# 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 M C C 112.15 5.91 11.87 19.19 114.05 -152.56 -93.54 126.52 99.83 0.08 0.09 99.74 0.09 0.07 0.06 0.00 0.00 0.03 0.01 1 S C C 69.05 4.85 10.23 16.72 114.11 -162.35 -95.09 140.20 82.14 0.91 16.96 74.56 1.11 5.22 17.36 0.94 0.00 0.40 0.41 2 N C C 95.04 4.10 11.00 16.57 107.60 -135.73 -86.00 99.15 70.77 1.73 27.50 53.62 7.92 6.73 28.62 1.63 0.00 0.71 0.78 3 I H H 94.76 4.61 12.11 18.25 95.09 112.80 -66.34 -37.92 13.21 0.38 86.41 8.59 2.28 2.89 84.92 1.03 0.00 0.17 0.12 4 I H H 79.47 5.98 12.78 20.21 93.28 51.58 -66.57 -40.66 4.76 0.16 95.09 2.62 0.75 1.67 93.78 1.04 0.01 0.09 0.04 5 D H H 75.47 3.65 14.45 19.18 93.11 51.39 -65.84 -39.77 3.12 0.15 96.73 1.76 0.45 1.15 95.36 1.15 0.00 0.10 0.03 6 E H H 101.76 3.17 15.23 19.13 92.76 50.87 -65.69 -40.59 2.93 0.17 96.90 1.45 0.42 1.24 95.73 0.99 0.01 0.12 0.04 7 I H H 75.74 5.80 14.75 21.80 93.22 49.42 -66.19 -41.26 3.69 0.23 96.07 1.63 0.53 1.70 94.97 0.94 0.01 0.16 0.06 8 D H H 71.91 6.21 15.45 22.69 93.26 50.76 -66.61 -38.71 7.29 0.23 92.48 2.90 1.01 3.53 91.30 1.01 0.01 0.12 0.10 9 K H H 117.05 4.06 16.28 21.14 93.25 52.34 -66.73 -37.39 12.84 0.14 87.02 3.39 1.73 7.80 84.91 2.02 0.02 0.06 0.08 10 A H H 55.75 4.79 15.40 21.29 93.52 53.97 -69.27 -33.84 25.16 0.17 74.67 4.74 3.17 17.18 71.96 2.75 0.03 0.07 0.10 11 S H H 50.20 7.06 14.77 23.13 95.98 55.47 -76.35 -22.74 47.26 0.53 52.21 12.82 5.74 28.97 48.00 3.88 0.05 0.22 0.32 12 M C C 79.94 9.64 13.51 24.04 98.36 68.39 -74.20 -16.36 58.63 2.24 39.14 35.27 10.57 13.36 28.55 10.01 0.02 1.06 1.15 13 R C C 127.15 7.74 13.52 22.29 100.50 77.15 -77.83 -12.90 62.10 2.28 35.62 41.51 7.96 12.43 18.27 17.55 0.01 1.28 1.00 14 D C C 109.00 2.82 15.06 18.69 99.69 81.78 -81.79 -10.30 68.33 1.65 30.01 29.45 16.55 22.95 10.05 19.26 0.03 0.77 0.94 15 D C C 96.89 4.55 15.71 21.37 103.65 53.86 -95.59 30.16 79.08 1.26 19.66 40.85 15.36 22.63 4.30 15.55 0.00 0.60 0.69 16 I C C 44.98 18.20 10.66 27.98 117.27 130.75 -91.15 132.98 98.95 0.79 0.25 64.18 34.42 0.40 0.11 0.10 0.00 0.23 0.56 17 P C C 44.38 10.66 16.82 28.81 115.77 -111.32 -67.44 151.76 99.50 0.26 0.23 94.80 3.25 1.51 0.03 0.18 0.00 0.13 0.10 18 E C C 124.31 5.18 21.74 27.90 111.89 -108.71 -77.01 130.64 98.30 1.42 0.28 89.70 6.61 1.92 0.03 0.32 0.00 0.52 0.90 19 F C C 17.16 23.77 11.03 34.24 124.59 -159.99 -113.14 143.47 93.89 6.06 0.05 91.32 2.25 0.08 0.02 0.02 0.00 1.03 5.27 20 R C C 123.30 3.69 24.43 28.26 128.63 -157.33 -117.73 156.04 99.85 0.14 0.01 99.58 0.31 0.01 0.00 0.00 0.00 0.03 0.06 21 P C T 68.44 12.17 15.05 27.67 110.75 -81.94 -59.04 137.15 99.85 0.07 0.08 0.13 1.07 98.71 0.00 0.04 0.00 0.03 0.02 22 G C T 39.63 5.15 19.85 26.10 96.18 26.30 90.98 -7.05 99.92 0.04 0.04 0.18 1.12 98.65 0.00 0.02 0.00 0.02 0.00 23 D C C 35.71 12.65 16.56 30.59 119.11 130.58 -73.27 150.53 93.66 6.34 0.01 92.57 1.26 0.02 0.00 0.00 0.00 6.01 0.14 24 S E E 43.85 10.16 22.00 32.72 121.31 -131.84 -102.87 139.43 1.40 98.60 0.00 1.46 0.03 0.00 0.00 0.00 0.00 98.37 0.14 25 V E E 6.12 24.03 15.85 40.32 128.46 -170.55 -125.96 143.70 0.21 99.79 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 26 K E E 88.27 7.68 25.42 33.60 114.99 -135.08 -96.40 126.73 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 27 V E E 4.19 25.48 15.66 42.07 121.23 -166.68 -113.56 132.65 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.80 0.00 28 H E E 57.36 9.14 25.03 34.93 120.17 -163.43 -112.70 130.64 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 29 V E E 11.47 21.86 16.25 38.32 123.47 -168.27 -120.51 133.87 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 30 K E E 78.48 8.04 22.03 30.84 115.86 -149.31 -102.05 126.16 0.74 99.26 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.31 0.01 31 V E E 23.99 16.43 13.54 30.65 123.05 -169.04 -115.15 138.09 2.39 97.60 0.00 2.02 0.15 0.01 0.00 0.00 0.00 97.78 0.04 32 V E E 69.25 6.41 14.38 22.72 116.65 -142.96 -105.60 126.27 9.85 90.09 0.06 8.19 1.07 0.17 0.01 0.04 0.00 90.26 0.26 33 E E E 99.68 6.36 9.84 18.03 114.99 -176.77 -123.37 113.10 28.27 70.29 1.44 11.53 8.26 10.13 0.15 1.47 0.00 67.74 0.73 34 G C T 63.63 0.58 12.22 11.72 108.92 -41.35 65.08 -126.06 98.07 0.52 1.40 2.83 13.44 81.42 0.05 1.74 0.00 0.40 0.11 35 S C T 106.91 0.33 10.43 9.30 97.14 -28.63 -88.85 3.60 97.93 0.63 1.44 3.44 20.33 73.87 0.05 1.72 0.00 0.48 0.11 36 R E E 145.04 2.28 9.98 14.07 121.96 93.11 -103.79 143.88 24.41 75.45 0.15 13.75 10.53 1.59 0.02 0.14 0.00 73.10 0.85 37 T E E 88.28 5.73 9.82 17.70 119.36 -142.23 -102.03 135.06 14.35 85.63 0.02 12.12 1.01 0.12 0.00 0.02 0.00 86.59 0.14 38 R E E 102.57 6.42 13.85 22.20 128.34 -176.87 -129.64 147.55 3.36 96.63 0.00 2.95 0.17 0.02 0.00 0.00 0.00 96.82 0.04 39 V E E 80.30 8.93 14.35 24.63 119.11 -135.53 -101.94 132.36 1.10 98.90 0.00 1.03 0.02 0.00 0.00 0.00 0.00 98.93 0.01 40 Q E E 53.09 12.51 16.12 29.62 128.81 -175.70 -127.52 144.83 0.45 99.55 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 41 V E E 68.30 9.84 20.39 30.89 117.89 -138.62 -100.62 130.16 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 42 F E E 13.10 21.54 16.55 38.28 129.81 -174.19 -126.32 149.12 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 43 S E E 37.72 11.23 25.68 37.12 125.10 -150.71 -116.64 141.66 0.69 99.31 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.43 0.00 44 G E E 4.12 18.58 22.95 41.71 145.27 121.59 169.61 -172.57 1.36 98.64 0.00 0.93 0.16 0.00 0.00 0.00 0.00 98.90 0.01 45 I E E 37.47 13.11 26.55 40.62 122.20 -72.43 -111.32 137.19 0.35 99.65 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 46 V E E 5.98 24.46 18.32 43.79 109.65 -117.56 -74.99 124.71 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 47 I E E 40.06 13.27 23.97 37.84 100.78 173.74 -100.89 -28.78 0.47 99.53 0.00 0.32 0.06 0.00 0.00 0.00 0.00 99.61 0.00 48 S E E 32.74 8.55 25.66 35.38 142.88 -2.99 -159.68 155.83 0.44 99.56 0.00 0.32 0.04 0.00 0.00 0.00 0.00 99.63 0.00 49 R E E 75.19 20.02 14.41 33.01 127.25 -156.54 -130.90 134.53 2.44 97.56 0.00 2.31 0.08 0.00 0.00 0.00 0.00 97.49 0.11 50 T E E 71.34 5.90 19.00 25.94 126.52 -174.14 -128.27 145.34 31.37 68.59 0.04 26.69 3.31 0.27 0.01 0.04 0.00 69.17 0.51 51 G C C 47.77 3.19 15.66 19.85 121.64 22.68 100.44 -171.32 81.02 18.85 0.13 50.95 26.46 2.55 0.01 0.16 0.00 19.28 0.60 52 G C S 53.28 3.41 13.68 18.60 123.90 -95.41 -138.16 156.76 90.41 9.20 0.40 41.79 44.18 4.83 0.06 0.45 0.00 6.87 1.82 53 G C S 46.55 2.83 15.08 18.68 121.61 14.74 83.23 -157.03 93.58 2.84 3.58 6.88 67.90 19.10 0.26 3.11 0.00 1.67 1.08 54 V C T 103.26 5.70 13.87 20.67 94.05 -40.59 -72.67 -22.00 93.46 1.11 5.43 2.55 35.83 54.65 0.15 5.81 0.00 0.68 0.33 55 Q C T 99.20 7.13 16.54 24.46 99.91 52.87 -97.03 7.41 84.53 10.66 4.81 12.22 24.61 46.93 0.16 5.80 0.00 9.58 0.70 56 E C C 43.88 13.60 15.60 30.15 117.29 121.05 -82.42 140.92 64.39 35.16 0.46 58.90 3.38 0.76 0.05 0.39 0.00 36.02 0.50 57 S E E 20.64 13.08 21.63 35.49 135.77 168.37 -137.13 158.47 6.91 93.07 0.01 6.13 0.43 0.02 0.00 0.01 0.00 93.18 0.21 58 F E E 10.21 22.48 19.54 42.20 127.39 -151.56 -122.05 142.41 0.53 99.47 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 59 T E E 21.42 13.17 25.52 39.66 120.65 -150.43 -111.23 133.46 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 60 V E E 4.59 24.11 19.66 44.27 122.68 -165.99 -116.69 133.44 0.24 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 61 R E E 59.86 13.26 23.80 37.04 123.09 -167.67 -113.77 136.06 0.66 99.33 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 62 K E E 48.38 15.06 18.66 33.79 127.28 -172.16 -120.83 145.06 1.82 98.17 0.01 1.42 0.21 0.02 0.00 0.00 0.00 98.31 0.03 63 L E E 64.73 10.81 16.39 28.34 116.54 -139.77 -103.92 125.60 6.92 93.02 0.06 5.72 0.88 0.11 0.01 0.03 0.00 93.05 0.20 64 S E E 44.58 9.15 12.08 22.85 125.87 169.53 -135.27 136.20 15.09 84.54 0.37 10.17 4.01 1.51 0.09 0.29 0.00 82.88 1.05 65 F C T 178.59 1.26 13.97 15.26 94.25 -13.85 51.43 43.47 98.33 1.02 0.65 1.32 11.07 85.97 0.03 0.66 0.00 0.79 0.16 66 G C T 59.14 2.09 13.48 16.09 95.96 -48.42 82.39 0.38 99.17 0.40 0.43 1.35 11.26 86.54 0.02 0.46 0.00 0.30 0.06 67 T E E 66.70 6.26 14.57 22.49 123.73 100.38 -112.10 137.42 10.94 88.96 0.09 7.11 3.23 0.58 0.02 0.07 0.00 88.49 0.50 68 G E E 25.01 13.70 13.84 27.78 122.24 -148.10 -97.06 148.68 4.28 95.71 0.01 3.41 0.46 0.03 0.00 0.00 0.00 96.04 0.06 69 V E E 38.43 12.35 18.73 32.35 125.02 -164.76 -125.12 136.05 1.24 98.75 0.00 1.13 0.05 0.00 0.00 0.00 0.00 98.80 0.02 70 E E E 77.43 14.64 18.25 32.48 122.60 -158.03 -112.46 133.60 1.05 98.95 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.06 0.01 71 R E E 67.39 13.69 20.30 34.08 130.64 -174.56 -130.77 143.13 0.39 99.61 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 72 T E E 55.39 13.78 20.96 34.40 122.75 -153.01 -115.68 132.15 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 73 F E E 19.79 19.30 18.44 37.93 128.87 -173.04 -130.80 142.32 0.69 99.31 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.02 74 P E E 45.38 8.79 24.00 33.57 113.32 -108.32 -66.91 143.74 7.18 92.80 0.02 6.11 0.54 0.12 0.00 0.01 0.00 93.02 0.20 75 L C T 27.40 21.85 16.35 37.57 92.63 -116.96 -61.62 -28.70 95.03 3.94 1.03 7.20 13.30 74.51 0.06 1.17 0.00 3.41 0.36 76 H C T 94.21 9.82 22.45 32.66 94.60 58.75 -87.75 3.77 97.44 1.78 0.78 6.77 15.48 74.94 0.04 1.06 0.00 1.34 0.38 77 S C C 15.21 18.36 14.53 33.45 112.64 126.33 -71.95 132.89 96.64 3.00 0.36 63.10 32.79 1.01 0.07 0.32 0.00 1.43 1.27 78 P C T 77.60 6.65 22.03 29.67 93.01 -131.30 -66.97 -17.83 97.71 1.29 1.00 3.91 28.97 64.95 0.13 0.87 0.00 0.98 0.19 79 I C T 40.93 15.32 19.04 34.50 95.63 60.80 -87.91 -6.75 84.14 14.42 1.44 6.92 12.95 64.90 0.32 1.18 0.00 13.15 0.58 80 I E E 9.50 24.78 12.84 37.76 111.12 105.61 -82.19 120.40 10.43 89.50 0.07 9.97 0.48 0.05 0.03 0.03 0.00 88.68 0.76 81 D E E 77.02 5.67 22.90 29.25 99.91 176.27 -94.67 -32.80 9.39 90.53 0.08 7.18 1.54 0.08 0.02 0.03 0.00 91.08 0.07 82 K E E 85.80 5.94 25.07 32.01 140.70 1.35 -155.24 151.57 1.31 98.63 0.06 1.02 0.10 0.01 0.02 0.01 0.00 98.83 0.01 83 I E E 16.62 24.56 13.77 38.23 123.59 -159.26 -127.36 128.36 0.58 99.36 0.06 0.55 0.01 0.00 0.02 0.01 0.00 99.39 0.01 84 E E E 81.02 6.46 25.79 32.55 122.26 -170.00 -122.21 132.94 0.52 99.41 0.07 0.50 0.01 0.00 0.02 0.01 0.00 99.45 0.01 85 V E E 37.66 19.58 14.53 33.56 112.09 -138.64 -90.10 123.24 2.02 97.92 0.05 1.98 0.04 0.01 0.02 0.01 0.00 97.88 0.05 86 D E E 69.41 7.14 19.58 27.54 102.17 174.67 -98.63 -28.73 15.48 84.32 0.20 13.03 1.83 0.25 0.07 0.10 0.00 84.51 0.22 87 R E E 117.92 6.06 18.87 26.07 131.76 2.62 -142.64 145.16 28.27 71.27 0.46 22.33 5.52 0.80 0.16 0.27 0.00 70.31 0.61 88 H C C 104.14 11.90 13.51 25.71 119.67 -151.84 -112.34 133.13 60.07 38.98 0.95 48.23 8.65 1.99 0.28 0.62 0.00 39.17 1.06 89 G C C 30.75 7.96 14.65 23.69 128.22 162.59 -127.14 -160.52 86.09 10.65 3.26 49.96 29.52 7.01 1.41 1.71 0.00 9.21 1.18 90 A C C 84.52 2.75 17.18 20.39 105.69 -72.03 -83.53 95.57 86.94 6.92 6.14 58.79 22.40 5.90 3.82 2.42 0.00 5.22 1.45 91 V C C 56.25 14.29 10.50 24.49 118.29 96.14 -100.71 133.29 78.93 8.21 12.85 64.76 9.14 4.74 9.12 4.06 0.01 5.94 2.24 92 R C C 141.38 5.40 16.40 22.94 112.21 -162.20 -96.92 123.73 78.99 7.62 13.39 65.92 8.08 4.78 9.00 4.59 0.00 5.69 1.93 93 R C C 119.10 10.05 15.03 25.42 111.25 -121.39 -89.08 116.42 64.41 8.56 27.04 48.50 9.35 6.78 14.98 12.16 0.02 6.43 1.78 94 A C C 47.92 12.22 14.45 26.80 102.90 -119.04 -76.60 18.59 63.58 7.73 28.69 40.99 12.80 9.84 14.58 14.31 0.03 6.26 1.19 95 K C C 115.44 6.89 18.95 26.27 105.33 62.85 -90.54 65.92 59.23 13.14 27.63 40.50 9.93 9.07 13.63 14.09 0.04 11.11 1.63 96 L C C 39.03 17.96 13.38 30.70 110.46 91.50 -94.08 110.15 54.27 22.33 23.40 45.79 5.15 3.59 13.96 9.52 0.02 19.71 2.26 97 Y C C 107.02 9.26 19.37 28.89 99.81 152.98 -84.60 -28.93 42.63 26.57 30.80 25.28 8.49 9.52 16.94 13.81 0.11 23.85 2.00 98 Y C E 90.66 11.39 18.47 29.90 106.01 53.22 -95.80 9.15 35.93 34.17 29.91 18.19 8.08 12.15 14.13 15.05 0.39 29.57 2.44 99 L C E 33.80 18.46 14.26 32.03 99.24 96.23 -92.02 -0.73 35.43 34.24 30.33 24.27 5.82 6.98 14.44 15.97 0.13 29.50 2.90 100 R C T 117.99 9.74 15.72 26.31 110.29 128.25 -69.95 129.76 59.34 25.08 15.59 13.55 8.02 38.53 9.36 6.50 0.26 21.13 2.65 101 G C T 54.54 3.03 18.39 21.71 97.39 17.94 76.82 3.21 79.07 8.72 12.21 14.76 17.17 47.21 5.10 6.69 0.06 7.83 1.19 102 R C C 77.42 14.77 9.96 24.41 114.73 133.41 -83.67 134.01 83.16 7.03 9.81 65.71 11.48 5.62 6.36 3.71 0.01 5.10 2.02 103 R C C 155.40 3.36 15.65 20.46 118.02 -160.82 -104.81 144.61 73.51 6.76 19.73 42.90 14.66 15.58 15.10 5.14 0.05 3.65 2.91 104 G C H 41.07 4.40 16.28 21.60 118.71 10.94 79.26 -158.91 59.96 1.95 38.08 15.71 20.95 24.57 27.04 9.69 0.14 0.98 0.92 105 K H H 132.54 4.75 15.72 21.69 94.67 -35.68 -67.20 -31.63 37.46 1.80 60.75 12.84 9.59 15.67 43.92 16.09 0.14 1.16 0.59 106 A H H 45.10 8.84 14.85 25.01 93.84 58.59 -67.04 -33.65 30.31 3.03 66.66 13.25 6.43 11.26 48.43 17.58 0.12 2.25 0.68 107 A H H 30.80 10.80 14.10 26.39 95.45 58.54 -70.77 -26.88 30.62 4.49 64.89 17.97 5.82 7.94 49.48 14.43 0.05 3.48 0.82 108 K H H 103.98 6.07 18.23 24.87 100.14 61.21 -74.16 -28.59 34.79 8.02 57.18 22.40 6.50 7.69 46.48 9.20 0.06 6.33 1.35 109 I H H 61.80 11.20 14.30 26.23 97.63 69.94 -71.64 -35.39 34.56 9.07 56.37 23.67 6.48 6.35 49.38 5.43 0.08 7.04 1.56 110 K H H 108.78 7.22 15.64 23.71 97.45 57.37 -72.34 -31.06 40.37 7.79 51.83 27.32 6.81 7.20 46.80 4.46 0.04 6.04 1.33 111 E C H 106.21 5.81 13.85 20.91 99.54 59.95 -77.06 -21.57 49.32 5.97 44.71 31.87 8.39 9.45 40.41 4.34 0.04 4.20 1.31 112 R C H 136.05 5.54 12.84 19.75 102.87 62.18 -81.32 -2.52 56.33 2.99 40.68 32.31 11.62 12.51 36.33 4.54 0.03 1.70 0.97 113 G C C 42.41 5.88 12.01 19.24 105.94 28.00 -20.32 -29.41 63.32 1.47 35.22 27.45 13.52 22.82 26.44 8.35 0.03 0.73 0.66 114 S C C 75.72 4.14 11.31 16.90 101.86 59.52 -81.03 -0.51 66.77 1.61 31.62 26.97 13.89 26.88 20.77 9.87 0.02 0.78 0.81 115 A C C 74.72 4.18 9.68 15.54 103.41 82.22 -83.00 14.43 75.91 1.38 22.71 53.27 3.53 20.19 15.49 5.99 0.00 0.76 0.76 116 R C C 151.87 4.16 11.60 17.42 104.48 83.73 -83.28 33.54 99.87 0.05 0.08 99.66 0.12 0.13 0.04 0.01 0.00 0.02 0.01