# 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 Q C C 113.75 5.02 19.03 25.03 116.99 -154.38 -97.99 128.63 99.42 0.58 0.00 99.46 0.06 0.01 0.00 0.00 0.00 0.45 0.01 1 V C C 45.75 17.75 11.06 27.95 120.65 -163.58 -108.94 131.89 53.63 46.22 0.14 53.17 0.51 0.17 0.04 0.06 0.00 44.92 1.13 2 Q E E 103.58 4.57 19.73 25.27 120.62 -162.10 -111.94 131.43 22.95 76.81 0.24 21.00 1.53 0.29 0.10 0.13 0.00 74.64 2.30 3 L E E 59.10 16.88 12.17 28.43 117.85 -149.56 -99.56 130.88 31.08 68.63 0.28 28.57 1.81 0.34 0.10 0.18 0.00 66.53 2.47 4 Q C C 91.01 7.94 17.29 26.18 116.99 -164.60 -104.89 134.80 58.70 40.97 0.33 44.87 12.68 1.12 0.08 0.29 0.00 39.16 1.79 5 Q C C 95.98 8.41 15.68 25.16 119.67 -130.74 -104.99 134.23 85.64 14.19 0.16 56.32 28.03 1.34 0.02 0.17 0.00 13.25 0.86 6 P C T 76.10 9.29 16.01 25.81 111.43 -98.96 -68.23 145.27 87.50 11.62 0.88 27.17 23.66 36.50 0.06 1.03 0.00 10.93 0.64 7 G C T 35.01 9.78 17.62 27.47 113.84 2.22 101.65 -145.69 75.14 23.77 1.09 24.58 21.01 30.16 0.06 1.22 0.00 22.25 0.71 8 A C E 42.45 14.65 15.69 29.97 125.57 -33.45 -111.01 146.81 52.93 46.57 0.49 46.17 4.36 0.80 0.05 0.48 0.00 47.60 0.54 9 E E E 70.99 12.85 19.86 32.64 126.37 -161.15 -122.99 139.61 7.64 92.33 0.03 6.87 0.61 0.05 0.01 0.03 0.00 92.12 0.32 10 V E E 70.22 12.05 21.44 33.29 116.99 -136.63 -99.14 127.93 1.81 98.19 0.00 1.73 0.08 0.00 0.00 0.00 0.00 98.09 0.09 11 V E E 14.26 20.65 15.15 35.74 128.16 -173.80 -125.01 143.52 5.46 94.54 0.01 5.50 0.16 0.00 0.00 0.00 0.00 93.18 1.16 12 K C C 106.84 4.74 23.76 28.67 120.62 -128.76 -86.56 148.92 91.89 8.10 0.01 91.37 0.77 0.04 0.00 0.01 0.00 7.39 0.42 13 P C T 61.31 13.99 14.12 28.23 110.04 -86.61 -58.97 137.07 99.50 0.31 0.19 0.16 1.79 97.74 0.01 0.11 0.00 0.16 0.03 14 G C T 48.17 3.74 19.78 24.30 95.97 22.83 88.32 -6.14 99.67 0.19 0.14 0.24 1.97 97.57 0.01 0.09 0.00 0.12 0.01 15 A C C 36.46 10.53 16.18 28.00 122.47 125.10 -80.87 156.44 94.61 5.34 0.05 83.78 10.72 0.15 0.01 0.05 0.00 4.86 0.43 16 S E E 57.91 9.65 19.63 30.08 126.80 -137.79 -115.50 146.15 42.70 57.28 0.02 43.00 0.51 0.03 0.00 0.01 0.00 55.60 0.85 17 V E E 14.58 21.93 15.68 37.52 127.34 -167.30 -129.14 139.44 1.31 98.69 0.00 1.30 0.02 0.00 0.00 0.00 0.00 98.60 0.07 18 K E E 109.82 7.09 24.30 32.30 117.85 -147.88 -105.71 128.43 0.53 99.47 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.45 0.01 19 M E E 7.88 24.89 16.25 41.45 125.03 -171.10 -120.87 137.47 2.84 97.16 0.00 2.79 0.08 0.00 0.00 0.00 0.00 97.08 0.05 20 S E E 39.03 9.80 26.36 36.58 127.32 -163.31 -118.35 145.19 13.62 86.36 0.03 12.18 0.77 0.05 0.00 0.01 0.00 86.85 0.13 21 C E E 5.74 25.06 16.46 41.76 131.05 -176.18 -136.16 146.75 16.23 83.70 0.07 14.90 1.04 0.08 0.02 0.04 0.00 83.55 0.37 22 K E E 98.09 7.24 26.70 34.72 120.90 -156.54 -115.93 131.84 8.03 91.86 0.10 7.50 0.58 0.09 0.06 0.05 0.00 89.45 2.28 23 A E E 7.68 24.52 14.37 38.73 116.10 -165.40 -110.88 125.22 33.15 66.58 0.27 31.50 1.38 0.27 0.09 0.17 0.00 64.09 2.50 24 S C C 59.77 6.65 21.48 28.80 120.24 -167.44 -110.55 143.33 66.26 33.14 0.59 35.30 19.86 12.53 0.07 0.67 0.00 30.39 1.18 25 G C S 51.68 2.98 21.06 24.26 96.67 15.04 82.91 -1.54 85.64 13.93 0.43 14.53 53.88 16.82 0.03 0.51 0.00 13.43 0.81 26 Y C C 43.67 19.93 12.25 31.34 124.21 111.90 -105.33 145.70 82.08 17.37 0.55 60.21 18.40 3.35 0.10 0.62 0.00 14.35 2.97 27 T C C 77.98 5.74 23.55 29.73 116.51 -161.06 -110.65 123.48 83.61 15.93 0.45 68.53 11.37 3.14 0.09 0.50 0.00 12.81 3.55 28 F C C 33.06 21.36 13.79 34.28 121.52 -141.72 -110.01 134.80 78.52 20.46 1.01 63.52 11.75 2.60 0.22 1.01 0.00 15.37 5.53 29 T C S 78.79 5.73 22.38 28.53 100.49 -170.20 -93.90 -23.24 83.02 16.06 0.92 19.61 44.91 18.65 0.07 0.99 0.00 14.57 1.20 30 S C E 40.33 10.17 22.91 33.29 134.54 12.36 -144.62 149.86 64.68 34.30 1.02 21.33 25.94 17.77 0.08 1.10 0.00 32.75 1.05 31 Y E E 20.48 22.97 18.13 40.43 135.62 142.46 -142.13 150.86 42.18 57.59 0.23 35.45 5.21 0.56 0.04 0.22 0.00 57.66 0.87 32 S E E 14.78 15.49 27.02 42.74 128.54 -160.27 -123.30 146.20 11.48 88.50 0.02 10.81 0.55 0.05 0.00 0.02 0.00 88.17 0.40 33 M E E 3.10 26.54 22.05 48.94 124.46 -159.67 -120.41 135.86 2.32 97.68 0.00 2.17 0.13 0.01 0.00 0.00 0.00 97.64 0.06 34 H E E 30.06 17.24 28.13 44.77 128.68 -171.70 -126.03 142.94 0.61 99.38 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 35 W E E 7.33 24.53 22.77 47.25 121.90 -151.64 -109.83 137.23 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.00 36 V E E 12.18 18.71 23.82 42.40 129.27 -170.82 -126.49 144.41 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 37 K E E 52.89 14.55 22.47 36.79 121.57 -154.17 -111.80 133.62 0.63 99.37 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.43 0.01 38 Q E E 61.54 13.41 17.01 30.83 116.00 -141.54 -98.58 127.49 5.79 94.20 0.01 5.20 0.32 0.02 0.00 0.00 0.00 94.17 0.29 39 T C C 46.27 8.97 14.44 25.13 118.11 -155.48 -98.61 144.27 74.98 24.94 0.08 72.87 1.38 0.16 0.01 0.05 0.00 24.88 0.65 40 P C T 99.68 4.12 12.16 18.24 109.04 -92.77 -59.12 135.70 96.08 0.31 3.61 0.51 3.88 91.27 0.06 4.02 0.00 0.18 0.06 41 G C T 68.90 0.35 12.94 11.07 96.69 15.29 81.91 -3.87 96.18 0.10 3.71 0.56 3.84 91.31 0.08 4.11 0.00 0.06 0.03 42 Q C T 113.93 3.82 12.09 17.37 106.43 68.98 -106.71 -7.97 90.86 3.23 5.91 10.24 30.55 49.37 0.25 6.73 0.00 2.11 0.76 43 G C C 29.84 4.77 16.90 23.01 127.36 -120.37 92.52 -169.19 67.34 32.47 0.19 53.68 11.05 1.78 0.03 0.20 0.00 32.10 1.17 44 L E E 51.79 17.33 13.39 30.33 116.62 -27.09 -81.67 137.68 21.86 78.12 0.02 20.06 0.82 0.06 0.00 0.02 0.00 78.84 0.20 45 E E E 77.79 9.48 22.02 32.00 126.77 -170.04 -124.63 140.38 1.66 98.34 0.00 1.42 0.09 0.01 0.00 0.00 0.00 98.46 0.02 46 W E E 92.09 16.00 19.56 35.02 110.94 -114.24 -73.20 127.89 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 47 I E E 12.42 20.81 21.45 42.50 100.91 176.21 -101.32 -25.49 2.84 97.16 0.01 1.77 0.79 0.11 0.00 0.01 0.00 97.31 0.02 48 G E E 2.17 19.48 23.82 43.68 145.41 -42.40 168.75 173.89 1.76 98.24 0.00 1.14 0.31 0.04 0.00 0.00 0.00 98.50 0.01 49 A E E 18.40 16.43 25.79 42.13 132.81 -102.56 -138.28 148.43 1.79 98.20 0.00 1.58 0.08 0.00 0.00 0.00 0.00 98.29 0.04 50 I E E 8.35 22.94 18.57 42.07 119.36 -145.33 -112.55 128.96 3.06 96.93 0.01 2.74 0.23 0.01 0.00 0.01 0.00 95.92 1.09 51 Y C C 73.02 8.84 23.18 32.84 111.32 -152.33 -104.88 114.79 58.72 41.23 0.05 55.39 2.16 0.17 0.01 0.04 0.00 41.42 0.80 52 P C T 44.38 16.91 13.57 30.13 103.68 -137.77 -62.94 124.98 92.21 1.19 6.60 3.18 7.44 80.46 0.16 7.59 0.00 0.97 0.20 53 G C T 59.29 2.02 16.94 19.28 96.91 37.86 -42.81 -13.25 92.80 0.49 6.71 1.63 6.84 83.12 0.16 7.77 0.00 0.32 0.15 54 N C T 102.77 2.92 15.11 18.56 104.54 41.49 -106.20 -5.38 90.69 1.67 7.64 7.83 16.12 65.10 0.27 9.10 0.00 1.11 0.48 55 G C C 40.63 8.90 13.01 22.77 99.49 -121.55 82.85 3.92 93.08 5.61 1.31 39.65 23.23 30.44 0.16 1.28 0.00 4.42 0.81 56 D C C 84.47 4.31 18.40 23.62 119.05 124.82 -85.18 145.09 72.11 27.33 0.56 53.68 15.01 3.17 0.09 0.61 0.00 25.63 1.82 57 T E E 52.25 17.96 12.15 29.05 123.79 -157.99 -118.04 138.74 33.88 65.80 0.33 29.51 3.28 0.59 0.10 0.26 0.00 62.64 3.61 58 S E E 55.43 5.89 22.80 29.19 130.24 170.88 -131.58 147.52 19.32 80.45 0.23 15.35 4.08 0.48 0.08 0.16 0.00 77.62 2.23 59 Y E E 76.05 18.76 14.26 31.83 123.98 -146.71 -109.46 141.85 27.72 71.90 0.38 23.53 3.43 0.40 0.24 0.22 0.00 61.62 10.57 60 N C C 33.79 14.80 13.41 28.90 110.90 -117.27 -77.60 129.97 93.20 6.60 0.20 91.35 2.01 0.28 0.08 0.09 0.00 5.37 0.82 61 Q C T 140.23 1.94 16.82 19.51 91.84 -135.85 -62.18 -31.23 52.05 0.29 47.66 1.48 4.78 45.33 5.16 42.92 0.00 0.16 0.16 62 K C T 121.84 4.75 17.64 23.51 90.68 62.73 -68.34 -24.52 51.42 0.14 48.43 0.53 2.68 48.99 3.88 43.74 0.00 0.08 0.09 63 F C T 10.91 22.48 10.49 33.08 98.33 40.37 -103.30 -1.37 52.31 0.46 47.23 1.76 4.08 46.28 5.01 42.36 0.01 0.26 0.25 64 K C T 116.23 9.01 14.68 25.34 109.65 121.75 -61.64 129.64 81.15 1.31 17.55 3.12 3.24 76.28 5.39 10.42 0.01 0.68 0.85 65 G C T 62.82 1.18 18.81 18.98 94.52 15.47 79.33 -1.19 81.25 0.37 18.38 1.04 3.04 79.34 3.45 12.72 0.00 0.23 0.18 66 K C T 92.88 10.12 18.08 28.52 99.80 70.61 -102.16 -11.91 81.96 1.64 16.40 7.70 12.44 61.59 3.06 13.49 0.01 1.26 0.45 67 A E E 6.49 24.27 11.82 35.73 132.30 53.03 -126.52 150.47 36.43 62.67 0.91 29.63 6.18 0.99 0.40 0.52 0.00 59.98 2.31 68 T E E 64.56 6.42 26.43 33.65 130.87 -167.68 -132.76 144.23 4.99 94.92 0.08 4.53 0.39 0.06 0.03 0.04 0.00 94.38 0.56 69 L E E 18.65 24.32 15.15 39.16 123.16 -157.70 -117.73 132.90 4.47 95.48 0.05 4.15 0.26 0.03 0.01 0.02 0.00 95.38 0.14 70 T E E 64.86 6.08 26.59 33.26 125.01 -174.91 -127.11 137.69 5.25 94.72 0.04 4.59 0.45 0.05 0.01 0.02 0.00 94.69 0.19 71 A E E 21.85 22.47 12.54 34.02 123.94 -168.01 -117.22 137.28 10.27 89.58 0.14 8.73 1.41 0.22 0.04 0.10 0.00 88.46 1.04 72 D E E 66.02 6.37 20.00 27.15 108.13 -143.09 -96.19 112.11 45.50 54.32 0.18 42.50 1.94 0.32 0.04 0.13 0.00 53.55 1.53 73 K C T 114.89 10.44 13.70 25.22 93.33 -158.94 -65.01 -28.15 92.72 0.73 6.56 2.30 7.71 81.76 0.23 7.29 0.00 0.53 0.18 74 S C T 88.59 1.45 18.23 19.03 93.06 54.88 -75.84 -25.20 92.50 0.38 7.12 1.27 6.66 83.81 0.28 7.63 0.00 0.24 0.12 75 S C T 48.17 8.01 17.08 25.94 101.99 32.37 -103.16 -1.88 91.77 0.68 7.55 5.27 17.38 67.57 0.32 8.79 0.00 0.46 0.21 76 S C T 31.20 16.26 16.93 33.18 95.54 -134.84 61.81 27.86 97.80 1.57 0.63 25.01 20.14 52.62 0.08 0.60 0.00 1.33 0.21 77 T E E 31.89 11.99 23.52 36.63 126.63 125.08 -115.25 146.49 31.24 68.69 0.07 26.69 3.78 0.37 0.01 0.07 0.00 67.65 1.43 78 A E E 2.80 25.29 18.92 44.76 127.85 -166.63 -126.16 142.40 3.46 96.53 0.01 3.22 0.16 0.01 0.00 0.00 0.00 96.43 0.18 79 Y E E 52.14 13.54 27.44 41.36 125.38 -163.30 -121.69 137.68 1.51 98.49 0.00 1.29 0.07 0.00 0.00 0.00 0.00 98.62 0.01 80 M E E 3.40 26.11 20.27 47.02 122.39 -164.64 -116.17 132.44 0.43 99.57 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.00 81 Q E E 58.67 11.32 27.71 39.50 119.09 -161.87 -111.82 127.62 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.76 0.01 82 L E E 5.20 25.31 17.28 43.26 117.41 -164.69 -110.83 126.64 8.06 91.94 0.00 8.19 0.10 0.01 0.00 0.00 0.00 91.16 0.55 83 S C S 43.16 8.63 23.62 32.39 125.03 -163.07 -104.07 159.21 88.89 10.93 0.17 36.24 40.56 10.70 0.01 0.24 0.00 11.95 0.32 84 S C S 66.92 4.92 24.73 29.90 95.95 10.86 58.62 50.42 97.11 2.80 0.08 13.66 72.31 10.97 0.00 0.12 0.00 2.72 0.22 85 L C C 10.28 25.21 10.94 36.23 114.73 -156.28 -74.87 134.08 97.51 2.47 0.02 96.72 1.18 0.03 0.00 0.01 0.00 0.98 1.07 86 T C C 54.65 5.43 24.76 30.03 134.12 -173.47 -125.37 167.89 97.85 2.10 0.05 96.80 0.95 0.02 0.02 0.01 0.00 0.37 1.84 87 S H G 58.34 12.47 16.27 28.85 91.02 -95.69 -60.46 -31.95 8.71 0.06 91.22 0.63 0.82 6.59 2.95 88.96 0.00 0.04 0.01 88 E H G 125.16 3.91 21.79 26.44 90.52 61.26 -69.67 -19.86 7.14 0.09 92.77 0.48 0.64 5.54 2.51 90.74 0.00 0.07 0.01 89 D H G 17.28 20.87 16.78 37.39 95.28 58.30 -85.55 -2.57 7.70 0.17 92.13 1.99 1.28 3.57 2.68 90.34 0.00 0.12 0.02 90 S C C 25.86 18.85 21.10 39.03 109.97 102.15 -79.33 124.87 87.57 5.12 7.31 78.03 7.97 2.19 2.27 4.50 0.00 3.92 1.13 91 A E E 21.72 16.15 25.19 40.82 134.74 125.23 -138.66 169.78 31.04 66.10 2.86 24.06 5.89 2.29 1.37 1.70 0.01 60.71 3.97 92 G E E 10.65 19.03 25.10 43.17 126.67 -107.36 -112.34 150.97 11.68 87.28 1.04 9.91 1.53 0.54 0.51 0.47 0.00 86.16 0.87 93 Y E E 9.66 24.49 23.55 47.49 127.97 -159.07 -124.60 142.60 5.72 93.57 0.71 5.01 0.61 0.26 0.35 0.27 0.00 92.93 0.57 94 Y E E 29.78 19.70 27.65 46.29 126.79 -163.82 -121.43 142.00 9.93 88.70 1.37 8.03 1.35 0.64 0.54 0.54 0.00 88.35 0.54 95 C E E 3.83 24.93 23.28 48.00 124.35 -158.47 -117.47 138.59 23.42 73.72 2.87 18.61 3.50 1.69 1.12 1.26 0.00 72.79 1.03 96 A E E 13.34 18.14 24.56 42.21 127.01 -163.09 -118.32 144.99 27.78 68.40 3.83 21.77 4.79 2.51 1.63 1.90 0.01 65.65 1.74 97 R E E 66.60 16.19 20.75 36.11 119.04 -155.95 -107.35 136.38 39.00 56.13 4.87 26.64 10.03 5.76 1.77 2.99 0.06 50.07 2.68 98 G C C 24.54 11.97 18.08 30.09 123.71 94.75 -105.46 -160.68 63.08 30.47 6.45 32.08 19.01 14.62 1.30 4.66 0.03 26.26 2.04 99 D C T 97.39 5.83 17.17 23.79 103.78 -70.72 -85.03 6.26 79.03 11.34 9.63 22.46 27.65 30.61 1.60 7.15 0.03 8.77 1.75 100 Q C T 100.30 7.23 15.71 23.75 107.76 47.98 -92.47 33.54 81.05 8.31 10.64 20.91 27.13 34.48 1.90 7.86 0.03 5.81 1.88 101 Y C C 111.83 10.26 15.00 25.66 109.62 49.52 -95.54 87.88 75.87 15.85 8.28 27.97 24.68 25.43 1.81 5.79 0.06 11.34 2.92 102 Y C C 115.31 9.68 17.04 27.10 113.07 -151.42 -100.29 119.34 75.42 20.27 4.31 31.35 23.31 22.68 0.96 3.09 0.02 16.29 2.30 103 G C C 22.26 12.97 18.26 31.37 122.98 116.27 140.23 174.39 66.45 31.07 2.47 34.29 20.17 13.53 0.47 2.00 0.01 27.69 1.85 104 Y E E 75.23 14.94 19.85 34.36 126.93 -123.11 -120.13 143.21 47.89 49.56 2.55 35.05 9.32 4.50 0.95 1.73 0.01 44.90 3.54 105 F E E 39.40 18.78 19.21 37.53 125.68 -161.91 -119.83 138.14 37.62 59.32 3.06 28.42 7.13 3.25 1.68 1.63 0.01 53.11 4.75 106 D E E 52.98 13.54 22.02 35.23 116.76 -150.06 -104.12 124.50 47.86 48.57 3.57 37.65 6.44 3.56 1.68 1.82 0.01 46.52 2.33 107 F C E 50.53 18.14 18.77 36.05 111.20 -166.71 -99.28 106.82 55.96 36.98 7.07 27.62 15.80 15.50 2.69 4.09 0.09 31.06 3.15 108 W C T 91.40 14.70 19.56 33.23 106.67 28.30 -98.77 76.23 66.43 25.32 8.25 19.19 18.44 31.05 2.44 5.27 0.14 19.48 3.99 109 G C T 30.89 11.36 18.96 29.95 116.03 -27.87 84.51 -155.50 79.89 11.18 8.93 19.77 25.34 35.90 1.86 6.49 0.03 8.57 2.05 110 Q C T 104.69 8.25 20.02 28.23 101.56 -0.93 -89.16 13.12 81.24 10.59 8.17 18.92 25.65 37.71 1.72 5.86 0.02 8.09 2.03 111 G C C 23.93 13.55 18.63 31.73 120.56 -95.28 94.89 173.93 75.72 22.16 2.12 29.71 23.47 23.32 0.28 1.86 0.00 19.99 1.37 112 T E E 25.84 19.89 17.47 36.41 118.17 -110.66 -106.66 134.92 45.56 54.07 0.37 38.77 4.78 0.90 0.08 0.28 0.00 54.15 1.03 113 T E E 56.92 10.76 24.26 35.01 120.85 -153.34 -111.04 132.98 12.44 87.36 0.20 10.55 1.64 0.35 0.06 0.11 0.00 86.69 0.60 114 L E E 14.49 23.51 16.80 40.28 122.51 -166.22 -115.24 130.97 5.62 94.28 0.09 5.14 0.39 0.09 0.03 0.04 0.00 94.07 0.24 115 T E E 57.47 8.20 25.00 33.62 121.35 -161.87 -113.16 132.73 5.13 94.79 0.07 4.79 0.31 0.07 0.03 0.03 0.00 94.33 0.44 116 V E E 22.38 21.22 13.58 34.39 119.73 -159.98 -108.91 131.59 16.35 83.45 0.19 14.66 1.26 0.29 0.09 0.11 0.00 82.42 1.17 117 S C C 54.18 6.51 18.18 25.50 127.22 -171.81 -115.61 157.13 52.74 47.03 0.23 50.01 1.17 0.38 0.07 0.14 0.00 46.76 1.46 118 S C C 73.90 6.31 15.77 23.21 109.28 -97.03 -76.56 136.46 99.58 0.41 0.01 99.52 0.13 0.03 0.00 0.00 0.00 0.30 0.01