# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 V C C 41.95 18.42 14.57 32.15 122.47 -166.20 -112.41 131.65 98.39 1.61 0.01 98.48 0.07 0.01 0.00 0.00 0.00 1.42 0.02 1 Q E E 98.09 5.95 20.48 27.33 120.65 -159.00 -110.28 132.48 41.02 58.83 0.15 40.55 0.44 0.17 0.05 0.07 0.00 57.96 0.76 2 L E E 55.38 17.47 13.40 30.27 118.31 -149.16 -100.57 130.52 19.00 80.74 0.26 17.33 1.27 0.33 0.08 0.16 0.00 80.12 0.72 3 V E E 55.63 10.06 19.13 30.17 123.49 -166.95 -116.56 136.08 12.88 86.70 0.42 11.55 1.07 0.37 0.15 0.25 0.00 85.51 1.11 4 Q E E 89.49 12.32 16.68 29.09 120.88 -148.59 -106.25 134.95 25.49 73.44 1.07 21.70 2.85 0.93 0.31 0.67 0.00 72.63 0.91 5 S C C 38.08 13.77 14.56 28.52 121.48 -153.68 -101.37 154.57 60.17 38.18 1.65 46.38 9.97 2.49 0.37 1.21 0.00 38.79 0.79 6 R C C 153.47 4.74 19.71 24.90 103.23 -127.48 -89.61 34.96 70.43 27.69 1.88 46.97 19.03 4.18 0.49 1.34 0.00 26.97 1.02 7 A C C 37.07 16.22 13.36 29.06 117.52 103.95 -83.61 141.54 62.05 35.21 2.74 46.35 12.76 3.15 0.72 1.96 0.00 33.49 1.56 8 E E E 96.70 8.83 20.04 29.32 117.56 -161.34 -101.71 133.24 48.17 49.02 2.81 36.91 9.61 2.75 0.96 1.79 0.00 44.98 3.01 9 V C E 47.75 15.88 16.21 31.85 115.93 -139.60 -103.33 122.65 49.13 48.86 2.01 42.11 5.34 1.84 0.88 1.16 0.00 44.36 4.31 10 K C C 95.59 10.74 18.11 29.05 106.32 175.79 -104.24 -10.82 71.56 27.61 0.83 57.23 13.10 1.71 0.30 0.59 0.00 24.19 2.87 11 K C C 110.87 4.53 21.35 26.37 128.66 9.25 -128.55 149.79 93.35 6.40 0.24 58.79 33.77 1.29 0.07 0.18 0.00 4.32 1.58 12 P C T 70.71 11.49 14.24 26.28 110.96 -87.93 -60.13 138.07 98.59 0.94 0.47 1.60 4.54 92.64 0.04 0.36 0.00 0.64 0.18 13 G C T 48.14 4.05 19.05 23.90 95.72 22.92 86.80 -5.48 99.07 0.65 0.28 2.06 4.84 92.21 0.02 0.25 0.00 0.56 0.06 14 A C C 32.81 10.76 15.11 27.48 120.50 129.84 -78.94 154.51 88.72 11.09 0.20 74.62 13.25 0.62 0.03 0.20 0.00 10.23 1.04 15 S E E 59.40 8.79 19.99 29.67 126.75 -137.80 -112.37 145.60 44.56 55.39 0.06 42.23 1.56 0.12 0.01 0.04 0.00 54.90 1.14 16 V E E 14.66 22.17 15.09 37.19 127.52 -166.95 -128.67 138.72 5.76 94.23 0.01 5.58 0.19 0.01 0.00 0.00 0.00 94.03 0.19 17 K E E 109.55 6.55 24.62 32.03 118.04 -147.51 -105.32 128.49 1.98 98.01 0.01 1.93 0.06 0.01 0.00 0.00 0.00 97.93 0.06 18 V E E 5.62 25.35 15.61 41.54 122.93 -169.79 -119.19 133.41 2.18 97.81 0.01 2.08 0.07 0.01 0.00 0.00 0.00 97.74 0.10 19 S E E 40.52 8.94 26.52 35.99 127.39 -165.39 -116.49 143.73 7.18 92.79 0.03 6.52 0.37 0.03 0.01 0.01 0.00 92.98 0.10 20 C E E 6.56 25.14 15.86 41.21 130.31 -172.90 -132.79 143.05 10.93 89.00 0.07 10.14 0.53 0.05 0.02 0.03 0.00 89.00 0.22 21 E E E 93.49 6.69 26.61 33.99 120.69 -161.16 -113.58 132.68 7.93 91.91 0.16 7.18 0.74 0.17 0.07 0.08 0.00 90.54 1.23 22 A E E 9.88 23.66 13.74 36.97 115.69 -166.95 -111.06 119.38 33.49 65.94 0.57 31.06 1.95 0.53 0.17 0.40 0.00 63.97 1.92 23 S C E 62.24 6.26 20.05 27.13 119.26 -169.27 -100.24 142.39 61.21 37.97 0.83 31.58 20.33 11.38 0.10 0.83 0.00 34.38 1.38 24 G C S 55.03 2.35 20.19 22.34 96.85 13.10 82.54 -0.45 81.36 17.92 0.73 13.94 50.83 16.01 0.05 0.76 0.00 17.37 1.03 25 Y C C 56.45 17.54 11.88 28.91 125.90 109.09 -108.52 149.21 77.19 21.78 1.03 53.91 19.01 4.51 0.19 1.11 0.00 17.96 3.32 26 N C C 93.73 5.10 22.45 28.21 118.64 -149.54 -110.84 131.01 79.59 19.47 0.94 61.74 12.47 4.57 0.18 0.98 0.00 15.84 4.22 27 F C C 31.51 21.95 13.38 34.36 115.26 -167.21 -111.63 120.46 76.59 21.83 1.58 62.02 9.71 3.80 0.42 1.38 0.00 15.25 7.42 28 V C T 78.07 6.24 21.06 27.88 123.32 174.19 -112.55 143.69 82.55 16.02 1.43 19.21 25.43 38.89 0.21 1.35 0.00 12.62 2.28 29 D C T 86.72 6.02 21.62 28.08 95.81 8.49 63.68 29.92 86.61 12.39 0.99 10.34 36.23 39.84 0.07 1.00 0.00 11.86 0.66 30 H C C 24.97 20.17 16.18 36.01 129.24 115.81 -116.80 151.56 65.00 34.72 0.28 49.82 13.36 0.97 0.04 0.27 0.00 34.55 0.99 31 Y E E 46.41 13.68 26.22 40.24 125.67 -150.06 -118.56 141.37 13.89 86.09 0.02 13.29 0.55 0.04 0.00 0.01 0.00 85.59 0.50 32 I E E 2.65 26.65 21.46 48.78 121.19 -155.33 -114.22 130.80 1.72 98.27 0.00 1.64 0.05 0.00 0.00 0.00 0.00 98.27 0.04 33 H E E 26.10 17.29 28.08 44.95 126.96 -171.92 -121.94 142.29 0.47 99.53 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.55 0.00 34 W E E 5.85 25.13 23.06 48.20 122.75 -155.93 -110.35 137.28 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 35 V E E 10.85 19.10 24.83 43.70 131.00 -172.28 -128.81 145.39 0.33 99.67 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.69 0.00 36 R E E 44.57 17.35 22.58 39.26 123.04 -154.31 -113.81 136.30 0.64 99.36 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.41 0.01 37 Q E E 52.11 13.46 18.88 32.84 118.28 -148.10 -105.03 129.58 8.29 91.71 0.01 7.81 0.29 0.01 0.00 0.00 0.00 91.31 0.57 38 A C C 28.71 10.82 14.77 27.21 119.28 -131.13 -78.36 154.76 97.48 2.48 0.03 96.41 1.14 0.15 0.00 0.02 0.00 2.01 0.26 39 P C T 93.72 5.42 12.86 20.05 109.61 -81.22 -58.90 135.44 99.51 0.11 0.38 0.28 3.18 96.07 0.01 0.37 0.00 0.07 0.02 40 G C T 67.77 0.41 13.65 11.80 95.35 18.13 83.21 -2.72 99.51 0.08 0.41 0.41 3.22 95.84 0.01 0.45 0.00 0.05 0.01 41 Q C S 91.73 5.86 10.30 18.16 129.61 94.83 -113.60 162.94 96.50 2.95 0.55 43.42 51.39 1.69 0.09 0.48 0.00 1.07 1.86 42 R C C 167.15 1.71 17.67 19.05 116.41 -96.17 -75.03 149.95 96.95 3.01 0.04 81.20 15.82 0.25 0.01 0.03 0.00 2.11 0.58 43 P C C 43.81 18.60 11.66 29.54 115.01 -95.98 -66.25 144.01 82.12 17.87 0.02 80.74 1.49 0.08 0.00 0.01 0.00 17.35 0.32 44 Q E E 77.15 8.85 21.68 31.10 125.29 -160.72 -121.00 139.32 7.16 92.82 0.01 6.43 0.53 0.02 0.00 0.01 0.00 92.64 0.37 45 W E E 100.58 14.97 19.55 34.10 110.90 -114.43 -72.73 128.43 0.81 99.19 0.00 0.77 0.03 0.00 0.00 0.00 0.00 99.17 0.03 46 V E E 10.82 20.69 20.57 41.67 100.73 175.99 -102.16 -23.45 4.43 95.57 0.01 2.88 1.37 0.08 0.00 0.01 0.00 95.64 0.02 47 G E E 2.70 18.32 23.48 42.44 145.41 -46.86 163.44 172.18 0.92 99.08 0.00 0.69 0.11 0.01 0.00 0.00 0.00 99.17 0.01 48 W E E 54.74 16.14 25.01 40.90 134.65 -107.71 -139.36 152.50 0.79 99.21 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.22 0.04 49 M E E 16.71 20.79 19.12 39.94 120.24 -141.91 -110.26 131.06 5.57 94.42 0.01 4.98 0.43 0.02 0.00 0.01 0.00 93.74 0.82 50 N C C 40.05 9.94 20.68 32.13 109.80 -153.70 -105.63 109.12 69.30 30.64 0.06 65.58 2.48 0.19 0.01 0.05 0.00 30.98 0.72 51 P C T 50.75 14.99 13.70 29.04 93.55 -161.61 -65.86 -23.22 91.47 1.25 7.28 4.14 11.18 75.04 0.31 8.07 0.00 0.95 0.30 52 R C T 172.77 1.90 16.45 18.39 95.29 56.03 -79.44 -17.54 91.48 0.76 7.76 2.13 10.08 78.28 0.36 8.35 0.00 0.48 0.31 53 G C T 47.38 3.82 14.10 18.86 103.10 32.32 -100.85 -4.59 89.02 1.87 9.11 8.62 18.79 60.39 0.48 9.92 0.00 1.17 0.62 54 G C C 45.52 5.91 13.93 21.02 103.19 -113.62 82.65 2.37 93.84 4.22 1.95 39.36 20.72 34.01 0.30 1.69 0.00 3.12 0.79 55 G C C 37.20 6.68 16.46 24.04 122.97 -43.95 88.32 101.54 75.58 22.85 1.57 46.55 20.63 8.70 0.29 1.41 0.00 20.62 1.81 56 V E E 69.73 13.10 15.30 28.39 120.98 -117.54 -112.01 137.70 39.58 59.10 1.32 32.97 5.24 1.42 0.57 0.83 0.00 56.02 2.94 57 A E E 44.35 10.95 19.60 30.98 124.73 -171.94 -120.05 139.71 18.13 79.85 2.02 14.24 3.64 1.45 1.04 1.07 0.00 75.40 3.15 58 Y E E 76.70 15.90 17.26 32.59 120.87 -142.11 -102.54 139.82 25.61 62.85 11.54 18.42 5.71 4.18 4.07 6.79 0.02 57.93 2.89 59 S C C 21.50 16.96 14.55 31.54 112.95 -124.52 -79.99 138.99 50.42 19.08 30.50 36.57 7.36 7.06 4.69 24.55 0.01 18.78 0.98 60 Q C G 119.57 5.65 18.70 25.56 96.86 -146.78 -74.56 -18.19 45.71 11.84 42.44 20.25 11.23 17.21 5.07 35.11 0.05 9.86 1.20 61 R C G 135.29 5.82 20.24 26.63 98.00 66.87 -83.20 -13.01 46.68 12.72 40.59 19.15 11.13 19.42 5.22 33.32 0.12 10.03 1.61 62 F C C 25.35 22.64 10.99 32.36 106.51 85.19 -94.50 89.81 59.91 17.86 22.23 40.22 11.71 9.05 4.53 17.27 0.02 13.23 3.96 63 Q C C 110.98 5.64 19.18 26.32 121.35 144.38 -110.99 133.75 78.91 17.32 3.77 39.80 17.44 23.23 1.17 2.53 0.01 12.51 3.31 64 G C S 43.78 3.42 20.14 23.91 119.75 17.40 85.69 -152.81 87.76 11.05 1.18 4.16 46.77 36.55 0.07 1.08 0.00 10.89 0.48 65 R C E 116.90 9.23 19.68 29.05 110.52 -9.64 -93.82 121.43 56.63 42.68 0.69 22.20 16.56 17.63 0.06 0.73 0.00 42.18 0.64 66 V E E 13.99 23.39 13.06 35.98 125.92 94.23 -119.63 138.84 7.55 92.44 0.01 6.89 0.45 0.02 0.00 0.01 0.00 92.19 0.44 67 T E E 62.03 6.65 26.37 33.50 124.62 -166.90 -121.23 138.28 1.68 98.31 0.00 1.54 0.07 0.01 0.00 0.00 0.00 98.26 0.12 68 M E E 20.18 24.19 14.51 38.36 124.69 -166.48 -120.89 136.21 3.24 96.74 0.02 2.93 0.17 0.02 0.00 0.01 0.00 96.76 0.11 69 T E E 63.91 6.27 25.63 32.48 127.59 -174.18 -128.07 142.61 9.30 90.65 0.05 8.18 0.94 0.12 0.01 0.03 0.00 90.38 0.34 70 R E E 75.45 19.29 14.10 32.22 125.60 -165.66 -117.37 138.80 34.11 65.76 0.13 28.82 4.94 0.38 0.03 0.11 0.00 64.10 1.61 71 D C C 59.37 7.87 18.30 27.18 111.75 -139.87 -95.25 122.88 87.37 12.52 0.10 84.81 2.26 0.38 0.02 0.08 0.00 11.46 1.00 72 T C T 84.59 8.58 14.63 24.59 92.70 -146.90 -70.04 -17.80 98.60 0.71 0.68 3.35 23.99 71.22 0.04 0.71 0.00 0.54 0.14 73 S C T 79.31 2.59 19.04 21.54 93.48 58.74 -85.94 -10.92 98.55 0.74 0.71 2.46 25.53 70.58 0.04 0.71 0.00 0.51 0.16 74 I C S 39.67 15.87 13.32 29.30 120.57 65.95 -107.97 138.86 94.27 4.91 0.81 33.29 55.02 6.03 0.12 0.80 0.00 2.67 2.06 75 D C S 71.85 10.57 20.43 31.31 98.81 -156.53 -93.00 -4.27 96.96 2.88 0.16 12.48 79.69 4.75 0.01 0.16 0.00 2.64 0.28 76 T C E 37.80 11.58 22.89 35.35 133.53 57.18 -132.42 149.41 50.85 48.99 0.16 33.08 17.83 1.54 0.03 0.19 0.00 45.65 1.68 77 A E E 3.03 24.69 18.15 43.52 128.18 -164.94 -128.12 143.05 18.71 81.25 0.04 17.62 0.84 0.08 0.01 0.03 0.00 80.97 0.46 78 Y E E 52.79 12.69 26.80 40.08 123.67 -156.46 -117.65 135.50 3.76 96.23 0.01 3.32 0.21 0.02 0.00 0.00 0.00 96.37 0.07 79 M E E 3.68 25.90 19.65 46.23 122.64 -165.44 -116.86 132.78 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.00 80 Q E E 58.02 10.81 27.57 38.98 119.08 -158.50 -110.29 127.85 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.73 0.02 81 L E E 4.95 25.48 17.20 43.43 118.16 -164.64 -111.66 126.59 9.60 90.39 0.01 9.85 0.07 0.00 0.00 0.00 0.00 89.37 0.70 82 N C S 59.89 8.44 24.25 32.79 129.71 -171.75 -117.91 156.94 68.30 31.52 0.17 28.50 33.22 5.00 0.01 0.23 0.00 32.77 0.28 83 R C S 137.53 4.94 24.60 30.03 95.18 11.38 58.16 49.27 82.79 17.16 0.05 19.08 58.36 4.88 0.00 0.08 0.00 17.24 0.35 84 L C C 8.05 25.66 10.75 36.55 116.41 -158.48 -74.32 139.09 83.05 16.93 0.01 83.82 0.67 0.02 0.01 0.01 0.00 11.34 4.14 85 T C C 61.06 5.40 24.75 30.09 132.45 -171.75 -124.23 160.10 89.83 10.13 0.05 90.13 0.59 0.05 0.02 0.02 0.00 3.86 5.33 86 S C T 65.13 11.12 16.10 27.43 99.80 -96.60 -61.58 -14.69 99.20 0.45 0.35 0.48 2.85 96.01 0.01 0.31 0.00 0.24 0.10 87 G C T 52.45 2.74 20.92 23.62 94.49 47.91 -68.35 -3.52 99.54 0.27 0.19 0.79 3.37 95.39 0.00 0.23 0.00 0.19 0.03 88 D C C 24.13 18.69 14.65 33.39 113.62 122.12 -71.60 136.39 96.92 3.02 0.06 94.42 2.62 0.12 0.01 0.05 0.00 2.48 0.30 89 T E E 57.64 11.55 24.17 35.56 124.82 -163.99 -117.29 138.98 34.54 65.41 0.05 34.53 0.67 0.07 0.01 0.03 0.00 62.25 2.43 90 A E E 7.43 21.78 21.11 42.48 135.41 150.43 -134.25 162.20 5.85 94.13 0.01 5.06 0.51 0.03 0.00 0.01 0.00 94.17 0.21 91 V E E 23.89 16.94 26.70 43.52 119.58 -123.57 -105.54 133.02 0.90 99.09 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.10 0.02 92 Y E E 4.16 26.24 23.12 49.38 123.34 -164.99 -113.91 137.01 0.68 99.32 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.36 0.01 93 Y E E 20.90 20.00 28.36 47.49 129.44 -171.77 -126.94 145.11 1.97 98.01 0.02 1.63 0.12 0.01 0.00 0.00 0.00 98.19 0.04 94 C E E 2.30 25.90 24.44 50.08 131.49 -170.30 -131.50 147.95 6.66 93.11 0.23 5.47 0.66 0.13 0.07 0.08 0.00 93.41 0.17 95 A E E 8.55 19.71 26.15 45.37 130.99 -163.92 -126.63 147.96 14.37 84.40 1.23 11.69 2.15 0.77 0.48 0.54 0.00 83.78 0.59 96 T E E 16.11 20.40 21.60 41.53 128.23 -162.47 -125.49 143.44 24.07 73.34 2.59 18.84 4.65 1.91 1.19 1.25 0.01 70.74 1.42 97 Q E E 63.96 11.97 22.15 34.18 116.86 -141.14 -99.56 131.31 38.67 57.20 4.13 31.03 5.89 2.50 1.85 2.01 0.01 55.13 1.59 98 V C E 45.15 14.50 15.62 30.51 117.51 -155.79 -101.64 132.44 49.36 42.48 8.16 35.88 9.43 5.57 3.34 4.32 0.05 39.14 2.27 99 K C C 107.60 6.70 16.07 23.89 114.39 -142.26 -94.76 130.86 59.71 31.93 8.36 40.95 11.93 8.01 3.11 4.93 0.06 27.80 3.21 100 L C C 89.78 8.47 11.42 21.03 109.54 -144.46 -89.24 122.62 69.33 19.90 10.77 35.56 18.07 17.68 3.18 7.19 0.08 14.87 3.38 101 D C T 104.42 3.23 12.46 16.92 107.45 -22.74 -92.11 75.69 83.13 8.01 8.87 30.00 24.35 30.08 2.05 6.26 0.02 5.15 2.10 102 S C T 74.93 4.43 10.35 16.44 109.42 94.27 -91.57 109.62 88.03 3.45 8.52 25.79 28.44 34.49 1.69 6.34 0.01 1.87 1.37 103 S C T 87.41 2.40 11.76 15.34 101.91 -5.95 -86.42 7.59 87.56 4.83 7.61 30.40 27.11 30.75 1.39 5.94 0.01 2.64 1.77 104 A C C 69.17 5.05 11.58 18.15 108.36 86.09 -91.46 83.80 84.06 9.42 6.52 32.25 26.92 26.14 1.22 5.09 0.02 5.65 2.71 105 G C C 39.58 6.84 14.21 22.23 118.39 -130.08 116.32 172.53 84.84 11.81 3.35 41.60 27.80 16.20 0.62 3.00 0.01 7.68 3.09 106 Y C C 95.45 11.59 14.37 26.56 118.67 -90.62 -101.46 134.66 83.06 14.76 2.18 56.64 21.57 4.96 0.68 1.70 0.00 10.30 4.15 107 P C C 61.08 10.98 18.31 29.59 104.87 -142.76 -74.96 54.77 79.80 15.16 5.04 46.65 20.10 13.83 1.39 3.69 0.01 11.75 2.58 108 F C C 54.76 17.12 16.77 33.19 120.71 4.89 -107.18 137.43 63.57 27.70 8.73 37.00 17.08 11.61 3.16 5.43 0.10 20.46 5.16 109 D C C 58.55 12.87 21.02 33.54 112.46 -144.69 -94.80 117.05 61.06 29.80 9.15 46.40 9.04 5.75 4.22 4.88 0.03 25.45 4.23 110 I C C 48.93 17.58 19.92 36.21 105.01 -170.80 -90.40 -4.75 52.15 34.25 13.61 27.73 12.67 14.02 6.31 7.01 0.29 25.79 6.17 111 W C C 62.00 18.55 19.37 36.37 104.08 48.72 -93.17 10.11 55.94 31.79 12.26 26.14 13.00 19.19 4.92 6.95 0.27 21.47 8.07 112 G C C 21.87 13.85 20.39 33.68 118.18 -138.97 71.47 -154.31 74.64 17.66 7.70 36.41 20.51 19.37 1.97 5.36 0.03 13.10 3.24 113 Q C S 101.44 8.51 22.49 30.96 99.70 -36.12 -84.43 11.47 77.71 17.58 4.71 28.89 29.83 20.47 0.98 3.40 0.02 13.87 2.54 114 G C C 14.82 17.64 18.50 34.99 123.06 -119.11 87.51 175.86 70.57 28.62 0.81 41.28 21.51 7.76 0.10 0.81 0.00 27.43 1.11 115 T E E 26.75 17.97 20.46 37.86 123.47 -96.17 -110.42 140.44 21.99 77.95 0.06 19.30 1.96 0.17 0.01 0.05 0.00 77.96 0.54 116 M E E 73.95 12.85 22.75 35.22 117.26 -141.22 -101.17 128.93 1.78 98.21 0.00 1.63 0.10 0.01 0.00 0.00 0.00 98.15 0.12 117 V E E 20.75 20.43 16.77 36.94 122.14 -167.64 -115.52 131.81 1.61 98.38 0.00 1.57 0.04 0.00 0.00 0.00 0.00 98.31 0.08 118 T E E 62.15 8.20 22.39 31.05 119.74 -157.95 -107.92 133.18 8.77 91.23 0.01 8.75 0.14 0.01 0.00 0.00 0.00 90.61 0.47 119 V C C 25.90 20.48 15.01 34.89 114.48 -151.75 -97.02 125.14 98.18 1.82 0.00 98.39 0.06 0.00 0.00 0.00 0.00 1.52 0.02