# 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 104.82 7.21 14.91 23.12 115.53 -152.63 -96.48 132.25 99.95 0.04 0.01 99.89 0.05 0.03 0.00 0.00 0.00 0.02 0.00 1 A C C 66.93 6.69 13.89 21.94 116.44 -131.12 -86.07 139.42 95.43 2.02 2.55 92.48 1.22 2.12 1.84 0.43 0.00 0.90 1.01 2 I C C 40.32 17.23 9.06 25.37 115.69 -121.08 -89.42 133.76 95.63 1.44 2.93 79.63 13.98 1.85 2.61 0.49 0.00 0.57 0.87 3 S C C 54.16 3.23 16.63 20.20 119.75 -124.48 -77.89 161.09 96.05 0.53 3.42 92.00 3.07 0.90 3.30 0.27 0.00 0.18 0.28 4 Q H H 125.29 4.20 12.18 18.38 91.87 -110.24 -59.33 -37.71 4.91 0.02 95.07 1.71 1.12 1.98 94.59 0.58 0.00 0.01 0.01 5 E H H 135.21 1.07 16.21 15.99 92.10 53.23 -64.80 -40.35 2.73 0.01 97.26 0.65 0.38 1.51 96.86 0.59 0.00 0.00 0.00 6 R H H 90.61 8.38 15.02 24.65 92.19 48.26 -66.35 -39.61 1.54 0.01 98.46 0.54 0.19 0.76 97.86 0.65 0.00 0.00 0.00 7 K H H 46.65 16.90 13.44 30.02 91.43 52.47 -62.47 -42.31 0.61 0.00 99.39 0.18 0.06 0.29 99.30 0.18 0.00 0.00 0.00 8 N H H 79.97 4.34 19.83 24.59 91.54 50.45 -64.36 -40.08 0.51 0.00 99.49 0.10 0.03 0.26 99.51 0.09 0.00 0.00 0.00 9 E H H 94.21 2.68 21.49 23.23 91.66 50.53 -64.58 -41.81 0.40 0.00 99.60 0.06 0.02 0.23 99.59 0.10 0.00 0.00 0.00 10 I H H 14.02 16.74 16.46 34.14 91.90 49.65 -63.76 -43.46 0.46 0.00 99.54 0.06 0.03 0.29 99.44 0.17 0.00 0.00 0.00 11 I H H 26.90 17.19 15.95 33.31 91.81 50.08 -63.37 -41.31 0.63 0.00 99.37 0.07 0.04 0.45 98.93 0.51 0.00 0.00 0.00 12 K H H 139.03 2.05 20.58 22.32 91.68 51.59 -64.58 -38.08 2.64 0.00 97.36 0.12 0.10 2.40 94.67 2.71 0.00 0.00 0.00 13 E H H 109.32 4.48 19.68 24.63 92.19 50.47 -68.96 -31.99 10.71 0.00 89.28 0.25 0.40 10.34 86.19 2.81 0.01 0.00 0.00 14 Y H H 41.25 17.58 13.54 30.99 99.52 39.70 -102.18 -0.12 31.26 0.10 68.64 3.48 4.09 23.56 65.30 3.39 0.04 0.03 0.10 15 R C C 95.65 12.77 14.49 27.63 109.72 117.74 -70.78 122.52 92.27 1.04 6.69 78.12 7.49 6.46 4.32 2.10 0.00 0.33 1.18 16 V C C 83.81 7.01 15.86 24.02 100.44 174.41 -94.23 -23.71 94.48 0.83 4.70 55.24 32.59 6.58 2.23 2.27 0.00 0.27 0.81 17 H C C 95.97 3.82 16.25 20.81 133.83 17.70 -137.68 160.95 92.97 3.32 3.71 46.57 40.96 4.73 1.25 2.04 0.00 0.63 3.81 18 E C T 147.06 3.38 12.76 18.25 91.89 -105.82 -61.79 -28.07 98.07 0.16 1.78 1.29 9.11 87.82 0.20 1.42 0.00 0.09 0.09 19 T C T 108.21 1.56 15.78 17.23 96.26 53.12 -92.04 2.00 98.80 0.16 1.03 2.69 7.17 88.89 0.12 0.95 0.00 0.11 0.07 20 D C C 36.28 15.48 9.68 25.32 108.50 119.80 -76.16 115.88 97.93 1.75 0.32 88.88 7.93 0.69 0.09 0.21 0.00 0.54 1.66 21 T C C 83.11 6.08 18.41 25.49 100.40 174.89 -99.73 -0.33 99.19 0.43 0.38 69.62 7.55 22.01 0.11 0.23 0.00 0.20 0.29 22 G C S 31.90 12.45 17.19 29.34 99.25 73.94 23.17 4.54 99.02 0.57 0.42 28.87 43.83 26.37 0.11 0.28 0.00 0.23 0.31 23 S C C 39.88 7.96 21.03 29.97 116.06 134.98 -76.25 140.60 99.41 0.30 0.29 82.64 16.51 0.15 0.27 0.03 0.00 0.05 0.34 24 P H H 38.46 17.58 16.97 34.33 92.06 -125.20 -60.12 -36.61 1.52 0.00 98.48 0.19 0.19 0.91 98.53 0.18 0.00 0.00 0.00 25 E H H 92.78 10.40 22.09 32.47 91.64 55.41 -63.74 -40.46 0.47 0.00 99.53 0.04 0.03 0.32 99.47 0.13 0.00 0.00 0.00 26 V H H 33.87 12.25 22.03 34.78 92.18 49.17 -65.65 -41.87 0.08 0.00 99.92 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 27 Q H H 35.55 17.86 22.59 39.38 91.80 50.75 -63.95 -42.74 0.04 0.00 99.96 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 28 I H H 16.47 20.27 22.47 42.03 91.55 49.61 -63.66 -43.09 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 29 A H H 31.88 10.52 25.35 36.40 91.57 50.65 -63.79 -42.05 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 30 V H H 36.82 12.69 25.04 37.87 91.76 49.39 -64.49 -42.80 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 31 L H H 13.08 21.25 22.45 43.04 91.73 49.75 -64.45 -42.70 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 32 T H H 32.90 15.04 23.22 37.77 91.91 50.58 -63.84 -41.74 0.15 0.00 99.85 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 33 A H H 42.17 6.62 24.85 32.04 91.65 50.30 -64.26 -41.85 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 34 E H H 58.66 12.80 23.37 35.81 91.98 49.48 -65.00 -41.30 0.17 0.00 99.83 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 35 I H H 13.26 20.90 19.15 39.83 91.56 50.25 -63.77 -42.53 0.19 0.00 99.81 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 36 N H H 76.64 6.32 24.10 30.62 91.56 51.10 -63.89 -40.69 0.28 0.00 99.72 0.02 0.01 0.17 99.76 0.03 0.00 0.00 0.00 37 A H H 43.54 5.58 22.83 28.90 91.81 50.33 -64.64 -41.13 0.54 0.00 99.46 0.04 0.02 0.37 99.52 0.05 0.00 0.00 0.00 38 V H H 13.85 18.23 17.83 36.34 92.13 50.42 -64.81 -41.75 0.43 0.00 99.57 0.03 0.02 0.29 99.58 0.07 0.00 0.00 0.00 39 N H H 49.47 12.01 19.13 31.56 91.63 52.39 -63.17 -41.14 0.41 0.00 99.59 0.04 0.02 0.27 99.57 0.10 0.00 0.00 0.00 40 E H H 105.93 1.96 22.72 22.80 91.78 50.18 -64.34 -41.43 0.73 0.00 99.27 0.06 0.04 0.55 99.09 0.27 0.00 0.00 0.00 41 H H H 55.92 8.46 17.46 27.52 92.05 49.51 -65.59 -40.53 1.07 0.00 98.93 0.07 0.06 0.86 98.41 0.60 0.00 0.00 0.00 42 L H H 27.20 15.75 12.09 28.30 91.90 51.97 -65.71 -36.00 2.11 0.00 97.88 0.15 0.14 1.71 96.77 1.23 0.00 0.00 0.00 43 R H H 156.25 2.35 16.28 19.14 92.55 51.24 -67.17 -34.70 8.83 0.00 91.16 0.35 0.44 7.96 90.12 1.12 0.01 0.00 0.00 44 T H H 97.82 1.47 15.44 16.26 97.30 41.53 -81.27 -30.83 18.10 0.02 81.88 0.72 1.99 15.10 81.31 0.85 0.02 0.00 0.02 45 H C C 85.70 7.66 10.07 19.14 107.74 38.11 -114.58 77.81 84.28 0.32 15.39 45.91 19.74 17.35 14.99 1.57 0.00 0.08 0.36 46 K C T 150.01 3.11 12.74 17.56 97.48 -159.86 -59.84 -9.85 95.74 0.16 4.10 17.23 12.42 66.24 1.56 2.36 0.00 0.08 0.12 47 K C T 151.41 2.43 13.88 16.84 97.36 52.64 -83.84 17.72 95.85 0.17 3.97 11.72 19.62 64.68 1.26 2.51 0.00 0.08 0.13 48 D C C 54.88 9.21 10.07 20.84 107.46 97.89 -95.40 103.25 94.47 0.27 5.26 85.55 6.75 2.64 3.15 1.54 0.00 0.08 0.29 49 H H H 126.86 3.23 14.49 19.20 94.61 -172.65 -67.96 -32.10 26.70 0.13 73.17 10.11 5.05 12.12 66.73 5.85 0.01 0.05 0.08 50 H H H 117.94 2.67 17.19 19.80 92.76 55.86 -66.02 -38.90 16.59 0.06 83.35 3.68 2.22 10.36 77.99 5.67 0.01 0.03 0.04 51 S H H 23.30 12.20 13.60 27.14 92.10 51.70 -65.60 -39.55 9.07 0.06 90.87 3.50 1.22 4.15 85.86 5.22 0.00 0.03 0.02 52 R H H 103.51 9.73 17.37 27.56 91.89 52.75 -63.82 -40.92 4.04 0.03 95.93 1.63 0.62 1.78 94.19 1.76 0.00 0.01 0.01 53 R H H 135.29 1.98 22.05 22.53 91.86 50.46 -64.60 -41.73 1.58 0.00 98.42 0.36 0.19 0.84 98.17 0.44 0.00 0.00 0.00 54 G H H 20.44 7.81 18.83 28.14 91.89 50.86 -63.74 -41.98 1.46 0.00 98.53 0.29 0.14 0.85 98.36 0.35 0.00 0.00 0.00 55 L H H 25.36 17.64 16.04 33.69 92.13 50.43 -64.17 -41.69 0.63 0.00 99.37 0.11 0.05 0.36 99.27 0.20 0.00 0.00 0.00 56 L H H 87.53 5.32 21.36 27.09 91.49 50.87 -64.12 -40.99 0.31 0.00 99.69 0.05 0.02 0.18 99.64 0.11 0.00 0.00 0.00 57 K H H 121.82 2.29 22.90 23.94 91.95 49.59 -64.90 -41.12 0.47 0.00 99.53 0.05 0.02 0.31 99.50 0.11 0.00 0.00 0.00 58 M H H 32.13 14.63 18.23 33.37 91.95 49.27 -65.22 -41.82 0.72 0.00 99.28 0.07 0.04 0.50 99.26 0.13 0.00 0.00 0.00 59 V H H 31.11 14.82 18.37 33.53 91.65 50.32 -63.73 -42.31 0.56 0.00 99.44 0.06 0.03 0.36 99.45 0.10 0.00 0.00 0.00 60 G H H 33.45 2.93 22.34 24.65 91.28 51.31 -62.98 -42.40 0.83 0.00 99.17 0.09 0.04 0.55 99.22 0.10 0.00 0.00 0.00 61 R H H 108.86 5.55 22.09 27.89 91.65 49.41 -64.75 -41.10 0.50 0.00 99.50 0.05 0.03 0.32 99.53 0.08 0.00 0.00 0.00 62 R H H 36.40 18.88 17.17 35.48 91.82 50.76 -63.82 -41.57 0.23 0.00 99.77 0.03 0.01 0.14 99.78 0.05 0.00 0.00 0.00 63 R H H 112.79 8.38 21.21 29.99 91.38 51.75 -62.91 -41.25 0.14 0.00 99.86 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 64 H H H 110.79 2.19 24.20 24.80 91.55 49.81 -64.23 -41.82 0.17 0.00 99.83 0.01 0.01 0.12 99.82 0.05 0.00 0.00 0.00 65 L H H 25.19 14.81 19.99 35.30 91.66 49.75 -64.18 -42.88 0.21 0.00 99.79 0.01 0.01 0.15 99.77 0.06 0.00 0.00 0.00 66 L H H 15.97 19.30 17.63 36.99 91.45 50.64 -63.19 -41.59 0.33 0.00 99.67 0.03 0.02 0.22 99.63 0.11 0.00 0.00 0.00 67 N H H 81.70 3.40 23.29 26.08 91.51 51.14 -63.68 -41.08 0.90 0.00 99.10 0.07 0.04 0.67 98.90 0.31 0.00 0.00 0.00 68 Y H H 88.52 5.17 20.99 26.85 91.70 49.93 -63.97 -42.14 1.56 0.00 98.44 0.12 0.10 1.21 97.89 0.68 0.00 0.00 0.00 69 L H H 11.45 18.47 14.17 33.33 92.03 50.10 -65.00 -41.75 2.69 0.00 97.31 0.31 0.24 1.92 96.12 1.39 0.00 0.00 0.00 70 R H H 99.93 11.29 15.47 27.17 91.69 53.41 -64.45 -36.00 9.49 0.02 90.49 0.77 0.62 7.80 88.91 1.87 0.01 0.01 0.01 71 S H H 86.05 1.36 17.85 18.16 92.79 51.54 -74.22 -23.59 24.08 0.03 75.90 1.10 1.51 20.80 75.08 1.46 0.02 0.01 0.02 72 K C H 118.42 4.67 15.03 20.75 100.98 40.27 -93.03 -22.65 55.62 0.14 44.24 3.73 16.71 32.53 45.67 1.17 0.02 0.03 0.14 73 D C C 68.51 6.76 15.24 23.22 112.22 6.72 -135.12 95.49 97.23 0.27 2.51 91.39 2.55 3.13 2.39 0.25 0.00 0.08 0.22 74 I H H 72.80 11.97 11.95 24.77 93.96 -170.65 -63.30 -36.10 1.88 0.00 98.11 0.50 0.21 0.89 98.14 0.27 0.00 0.00 0.00 75 Q H H 124.04 1.43 19.38 19.53 91.60 53.94 -63.66 -41.28 0.68 0.00 99.32 0.06 0.04 0.47 99.18 0.24 0.00 0.00 0.00 76 R H H 96.62 6.12 18.48 25.55 91.85 48.74 -65.32 -40.90 0.24 0.00 99.76 0.03 0.01 0.15 99.60 0.21 0.00 0.00 0.00 77 Y H H 14.53 21.08 13.54 34.67 91.55 51.01 -63.16 -43.18 0.09 0.00 99.91 0.01 0.00 0.05 99.88 0.06 0.00 0.00 0.00 78 R H H 106.18 7.66 20.15 28.49 91.22 51.17 -62.95 -41.57 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 79 E H H 100.54 2.16 22.66 23.17 91.46 50.07 -63.81 -42.24 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 80 L H H 18.13 15.43 17.56 34.01 91.85 49.44 -64.32 -42.91 0.19 0.00 99.81 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 81 I H H 16.67 18.54 14.94 33.80 91.82 49.61 -63.75 -43.03 0.44 0.00 99.56 0.04 0.03 0.29 99.50 0.14 0.00 0.00 0.00 82 K H H 140.88 1.91 19.17 20.90 91.65 48.97 -64.14 -40.32 1.23 0.00 98.77 0.09 0.06 0.95 98.35 0.54 0.00 0.00 0.00 83 S H H 70.98 3.54 17.34 21.52 91.40 52.39 -66.21 -31.42 6.32 0.01 93.68 0.19 0.22 5.93 92.95 0.70 0.01 0.00 0.00 84 L H H 36.07 16.14 12.30 28.67 93.91 48.43 -87.15 -6.45 47.58 0.04 52.38 0.76 1.93 44.07 51.86 1.32 0.01 0.01 0.04 85 G C T 51.63 2.30 20.21 22.03 96.28 -114.98 75.70 20.72 98.56 0.06 1.38 7.91 4.03 86.82 0.91 0.27 0.00 0.03 0.03 86 I C C 37.05 17.87 8.50 25.30 114.29 143.42 -92.91 128.06 96.91 0.83 2.26 84.02 7.61 5.49 1.04 0.97 0.00 0.40 0.47 87 R C C 158.24 2.81 15.13 19.19 117.72 -155.08 -99.27 138.54 96.43 1.85 1.71 92.30 1.23 3.46 0.74 0.53 0.00 0.88 0.86 88 R C C 149.67 6.57 13.50 21.76 110.61 -115.52 -76.24 130.46 99.96 0.03 0.00 99.92 0.04 0.01 0.00 0.00 0.00 0.01 0.00