# 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 95.99 9.18 12.44 22.55 116.12 -158.98 -96.35 130.79 99.93 0.06 0.02 99.88 0.06 0.03 0.01 0.00 0.00 0.02 0.01 1 K C C 123.93 4.88 11.74 18.38 114.57 -145.89 -91.90 134.63 86.18 2.57 11.24 81.93 1.10 3.81 9.21 1.44 0.00 1.18 1.31 2 K C C 133.82 4.48 11.49 17.71 108.79 -132.28 -82.46 122.73 71.49 1.79 26.71 48.76 10.38 11.17 24.61 3.42 0.00 0.87 0.80 3 N C C 85.66 7.05 12.19 20.39 103.78 49.64 -85.33 51.57 62.37 1.03 36.60 42.67 9.02 9.97 33.46 3.94 0.00 0.46 0.47 4 S H H 56.50 5.82 14.56 21.76 95.88 136.43 -69.71 -32.59 33.64 0.79 65.57 19.91 6.39 8.88 58.80 5.28 0.02 0.41 0.31 5 F H H 79.46 10.73 14.61 25.99 93.84 54.43 -67.73 -38.54 17.32 0.81 81.87 9.20 3.35 6.37 74.29 5.99 0.03 0.52 0.24 6 I H H 62.70 10.09 15.06 26.05 93.32 52.56 -67.05 -39.18 10.68 0.74 88.57 5.72 2.02 4.00 80.83 6.66 0.03 0.57 0.16 7 S H H 52.74 5.03 16.66 22.74 93.44 53.80 -66.33 -38.26 13.05 0.85 86.10 6.84 2.18 5.05 78.39 6.65 0.03 0.66 0.19 8 V H H 58.55 7.99 15.88 25.07 93.77 51.45 -68.06 -39.18 16.94 0.82 82.24 7.58 3.21 7.52 75.40 5.44 0.06 0.55 0.24 9 I H H 56.86 11.38 14.41 26.47 95.68 49.37 -72.60 -35.13 25.81 0.87 73.33 11.31 6.00 10.15 68.37 3.34 0.05 0.43 0.34 10 S H H 53.80 7.10 14.38 22.61 97.66 56.08 -71.80 -31.00 46.68 0.70 52.62 25.14 8.13 13.63 49.11 3.34 0.01 0.31 0.33 11 D C H 92.99 3.99 14.38 19.48 98.69 62.98 -76.05 -25.50 52.60 0.61 46.79 25.60 12.11 15.60 40.29 5.79 0.01 0.25 0.34 12 E C H 107.77 5.61 13.29 20.08 101.05 69.90 -76.07 -12.18 54.07 0.64 45.29 29.02 11.08 14.36 38.04 6.85 0.01 0.27 0.36 13 K C C 103.21 7.68 12.14 21.00 102.31 71.65 -76.15 -7.32 59.01 0.62 40.38 37.46 9.52 12.03 33.63 6.73 0.00 0.26 0.37 14 K C C 107.04 7.52 12.12 20.79 102.14 87.04 -77.14 -20.03 57.83 0.73 41.44 35.79 9.74 12.52 30.78 10.40 0.01 0.30 0.48 15 E C T 132.21 3.04 14.11 18.14 96.82 63.34 -71.28 -28.28 57.85 0.57 41.58 18.13 12.85 27.12 27.03 14.16 0.03 0.24 0.44 16 E C T 121.96 4.02 14.43 19.49 101.70 50.78 -84.35 -4.81 62.08 0.85 37.07 17.19 15.59 30.11 22.37 13.65 0.05 0.35 0.70 17 N C C 56.75 12.79 10.95 23.86 105.63 71.33 -94.07 71.54 86.37 0.96 12.67 58.73 15.51 12.18 5.94 6.40 0.00 0.36 0.89 18 K C T 123.84 5.95 15.42 22.68 100.94 161.86 -81.16 3.92 94.69 0.61 4.71 30.01 9.38 55.93 1.83 2.20 0.00 0.29 0.36 19 G C T 39.15 7.96 16.70 25.18 101.79 29.72 82.17 -4.62 95.92 0.67 3.40 18.13 21.85 56.19 1.03 2.13 0.00 0.35 0.31 20 S C C 39.17 7.80 18.28 27.32 117.30 122.53 -80.99 147.42 95.51 2.61 1.88 70.37 23.91 0.60 1.64 0.32 0.00 0.50 2.66 21 V H H 43.11 16.78 16.16 32.69 92.83 -129.74 -61.40 -37.95 2.38 0.00 97.62 0.30 0.39 1.47 97.58 0.26 0.00 0.00 0.00 22 E H H 90.50 9.81 19.84 29.89 91.90 53.79 -63.81 -41.19 1.24 0.00 98.76 0.11 0.08 0.91 98.62 0.27 0.00 0.00 0.00 23 F H H 81.53 6.60 20.99 28.32 92.23 48.58 -65.46 -41.54 0.24 0.00 99.76 0.03 0.01 0.15 99.62 0.19 0.00 0.00 0.00 24 Q H H 41.15 14.59 19.61 34.22 91.99 50.78 -63.76 -42.41 0.08 0.00 99.92 0.01 0.00 0.04 99.88 0.06 0.00 0.00 0.00 25 V H H 18.86 18.18 19.12 37.22 91.59 49.73 -63.43 -42.75 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 26 F H H 94.31 6.57 23.28 29.98 91.51 49.97 -63.92 -41.98 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 27 C H H 48.85 7.19 22.68 30.49 91.71 49.68 -64.44 -42.20 0.18 0.00 99.82 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 28 F H H 22.78 18.27 19.78 37.93 91.84 49.17 -64.80 -42.38 0.23 0.00 99.77 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 29 T H H 30.69 14.35 20.43 34.89 91.59 50.69 -63.48 -42.15 0.21 0.00 99.79 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 30 N H H 76.87 3.71 24.23 27.38 91.70 49.85 -64.77 -41.37 0.18 0.00 99.82 0.01 0.01 0.11 99.86 0.02 0.00 0.00 0.00 31 K H H 69.23 10.39 22.01 32.63 91.93 50.14 -65.09 -41.46 0.23 0.00 99.77 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 32 I H H 13.18 20.52 17.53 37.99 91.53 50.36 -63.97 -42.30 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 33 R H H 118.50 6.19 22.44 29.19 91.37 51.41 -63.26 -41.24 0.17 0.00 99.83 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 34 R H H 122.51 3.34 23.26 26.04 91.57 50.13 -64.51 -41.55 0.21 0.00 99.79 0.01 0.01 0.15 99.80 0.04 0.00 0.00 0.00 35 L H H 20.93 16.41 17.93 34.80 92.15 50.11 -64.97 -41.43 0.19 0.00 99.81 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 36 T H H 34.51 12.85 18.17 31.63 91.84 51.75 -63.45 -41.60 0.19 0.00 99.81 0.01 0.00 0.12 99.82 0.05 0.00 0.00 0.00 37 L H H 86.79 2.23 21.79 22.61 91.69 50.67 -63.88 -41.64 0.31 0.00 99.69 0.02 0.01 0.21 99.65 0.10 0.00 0.00 0.00 38 H H H 67.96 6.57 18.09 26.02 92.09 49.62 -65.29 -40.82 0.42 0.00 99.58 0.03 0.02 0.31 99.43 0.22 0.00 0.00 0.00 39 L H H 24.13 14.90 12.22 27.98 91.94 51.22 -65.40 -39.59 0.58 0.00 99.42 0.04 0.03 0.44 98.99 0.50 0.00 0.00 0.00 40 E H H 122.09 2.93 15.98 19.75 92.24 51.60 -65.60 -37.23 2.96 0.00 97.04 0.10 0.11 2.69 96.31 0.78 0.00 0.00 0.00 41 L H H 119.79 1.37 15.26 15.93 93.40 48.96 -71.88 -32.88 10.10 0.00 89.89 0.23 0.53 9.33 89.23 0.67 0.01 0.00 0.00 42 H C T 91.94 6.46 10.50 18.62 103.51 38.76 -107.95 27.40 68.45 0.22 31.32 23.34 12.17 31.95 30.45 1.79 0.01 0.06 0.22 43 K C T 144.12 3.79 12.39 18.01 99.64 -147.99 -14.77 20.57 89.44 0.27 10.29 18.89 9.43 61.41 3.42 6.53 0.00 0.12 0.22 44 K C T 154.99 2.24 13.73 16.49 100.38 51.09 -81.71 23.13 89.17 0.27 10.55 11.82 19.24 58.18 2.86 7.53 0.00 0.12 0.24 45 D C C 62.51 7.55 10.55 19.94 108.24 120.17 -95.54 101.77 90.87 0.37 8.76 77.99 7.98 5.44 4.05 4.05 0.00 0.13 0.34 46 Y H H 148.79 3.62 13.96 19.21 94.78 -174.33 -67.06 -31.75 28.47 0.21 71.32 14.72 5.46 9.13 65.58 4.90 0.01 0.08 0.13 47 S H H 66.81 2.48 17.25 19.61 92.24 56.53 -65.30 -39.52 16.73 0.08 83.19 5.17 2.35 9.01 78.24 5.15 0.01 0.03 0.05 48 S H H 24.60 11.21 13.90 26.74 92.33 50.80 -66.23 -39.77 9.43 0.06 90.51 3.77 1.27 4.20 85.98 4.72 0.00 0.03 0.02 49 Q H H 67.19 10.97 16.41 27.98 91.94 53.28 -64.25 -40.49 4.44 0.03 95.53 1.83 0.67 1.92 93.79 1.75 0.00 0.01 0.01 50 R H H 132.41 2.04 22.03 22.65 91.79 51.08 -64.52 -41.58 1.54 0.00 98.46 0.39 0.18 0.78 98.25 0.39 0.00 0.00 0.00 51 G H H 22.51 6.83 19.19 27.45 91.82 50.97 -63.59 -42.13 1.47 0.00 98.52 0.31 0.13 0.84 98.41 0.30 0.00 0.00 0.00 52 L H H 26.08 17.72 15.91 33.55 92.04 50.65 -64.17 -41.31 0.74 0.00 99.26 0.14 0.05 0.41 99.22 0.18 0.00 0.00 0.00 53 R H H 132.18 4.86 21.35 27.02 91.40 51.39 -63.54 -40.92 0.36 0.00 99.64 0.06 0.03 0.20 99.63 0.08 0.00 0.00 0.00 54 K H H 122.13 2.22 23.04 24.09 91.77 49.55 -64.92 -41.50 0.48 0.00 99.52 0.06 0.03 0.29 99.54 0.08 0.00 0.00 0.00 55 T H H 22.67 14.80 18.30 33.67 91.81 48.87 -64.89 -42.56 0.58 0.00 99.42 0.07 0.03 0.38 99.43 0.09 0.00 0.00 0.00 56 L H H 37.72 14.60 18.82 33.63 91.56 50.27 -63.74 -41.71 0.37 0.00 99.63 0.04 0.02 0.23 99.64 0.08 0.00 0.00 0.00 57 G H H 32.90 2.99 22.65 25.04 91.33 50.81 -62.87 -42.38 0.75 0.00 99.25 0.06 0.03 0.53 99.28 0.10 0.00 0.00 0.00 58 K H H 89.06 6.70 22.27 29.28 91.73 49.41 -64.79 -40.97 0.53 0.00 99.47 0.04 0.02 0.36 99.50 0.07 0.00 0.00 0.00 59 R H H 37.04 19.08 17.54 36.02 91.75 51.48 -63.51 -41.66 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 60 Q H H 88.59 7.95 21.98 30.34 91.39 51.47 -62.90 -40.86 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 61 R H H 136.08 2.32 24.58 25.78 91.58 50.27 -64.36 -41.77 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 62 L H H 23.25 15.88 20.24 36.41 91.70 49.96 -64.40 -42.65 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 63 L H H 19.01 18.90 18.80 37.53 91.56 50.67 -63.46 -41.67 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 64 A H H 50.34 3.71 23.36 26.76 91.39 51.38 -63.33 -41.89 0.24 0.00 99.76 0.01 0.00 0.17 99.77 0.05 0.00 0.00 0.00 65 Y H H 79.23 5.88 21.53 28.28 91.73 49.69 -64.06 -42.13 0.47 0.00 99.53 0.02 0.02 0.35 99.50 0.11 0.00 0.00 0.00 66 L H H 10.87 18.53 14.67 33.97 91.90 50.24 -64.55 -41.70 0.68 0.00 99.31 0.07 0.04 0.44 99.24 0.21 0.00 0.00 0.00 67 L H H 65.39 10.82 15.42 27.03 91.75 53.12 -64.51 -38.03 1.91 0.00 98.09 0.17 0.11 1.37 97.94 0.40 0.00 0.00 0.00 68 K H H 155.50 1.00 18.43 17.77 93.00 48.98 -70.12 -35.56 5.21 0.01 94.78 0.25 0.32 4.36 94.44 0.61 0.00 0.00 0.00 69 I H H 95.45 4.71 15.85 21.50 100.39 35.08 -91.19 -34.97 17.24 0.02 82.74 0.42 1.41 15.17 82.18 0.77 0.02 0.00 0.01 70 N C T 62.60 9.86 13.34 24.15 111.75 13.11 -132.69 62.20 81.99 0.13 17.88 33.16 7.29 39.02 19.41 0.97 0.00 0.03 0.12 71 G H H 34.20 7.69 13.53 22.80 97.89 152.19 -55.35 -44.49 5.19 0.01 94.80 1.68 0.75 2.53 93.96 1.06 0.00 0.00 0.01 72 V H H 95.52 1.74 19.16 19.55 92.66 48.63 -64.75 -41.14 1.37 0.00 98.63 0.12 0.10 0.99 98.11 0.67 0.00 0.00 0.00 73 R H H 97.03 7.52 18.61 26.96 91.93 50.53 -64.80 -40.43 0.42 0.00 99.58 0.05 0.02 0.27 99.18 0.48 0.00 0.00 0.00 74 Y H H 18.10 20.68 13.69 34.29 91.64 51.38 -63.06 -42.49 0.16 0.00 99.84 0.02 0.01 0.09 99.75 0.14 0.00 0.00 0.00 75 K H H 111.74 5.30 20.80 26.90 91.43 51.16 -63.24 -41.09 0.17 0.00 99.83 0.01 0.01 0.11 99.81 0.06 0.00 0.00 0.00 76 E H H 102.40 2.27 22.41 23.25 91.47 49.66 -64.27 -41.94 0.30 0.00 99.70 0.02 0.01 0.20 99.68 0.08 0.00 0.00 0.00 77 L H H 15.39 16.21 17.20 34.40 92.04 49.04 -64.39 -43.08 0.57 0.00 99.43 0.05 0.03 0.38 99.38 0.15 0.00 0.00 0.00 78 I H H 20.33 17.56 15.14 33.05 91.91 49.47 -63.35 -42.26 1.40 0.01 98.59 0.20 0.11 0.93 98.21 0.55 0.00 0.00 0.00 79 S H H 72.91 2.05 19.22 20.62 92.42 50.05 -64.88 -40.23 4.61 0.01 95.38 0.45 0.26 3.68 94.41 1.18 0.01 0.01 0.00 80 K H H 123.07 3.58 17.70 21.97 91.95 50.54 -66.35 -35.34 10.48 0.02 89.50 0.61 0.59 9.19 88.42 1.16 0.01 0.01 0.01 81 L C T 31.67 16.33 12.42 29.02 95.69 45.15 -90.13 -2.41 57.01 0.16 42.84 2.67 5.91 46.65 42.78 1.79 0.02 0.05 0.13 82 N C T 109.64 2.94 20.80 23.89 95.04 -123.45 57.39 45.95 91.51 0.12 8.37 17.38 3.57 70.13 7.80 1.00 0.00 0.05 0.06 83 I C C 23.00 19.74 10.87 29.99 99.80 153.56 -82.82 -8.84 60.29 0.78 38.92 52.46 3.64 5.78 29.45 7.91 0.00 0.39 0.36 84 R H H 124.76 6.91 16.73 24.61 95.46 84.89 -67.65 -35.88 43.41 1.71 54.88 27.09 7.12 9.95 38.65 15.56 0.02 1.05 0.58 85 E H H 110.10 4.13 16.60 21.40 95.49 56.32 -75.86 -21.40 40.69 2.20 57.12 24.83 6.68 9.59 39.51 17.30 0.02 1.46 0.61 86 L H H 58.14 12.64 11.17 24.11 100.71 68.13 -77.64 -17.16 44.13 1.82 54.05 27.66 7.36 9.67 38.91 14.67 0.02 1.11 0.59 87 K C C 116.72 6.93 12.35 20.47 102.56 78.13 -82.48 7.19 57.54 1.78 40.67 33.42 10.07 14.67 32.22 7.89 0.02 0.96 0.75 88 T C C 87.13 4.56 10.52 16.73 108.89 83.75 -92.77 92.44 76.35 0.97 22.68 58.71 2.72 15.11 19.22 3.24 0.00 0.49 0.50 89 R C C 160.76 3.78 12.04 17.52 104.08 -148.02 -86.23 45.92 99.91 0.03 0.06 99.76 0.09 0.09 0.03 0.00 0.00 0.01 0.01