# 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 110.86 7.12 12.53 20.89 114.46 -148.71 -88.91 131.54 99.92 0.06 0.02 99.83 0.07 0.05 0.00 0.00 0.00 0.03 0.01 1 S C C 70.99 5.52 11.27 18.43 113.06 -153.14 -93.75 133.30 92.80 2.66 4.54 85.88 2.22 5.55 1.27 2.43 0.00 1.62 1.03 2 E C C 128.49 5.08 12.31 18.90 106.24 -135.96 -84.65 59.77 85.67 5.34 8.99 54.28 17.68 13.67 1.37 8.07 0.00 3.72 1.20 3 S C C 69.10 5.83 15.15 22.14 109.36 59.66 -94.09 101.36 81.31 9.44 9.26 52.89 17.88 10.72 1.41 8.06 0.00 7.70 1.34 4 L C C 41.56 19.47 11.15 29.32 121.36 91.68 -108.47 136.02 68.27 26.95 4.78 54.81 9.05 3.49 0.90 3.71 0.00 26.61 1.42 5 S E E 55.59 5.70 21.88 28.28 128.85 -173.33 -127.46 147.94 39.97 58.53 1.50 33.94 4.36 1.28 0.37 0.97 0.00 58.21 0.85 6 W E E 79.09 20.03 12.28 31.00 130.11 -169.68 -132.21 143.44 15.58 84.11 0.31 14.31 1.02 0.20 0.10 0.15 0.00 83.90 0.32 7 M E E 95.90 4.48 22.00 27.23 128.16 -173.83 -132.59 142.10 3.70 96.14 0.16 3.26 0.28 0.07 0.07 0.06 0.00 96.10 0.16 8 Q E E 82.16 15.07 11.32 25.87 119.23 -153.30 -112.69 129.94 6.58 93.18 0.24 5.41 0.77 0.20 0.10 0.12 0.00 93.16 0.25 9 T E E 89.71 2.65 16.23 19.60 111.97 174.09 -125.44 100.28 27.88 71.76 0.36 22.54 3.79 0.98 0.12 0.25 0.00 71.75 0.57 10 G C T 51.95 2.08 16.66 18.93 109.96 -55.20 62.89 -131.05 99.23 0.56 0.21 2.30 25.38 71.57 0.01 0.22 0.00 0.47 0.05 11 D C T 71.55 12.10 14.43 27.04 96.82 -15.10 -98.43 8.48 99.45 0.37 0.17 2.18 25.88 71.40 0.01 0.19 0.00 0.31 0.04 12 T E E 39.86 11.18 19.62 32.07 125.69 87.36 -114.24 140.49 10.28 89.70 0.02 7.40 2.30 0.12 0.00 0.01 0.00 89.88 0.27 13 L E E 6.96 23.26 16.76 40.54 120.36 -161.36 -112.96 130.75 0.58 99.42 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.43 0.02 14 A E E 25.44 10.05 26.39 37.58 118.85 -160.57 -110.71 128.72 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 15 L E E 6.11 24.74 16.21 41.49 122.07 -167.43 -114.91 132.48 1.52 98.47 0.00 1.50 0.03 0.00 0.00 0.00 0.00 98.42 0.05 16 S E E 47.77 7.94 24.30 32.36 129.31 -174.33 -122.31 148.57 29.51 70.45 0.04 23.40 4.79 0.28 0.00 0.03 0.00 71.22 0.27 17 G C S 25.37 5.75 22.80 29.70 133.95 37.33 118.11 -168.21 57.75 42.20 0.05 10.81 44.46 1.25 0.00 0.05 0.00 43.07 0.34 18 E C C 102.12 6.57 23.99 31.05 118.01 -36.28 -87.29 138.98 57.35 42.58 0.07 53.53 2.25 0.19 0.01 0.06 0.00 43.02 0.94 19 L E E 7.84 25.42 12.46 38.38 112.87 -132.71 -87.80 125.40 30.31 69.53 0.16 29.51 0.80 0.11 0.11 0.08 0.00 46.43 22.95 20 D C C 55.24 6.25 24.11 30.40 133.59 174.52 -129.91 169.58 66.46 33.37 0.16 64.57 2.20 0.19 0.09 0.09 0.00 27.23 5.63 21 Q H T 95.88 11.74 14.68 26.72 91.53 -99.17 -60.71 -31.46 38.46 0.09 61.44 0.61 2.32 35.88 32.30 28.73 0.04 0.05 0.07 22 D H T 113.82 1.44 19.78 20.29 90.80 59.25 -69.32 -25.75 36.38 0.04 63.58 0.43 1.31 35.48 32.48 30.24 0.01 0.02 0.03 23 V H T 32.84 15.35 15.70 31.19 97.43 46.31 -86.14 -25.07 37.56 0.09 62.35 0.99 2.21 33.32 30.92 32.43 0.02 0.05 0.07 24 L H H 9.92 23.88 13.82 37.21 93.11 65.96 -67.14 -35.22 20.16 0.17 79.67 3.83 3.38 13.13 70.76 8.64 0.08 0.06 0.12 25 L H H 83.28 5.28 21.22 27.10 91.78 59.88 -61.55 -42.70 1.84 0.00 98.16 0.32 0.18 1.16 97.48 0.86 0.00 0.00 0.00 26 P H H 57.32 4.95 21.97 27.33 91.52 50.21 -64.07 -39.59 0.78 0.00 99.22 0.09 0.04 0.56 98.47 0.83 0.00 0.00 0.00 27 L H H 8.01 22.80 17.22 39.91 91.93 50.21 -64.77 -42.46 0.19 0.00 99.81 0.02 0.01 0.13 99.32 0.52 0.00 0.00 0.00 28 W H H 55.95 17.07 19.64 36.02 91.60 51.31 -62.93 -42.20 0.11 0.00 99.89 0.01 0.01 0.06 99.83 0.09 0.00 0.00 0.00 29 E H H 111.06 2.17 24.38 25.03 91.62 50.25 -64.16 -41.22 0.20 0.00 99.80 0.01 0.01 0.14 99.77 0.06 0.00 0.00 0.00 30 M H H 45.44 11.47 19.77 32.10 91.87 50.28 -65.11 -41.61 0.30 0.00 99.70 0.02 0.01 0.22 99.67 0.08 0.00 0.00 0.00 31 R H H 16.84 23.54 16.17 39.05 91.82 51.92 -63.84 -42.04 0.33 0.00 99.67 0.03 0.01 0.23 99.54 0.18 0.00 0.00 0.00 32 E H H 89.46 9.94 20.47 30.52 91.76 52.03 -63.63 -40.42 0.76 0.00 99.24 0.06 0.04 0.58 98.85 0.47 0.00 0.00 0.00 33 E H H 117.82 2.42 23.46 24.83 92.26 50.20 -66.30 -38.11 3.08 0.00 96.92 0.17 0.15 2.67 96.05 0.95 0.00 0.00 0.00 34 A H H 18.23 16.77 16.57 33.47 92.88 51.55 -70.87 -30.01 12.71 0.06 87.23 1.62 1.17 9.76 85.48 1.88 0.02 0.03 0.04 35 V H H 24.75 20.70 14.66 34.45 96.90 58.21 -84.16 -9.77 46.31 1.54 52.15 12.87 4.07 29.10 48.37 3.96 0.09 0.80 0.73 36 K C T 145.25 2.88 21.72 25.11 105.46 113.72 -74.29 94.90 76.62 1.02 22.35 6.77 7.55 60.36 20.91 3.33 0.03 0.57 0.49 37 G C T 34.47 7.34 20.61 28.09 119.69 7.23 108.55 -161.53 90.44 0.91 8.65 8.48 14.16 68.16 5.54 2.69 0.01 0.67 0.30 38 I C C 53.93 13.98 19.30 33.28 120.26 14.23 -110.27 131.22 67.01 31.01 1.98 49.73 9.86 5.71 0.69 1.08 0.00 32.07 0.86 39 T E E 13.36 21.05 20.12 40.82 123.02 -169.03 -114.34 135.17 15.69 84.25 0.07 13.73 1.45 0.12 0.02 0.04 0.00 84.23 0.41 40 C E E 26.32 15.91 26.49 42.07 119.63 -160.34 -113.51 127.36 1.15 98.85 0.01 1.04 0.05 0.00 0.00 0.00 0.00 98.83 0.07 41 I E E 5.23 24.89 22.31 47.30 116.07 -163.33 -110.54 120.95 0.43 99.57 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.55 0.03 42 D E E 41.00 11.69 26.71 38.99 109.78 -152.90 -97.39 111.62 3.42 96.57 0.01 3.18 0.13 0.01 0.00 0.00 0.00 96.58 0.09 43 L C C 4.95 24.62 16.63 42.82 98.30 171.95 -105.37 14.50 57.76 38.96 3.28 53.91 2.03 1.27 0.36 2.54 0.00 39.35 0.55 44 S C T 51.11 10.66 20.25 31.99 91.50 114.69 -62.62 -24.51 66.52 27.29 6.18 10.95 12.96 43.36 0.33 6.25 0.01 25.14 0.99 45 R C T 140.69 4.51 22.62 27.89 94.32 52.18 -91.55 -0.98 72.34 23.64 4.02 8.54 15.75 48.54 0.18 4.28 0.00 22.08 0.63 46 V C C 11.71 24.13 10.78 34.73 113.92 104.77 -83.67 127.53 51.51 48.24 0.25 49.22 2.01 0.22 0.05 0.18 0.00 46.93 1.39 47 S C E 67.77 4.89 22.89 28.49 100.15 -172.34 -98.07 -23.41 52.38 47.45 0.16 27.39 24.12 1.87 0.02 0.18 0.00 45.62 0.80 48 R E E 111.90 6.52 24.41 31.67 135.04 19.15 -143.79 146.63 22.59 77.26 0.15 12.96 8.54 1.84 0.03 0.15 0.00 75.17 1.31 49 V E E 15.25 24.90 13.93 38.49 123.67 -164.58 -123.49 129.91 17.39 82.53 0.08 16.65 0.76 0.05 0.06 0.03 0.00 71.29 11.15 50 D C C 52.71 8.95 23.90 32.86 127.40 -145.64 -91.06 170.75 81.21 18.68 0.12 80.04 1.29 0.08 0.07 0.03 0.00 17.69 0.80 51 T H H 74.72 9.98 20.84 31.30 91.57 -94.06 -60.56 -35.42 4.23 0.01 95.76 0.37 0.51 3.12 95.51 0.48 0.00 0.00 0.00 52 G H H 26.68 9.10 23.41 32.95 91.36 54.37 -63.48 -39.85 1.42 0.00 98.57 0.10 0.10 1.07 98.37 0.36 0.00 0.00 0.00 53 G H H 2.09 24.41 19.53 43.84 92.06 50.88 -64.90 -41.65 0.58 0.00 99.41 0.10 0.04 0.32 99.25 0.28 0.00 0.00 0.00 54 L H H 21.15 21.01 23.11 42.95 91.76 51.44 -63.89 -42.16 0.16 0.00 99.84 0.02 0.01 0.07 99.86 0.04 0.00 0.00 0.00 55 A H H 42.96 7.00 26.95 34.53 91.36 51.86 -63.47 -41.65 0.10 0.00 99.90 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 56 L H H 22.67 17.68 24.33 41.49 91.61 50.55 -64.55 -42.75 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 57 L H H 1.19 27.86 22.22 50.49 91.17 49.99 -63.40 -42.84 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 58 L H H 46.59 13.85 25.41 38.97 91.52 51.19 -63.14 -41.95 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 59 H H H 79.28 7.33 26.81 34.71 91.55 50.34 -64.45 -41.85 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.00 0.00 0.00 0.00 60 L H H 5.40 23.51 21.70 44.84 91.44 50.13 -64.06 -43.32 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 61 I H H 17.00 20.44 21.20 41.00 91.28 49.78 -63.36 -42.95 0.09 0.00 99.91 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 62 D H H 72.07 3.95 25.29 28.77 91.44 49.99 -63.95 -41.53 0.26 0.00 99.74 0.02 0.01 0.15 99.79 0.02 0.00 0.00 0.00 63 L H H 37.70 9.48 20.71 31.60 91.66 49.84 -64.60 -42.02 0.61 0.00 99.39 0.05 0.03 0.41 99.42 0.08 0.00 0.00 0.00 64 A H H 5.39 20.90 13.26 34.62 91.55 51.16 -63.49 -42.24 1.45 0.01 98.54 0.23 0.11 0.92 98.40 0.34 0.00 0.00 0.00 65 K H H 121.41 5.95 17.16 24.56 91.43 51.05 -63.35 -40.04 3.10 0.02 96.89 0.35 0.17 2.39 95.87 1.19 0.00 0.01 0.00 66 K H H 155.46 1.26 17.58 18.21 91.18 52.87 -66.63 -29.42 10.68 0.03 89.29 0.45 0.45 9.95 88.02 1.09 0.02 0.01 0.01 67 Q C T 92.56 7.48 13.41 22.23 94.55 50.16 -89.33 -0.59 73.79 0.06 26.15 0.57 1.55 70.97 25.57 1.27 0.00 0.02 0.04 68 G C T 59.10 1.27 18.84 18.89 96.49 -106.70 82.71 14.23 99.78 0.02 0.20 2.09 1.56 96.24 0.07 0.04 0.00 0.01 0.00 69 N C C 43.62 16.24 10.91 26.74 124.44 134.41 -96.07 155.71 97.19 2.76 0.05 95.97 1.22 0.14 0.01 0.03 0.00 2.53 0.11 70 N E E 91.57 4.68 24.40 29.50 117.51 -129.37 -100.90 135.33 35.34 64.57 0.09 33.68 1.02 0.12 0.01 0.06 0.00 64.65 0.45 71 V E E 10.18 25.45 13.53 39.14 123.76 -163.98 -117.73 134.92 7.77 92.22 0.01 7.18 0.38 0.02 0.00 0.01 0.00 92.30 0.12 72 T E E 49.32 8.81 27.48 37.07 124.90 -171.00 -122.59 137.37 0.59 99.40 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.43 0.01 73 L E E 19.44 23.90 16.83 40.44 117.68 -153.28 -106.32 125.83 0.57 99.42 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.37 0.06 74 Q E E 74.98 9.32 22.16 31.94 128.08 -173.88 -122.44 147.08 9.60 90.31 0.08 6.27 2.41 0.72 0.01 0.06 0.00 90.29 0.23 75 G C S 43.88 4.56 22.53 27.86 94.18 18.81 75.76 16.83 82.01 17.90 0.09 16.09 59.45 4.65 0.01 0.09 0.00 19.38 0.33 76 V C C 21.92 23.08 9.80 31.63 116.98 153.61 -86.41 137.40 89.84 9.79 0.37 82.65 6.89 0.50 0.15 0.21 0.00 7.97 1.61 77 N C C 67.94 5.64 19.22 25.48 121.86 -125.70 -78.90 165.19 98.72 0.71 0.57 97.54 1.13 0.28 0.43 0.07 0.00 0.27 0.27 78 D H H 112.65 2.64 16.31 20.21 91.17 -100.15 -59.96 -35.60 7.84 0.02 92.14 0.95 1.41 5.19 91.65 0.78 0.01 0.00 0.01 79 K H H 122.95 3.26 18.83 22.60 91.72 54.27 -64.50 -39.92 5.11 0.01 94.88 0.43 0.48 4.08 94.17 0.81 0.01 0.00 0.01 80 V H H 11.26 21.01 14.36 35.34 92.29 49.09 -65.16 -42.49 2.18 0.02 97.80 0.39 0.21 1.44 97.27 0.67 0.01 0.01 0.00 81 Y H H 73.23 14.43 17.45 31.64 91.58 51.45 -62.59 -42.47 0.80 0.01 99.19 0.21 0.08 0.38 99.15 0.17 0.00 0.00 0.00 82 T H H 72.67 2.07 22.51 22.85 91.46 49.61 -63.66 -42.58 0.75 0.01 99.25 0.16 0.05 0.40 99.24 0.14 0.00 0.00 0.00 83 L H H 39.52 10.76 18.82 30.82 91.89 49.32 -64.78 -41.93 0.54 0.00 99.46 0.07 0.04 0.33 99.36 0.19 0.00 0.00 0.00 84 A H H 4.86 22.80 12.79 35.74 91.31 51.10 -63.96 -41.58 0.82 0.00 99.18 0.10 0.06 0.54 98.75 0.54 0.00 0.00 0.00 85 K H H 129.73 4.13 18.50 23.88 91.82 51.60 -64.54 -38.84 2.77 0.01 97.22 0.14 0.10 2.42 96.24 1.09 0.00 0.00 0.00 86 L H H 110.97 2.76 17.58 20.49 91.51 53.34 -67.28 -32.14 7.97 0.01 92.02 0.21 0.29 7.63 91.01 0.83 0.01 0.00 0.01 87 Y C T 73.97 12.82 13.06 26.54 97.31 46.68 -95.59 6.24 70.05 0.13 29.82 1.44 3.80 62.86 30.20 1.52 0.01 0.04 0.13 88 N C T 126.30 1.90 20.16 21.86 94.82 -116.67 59.74 41.36 99.49 0.02 0.48 7.24 1.99 90.42 0.25 0.08 0.00 0.01 0.01 89 L C C 22.02 22.33 8.96 30.03 115.45 174.93 -81.62 137.79 99.57 0.26 0.17 97.85 1.64 0.12 0.08 0.04 0.00 0.07 0.21 90 P C C 57.87 5.94 18.50 25.62 113.08 -106.38 -66.87 147.96 96.93 0.44 2.64 95.35 1.05 1.03 0.47 1.69 0.00 0.17 0.25 91 A H G 70.39 9.26 13.62 23.80 93.32 -120.73 -62.29 -28.38 43.19 0.61 56.20 4.70 6.20 30.13 2.20 56.19 0.00 0.35 0.23 92 D H G 108.68 2.44 18.06 20.97 91.91 64.07 -75.99 -8.38 42.60 0.86 56.54 5.01 5.26 30.24 2.36 56.33 0.00 0.59 0.20 93 V H G 38.59 15.81 13.59 29.50 97.58 71.32 -90.52 -4.60 45.87 4.45 49.67 20.90 12.11 14.22 3.63 45.05 0.01 3.02 1.07 94 L C S 47.04 15.62 13.75 29.60 115.91 93.39 -100.43 124.38 87.02 11.09 1.89 38.32 47.79 1.75 1.00 0.83 0.00 6.04 4.26 95 P C C 55.90 9.39 15.57 26.34 113.57 -120.26 -68.62 146.86 83.28 12.51 4.22 73.87 5.47 3.43 1.78 2.44 0.00 8.49 4.53 96 R C C 137.35 7.30 13.33 21.90 111.49 -135.17 -87.38 128.99 79.40 7.09 13.50 52.22 15.44 11.53 4.49 9.21 0.01 4.33 2.76 97 H C C 118.77 5.54 12.34 19.37 113.33 -147.22 -94.94 124.18 78.99 5.06 15.95 48.69 16.05 14.26 4.80 11.25 0.01 3.09 1.85 98 H C C 117.20 6.25 10.56 18.31 112.11 -153.59 -95.79 117.58 79.11 3.06 17.83 50.20 14.57 14.23 5.41 12.61 0.00 1.75 1.23 99 H C C 121.80 4.85 10.26 16.75 109.21 -160.17 -95.37 88.94 79.92 2.40 17.68 49.41 15.13 15.41 6.13 11.52 0.00 1.31 1.09 100 H C C 124.88 4.32 9.62 15.65 110.97 74.12 -95.64 110.05 80.80 2.29 16.91 49.98 15.21 15.70 5.61 11.19 0.00 1.25 1.06 101 H C C 129.36 3.84 9.06 14.64 110.28 -161.74 -93.37 106.67 82.14 2.57 15.30 52.17 14.99 15.15 4.63 10.50 0.00 1.48 1.08 102 H C C 131.36 3.62 8.34 13.78 110.90 69.94 -94.35 110.71 85.02 3.06 11.93 58.69 12.74 13.78 3.59 8.12 0.00 1.91 1.17 103 H C C 136.51 3.18 7.99 13.02 111.17 -168.16 -95.58 111.68 91.80 2.08 6.12 81.95 2.59 8.26 1.93 3.11 0.00 1.32 0.84 104 H C C 141.03 3.14 10.34 15.21 108.95 -166.40 -91.96 99.67 99.89 0.07 0.04 99.71 0.12 0.11 0.01 0.01 0.00 0.03 0.01