# 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 G C C 40.90 6.11 14.71 22.05 117.61 -121.39 91.14 -175.39 99.91 0.08 0.01 99.79 0.11 0.04 0.00 0.00 0.00 0.04 0.01 1 A C C 77.86 4.59 12.37 18.48 105.46 -59.69 -83.42 45.89 95.06 4.13 0.81 88.81 1.48 4.97 0.21 0.41 0.00 3.42 0.70 2 M C C 125.82 3.91 13.34 18.79 109.55 45.17 -89.68 112.56 85.59 13.35 1.06 57.29 19.80 8.03 0.16 1.07 0.00 12.57 1.08 3 G C C 31.32 9.55 15.29 25.46 122.40 -127.85 116.13 171.73 66.81 32.60 0.59 49.14 13.93 2.53 0.07 0.59 0.00 33.01 0.73 4 R E E 47.15 16.74 15.89 32.61 125.00 -104.96 -113.30 143.71 18.93 80.96 0.10 16.94 1.46 0.15 0.02 0.07 0.00 80.93 0.44 5 R E E 92.78 10.46 23.77 34.34 119.57 -150.45 -110.14 129.29 2.84 97.15 0.01 2.52 0.18 0.01 0.00 0.00 0.00 97.20 0.07 6 L E E 4.42 25.20 18.55 44.37 121.67 -163.68 -112.25 131.12 0.79 99.21 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.23 0.01 7 V E E 23.96 13.77 27.43 42.01 117.13 -158.90 -108.77 124.96 0.28 99.72 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 8 L E E 2.42 26.07 23.34 49.75 117.44 -161.86 -108.03 125.51 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 9 Y E E 16.05 19.98 27.89 47.24 116.16 -160.26 -106.15 124.41 0.23 99.77 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.01 10 V E E 5.74 23.84 22.69 46.02 129.63 -173.06 -127.16 143.54 2.67 97.33 0.00 2.56 0.09 0.01 0.00 0.00 0.00 97.23 0.12 11 A C C 18.98 16.71 21.23 37.77 114.11 -141.86 -94.98 128.33 63.59 36.33 0.09 51.07 9.42 0.75 0.01 0.09 0.00 38.22 0.45 12 G C S 25.33 9.79 21.18 31.24 124.50 -17.31 96.71 -172.24 95.87 3.78 0.35 12.37 55.97 27.66 0.02 0.42 0.00 3.21 0.35 13 Q C S 115.59 7.12 18.37 26.38 103.44 -54.69 -90.48 57.88 98.92 0.60 0.48 31.50 42.03 25.31 0.05 0.57 0.00 0.38 0.17 14 T C C 44.23 9.45 13.67 24.82 127.29 135.52 -114.00 154.44 98.93 0.52 0.55 56.24 42.34 0.28 0.45 0.08 0.00 0.09 0.52 15 P H H 105.28 1.79 17.96 19.57 91.74 -108.63 -58.66 -36.76 6.26 0.01 93.74 0.59 1.03 4.20 93.65 0.52 0.01 0.00 0.01 16 K H H 110.71 6.20 18.53 25.70 91.87 52.73 -65.68 -38.21 3.51 0.01 96.49 0.41 0.35 2.48 96.25 0.51 0.00 0.00 0.00 17 S H H 6.90 21.95 13.10 34.90 91.65 51.62 -64.65 -41.40 0.84 0.00 99.16 0.21 0.08 0.42 98.89 0.39 0.00 0.00 0.00 18 L H H 84.52 6.93 21.68 29.09 91.66 51.52 -63.69 -41.08 0.21 0.00 99.79 0.04 0.01 0.10 99.75 0.09 0.00 0.00 0.00 19 A H H 56.52 3.16 24.67 26.94 91.78 50.08 -64.32 -41.51 0.22 0.00 99.78 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 20 A H H 8.75 19.30 19.62 38.94 91.55 49.95 -64.31 -42.58 0.23 0.00 99.77 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 21 I H H 20.61 20.33 20.44 40.00 91.34 51.05 -62.40 -42.80 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 22 S H H 55.31 3.28 25.70 28.29 91.20 50.64 -63.30 -41.76 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 23 N H H 50.15 9.43 23.22 33.23 91.73 49.76 -64.80 -41.30 0.36 0.00 99.64 0.01 0.01 0.28 99.69 0.01 0.00 0.00 0.00 24 L H H 2.16 26.64 17.68 44.85 91.23 50.44 -63.46 -42.71 0.11 0.00 99.89 0.01 0.00 0.08 99.91 0.01 0.00 0.00 0.00 25 R H H 98.50 12.64 22.19 34.12 91.22 52.11 -61.90 -42.13 0.08 0.00 99.92 0.00 0.00 0.04 99.94 0.00 0.00 0.00 0.00 26 R H H 127.68 2.17 25.08 25.67 91.43 49.89 -63.70 -42.37 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 27 I H H 18.76 14.79 19.46 35.22 91.73 48.56 -63.97 -43.37 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 28 C H H 7.02 22.08 14.20 36.35 91.62 48.72 -64.02 -41.94 0.44 0.00 99.56 0.05 0.02 0.28 99.58 0.07 0.00 0.00 0.00 29 E H H 114.28 4.58 18.28 23.72 92.97 47.52 -68.46 -37.87 1.85 0.00 98.15 0.10 0.09 1.50 98.11 0.20 0.00 0.00 0.00 30 E H H 131.12 1.67 18.87 19.56 96.61 41.70 -77.48 -38.21 5.66 0.01 94.34 0.12 0.26 5.30 94.02 0.28 0.01 0.00 0.00 31 N H H 70.31 9.83 15.26 25.75 102.27 28.60 -100.52 -25.02 21.16 0.07 78.76 0.64 2.18 18.19 78.41 0.46 0.05 0.02 0.05 32 L C C 23.48 18.29 10.20 27.93 106.32 34.33 -120.69 48.47 96.55 0.86 2.59 56.25 34.66 5.49 1.28 1.39 0.00 0.32 0.61 33 P C T 102.09 3.08 15.44 20.45 109.93 -161.32 -57.99 129.19 94.37 0.55 5.08 5.41 7.61 80.76 0.49 5.15 0.00 0.31 0.27 34 G C T 58.26 2.16 16.60 19.27 94.04 11.52 83.03 -1.80 94.46 0.34 5.20 1.93 9.63 82.48 0.26 5.37 0.00 0.21 0.12 35 Q C C 79.74 9.29 17.25 27.32 98.73 96.55 -93.88 -17.97 90.87 4.10 5.03 38.04 23.50 28.05 0.26 6.46 0.00 3.25 0.45 36 Y E E 17.89 22.20 11.79 33.83 136.62 34.94 -139.16 153.85 31.54 68.42 0.04 27.01 3.89 0.15 0.01 0.03 0.00 68.32 0.59 37 E E E 91.64 5.85 25.78 32.21 124.67 -151.51 -120.00 142.38 2.00 98.00 0.00 1.85 0.07 0.00 0.00 0.00 0.00 98.03 0.04 38 V E E 30.66 22.32 14.91 36.63 119.80 -152.05 -113.04 127.53 0.57 99.43 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.46 0.00 39 E E E 68.74 9.51 23.00 33.03 123.81 -171.10 -120.38 134.88 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 40 V E E 52.98 15.58 18.81 34.25 117.51 -152.78 -105.68 125.32 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 41 I E E 24.19 15.76 17.75 34.64 121.58 -169.23 -117.08 131.15 2.39 97.61 0.00 2.21 0.07 0.00 0.00 0.00 0.00 97.68 0.04 42 D E E 47.08 7.98 21.65 30.98 107.67 -139.06 -90.58 112.15 10.72 89.27 0.01 10.31 0.29 0.02 0.00 0.01 0.00 88.94 0.42 43 L C T 23.16 20.60 12.31 33.18 93.14 -162.46 -66.86 -26.09 95.10 0.97 3.93 1.55 5.57 88.95 0.60 2.35 0.00 0.68 0.28 44 K C T 121.89 5.44 16.28 22.86 92.64 60.35 -68.99 -32.08 96.82 0.17 3.01 0.46 5.01 92.12 0.25 1.99 0.00 0.09 0.08 45 Q C T 131.75 1.46 16.47 17.28 99.10 35.66 -88.67 -31.53 95.51 0.34 4.15 1.09 11.70 83.50 0.54 2.77 0.00 0.17 0.22 46 N C C 64.37 7.73 12.66 22.15 112.32 20.32 -135.59 71.10 98.70 0.65 0.64 90.46 7.61 0.72 0.43 0.16 0.00 0.33 0.29 47 P H H 59.31 12.29 11.10 24.39 93.78 165.90 -62.74 -32.09 41.55 0.55 57.90 10.06 3.36 27.21 45.34 13.38 0.04 0.35 0.26 48 R H H 155.95 1.57 18.77 19.53 91.94 58.69 -65.05 -38.91 24.61 0.46 74.93 3.25 2.55 17.96 61.70 13.92 0.14 0.31 0.17 49 L H H 50.06 7.27 16.38 25.51 92.29 51.45 -65.32 -39.79 11.37 0.69 87.94 3.36 1.88 6.14 72.50 15.38 0.08 0.47 0.18 50 A H H 7.68 19.53 10.66 30.20 92.06 52.81 -64.30 -40.75 11.69 1.09 87.22 4.76 2.06 5.54 74.37 12.13 0.09 0.77 0.28 51 K H H 134.90 3.15 16.85 21.04 92.23 50.84 -65.21 -39.07 17.55 1.40 81.05 4.91 2.92 9.82 68.15 12.53 0.29 0.97 0.42 52 E H H 141.66 1.34 16.85 17.37 92.39 50.91 -68.14 -31.87 25.59 0.76 73.66 4.00 3.69 17.76 64.54 9.02 0.19 0.50 0.30 53 H C T 75.54 11.42 12.72 24.69 99.07 41.43 -98.28 1.53 61.47 1.02 37.51 6.59 9.79 43.98 32.27 6.19 0.11 0.54 0.54 54 S C T 80.29 3.19 19.60 23.22 95.73 -122.79 60.17 40.06 93.58 1.68 4.74 23.01 6.54 64.50 3.22 1.22 0.00 1.12 0.39 55 I C C 29.07 21.09 9.19 28.97 111.41 170.70 -86.05 119.68 79.11 16.90 3.98 74.27 3.13 1.75 2.99 1.06 0.00 11.02 5.78 56 V C C 101.71 3.46 19.41 23.47 101.06 170.36 -96.24 -23.19 80.06 14.85 5.09 56.54 14.57 8.41 3.39 2.00 0.01 12.11 2.97 57 A C S 54.39 6.98 20.19 27.69 134.06 21.89 -137.09 153.46 74.29 20.54 5.17 30.28 35.33 9.67 3.60 1.80 0.04 15.75 3.53 58 I C S 57.76 16.45 17.10 32.97 123.10 -112.52 -110.63 134.81 79.04 16.18 4.78 33.65 42.81 3.07 3.96 0.99 0.01 13.57 1.93 59 P C C 45.21 12.04 20.26 32.65 111.66 48.16 -70.88 141.81 84.23 12.17 3.60 60.28 19.24 3.96 2.62 1.11 0.00 11.95 0.83 60 T E E 25.03 18.43 18.73 36.72 128.43 163.93 -120.35 148.25 32.17 59.70 8.14 25.84 4.54 1.89 6.49 2.00 0.01 56.59 2.62 61 L E E 49.28 13.52 21.45 35.26 117.43 -143.57 -102.94 129.51 13.56 78.46 7.97 10.94 1.65 0.99 7.36 1.25 0.00 76.44 1.36 62 V E E 41.01 16.18 17.35 33.48 121.72 -165.47 -113.17 131.66 11.93 80.99 7.08 9.77 1.13 0.80 6.73 1.00 0.00 79.81 0.77 63 R E E 94.90 10.48 16.87 28.14 122.02 -164.35 -110.77 136.93 19.52 74.63 5.85 14.80 2.94 1.81 5.12 1.29 0.00 73.17 0.86 64 E E E 119.09 6.00 16.39 23.67 111.70 -131.23 -89.77 121.23 44.78 51.83 3.39 27.91 13.15 3.99 2.43 1.13 0.01 50.46 0.94 65 L C C 62.57 11.30 9.86 22.01 122.77 -168.58 -113.54 140.18 69.39 29.61 1.00 42.25 23.87 3.21 0.57 0.50 0.00 28.39 1.20 66 P C C 88.14 3.35 13.86 18.15 113.62 -99.02 -70.27 152.53 90.54 7.58 1.88 47.22 32.58 10.26 0.91 0.98 0.00 7.39 0.66 67 V C S 107.48 3.13 12.51 17.12 116.02 -56.92 -84.28 139.11 87.69 5.42 6.89 26.98 35.12 25.47 4.95 2.15 0.02 4.53 0.79 68 P C C 75.27 5.89 12.49 19.89 113.38 23.63 -71.93 145.25 83.18 10.53 6.29 43.98 19.33 18.89 4.60 1.88 0.01 10.49 0.82 69 I C E 75.55 10.28 12.97 24.36 116.10 -145.85 -97.69 130.56 47.04 44.13 8.82 37.98 5.01 2.80 7.20 1.76 0.01 43.46 1.77 70 R E E 100.40 11.71 15.88 28.05 124.13 -162.78 -117.74 138.56 26.00 64.41 9.58 20.85 2.93 1.65 8.48 1.45 0.01 63.46 1.16 71 K E E 91.96 10.68 19.41 30.51 124.39 -158.91 -117.37 135.68 16.23 72.66 11.11 12.88 1.71 1.25 10.49 1.38 0.01 71.25 1.02 72 I E E 36.22 18.26 15.25 33.42 115.23 -148.81 -100.42 124.95 15.32 74.24 10.44 12.67 1.22 1.10 10.46 1.27 0.01 71.57 1.70 73 I E E 74.97 9.51 19.80 29.79 118.84 -168.94 -109.65 128.99 28.51 58.81 12.69 20.39 5.08 3.22 11.21 2.30 0.03 56.12 1.65 74 G C E 30.01 6.28 20.25 27.43 135.00 24.04 131.53 -169.99 57.51 31.27 11.22 22.80 26.26 9.84 6.98 3.90 0.07 28.19 1.96 75 D C C 82.40 5.75 20.34 26.61 111.10 -38.25 -94.06 116.09 72.37 13.89 13.74 51.92 11.47 8.25 8.19 5.96 0.01 12.41 1.79 76 L C C 29.42 21.54 11.08 31.73 96.19 -163.68 -81.34 -4.85 61.07 4.28 34.65 36.03 8.29 16.74 12.70 22.16 0.02 2.90 1.15 77 S C T 74.77 4.24 17.47 23.02 92.27 90.08 -71.94 -19.47 61.73 2.63 35.63 22.82 14.46 24.84 14.24 21.04 0.05 1.57 0.98 78 D C C 75.93 5.32 16.62 23.16 103.63 64.23 -101.99 62.52 68.96 1.90 29.14 46.08 12.09 10.67 15.25 14.09 0.00 0.98 0.83 79 K H H 72.47 16.71 12.26 28.13 94.18 151.10 -62.96 -38.47 18.20 0.67 81.12 10.66 4.16 5.13 75.35 4.07 0.02 0.42 0.19 80 E H H 124.04 3.52 18.02 22.54 91.74 55.89 -63.34 -40.18 10.80 1.23 87.97 5.28 1.78 4.28 82.97 4.33 0.03 1.18 0.16 81 Q H H 95.08 3.76 19.35 23.32 92.36 49.39 -66.24 -40.52 8.70 3.91 87.39 4.94 1.21 2.88 82.09 4.37 0.02 4.25 0.25 82 V H H 14.03 18.09 14.76 33.27 92.38 48.84 -65.20 -42.95 7.10 6.59 86.30 4.04 0.94 2.06 82.57 3.15 0.02 6.97 0.25 83 L H H 31.26 14.52 15.94 31.13 92.24 49.57 -64.77 -41.16 9.22 12.28 78.50 5.01 1.25 2.88 74.51 3.30 0.04 12.49 0.51 84 V H H 82.94 3.18 18.68 21.95 92.41 50.83 -65.04 -40.71 14.07 11.71 74.22 6.16 1.94 5.84 68.42 4.91 0.12 11.85 0.76 85 N H H 76.04 7.41 16.41 24.95 92.24 52.35 -67.68 -31.12 25.92 5.57 68.50 6.91 3.30 15.55 62.36 5.71 0.24 5.15 0.78 86 L C T 40.17 15.83 12.64 28.46 96.76 49.54 -88.61 -1.83 59.97 3.71 36.31 8.62 9.25 40.78 31.38 6.04 0.33 2.53 1.07 87 K C T 152.17 2.54 18.17 21.11 97.07 -122.17 52.96 39.93 79.35 5.08 15.57 19.91 8.29 51.07 12.59 3.37 0.05 3.70 1.03 88 M C C 64.97 13.49 9.30 22.67 111.99 159.33 -89.79 124.15 75.86 12.33 11.81 56.92 9.73 8.45 8.76 3.77 0.02 9.66 2.67 89 D C C 103.54 3.11 13.23 17.63 110.56 -147.57 -90.80 116.27 71.97 16.97 11.05 53.10 9.35 8.94 7.41 4.05 0.03 14.34 2.79 90 M C C 116.09 6.27 9.33 17.25 108.69 -153.08 -85.06 112.02 79.14 13.31 7.55 72.36 1.88 4.74 4.80 2.35 0.00 10.76 3.11 91 E C C 133.33 3.32 11.58 16.68 110.22 -141.46 -87.58 124.58 99.78 0.17 0.06 99.67 0.10 0.08 0.03 0.00 0.00 0.10 0.01