# 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 110.64 6.54 13.50 21.41 115.23 -159.59 -96.32 124.75 99.89 0.10 0.01 99.87 0.05 0.02 0.00 0.00 0.00 0.04 0.01 1 V C C 87.57 6.62 10.14 18.36 114.10 -157.41 -96.37 126.27 89.16 5.34 5.50 85.49 1.16 3.12 3.84 1.12 0.00 3.29 1.98 2 S C C 73.48 4.03 10.86 16.59 114.64 -157.98 -93.30 141.90 86.29 4.15 9.55 65.14 11.74 9.20 6.93 2.91 0.00 2.74 1.34 3 N C C 100.55 4.29 11.73 17.42 106.56 -84.67 -88.54 82.23 77.27 2.42 20.31 51.61 14.94 10.44 15.17 5.53 0.00 1.25 1.07 4 A H H 60.17 8.02 10.64 19.82 96.93 155.42 -70.67 -24.61 47.36 0.91 51.73 21.12 9.79 16.76 34.03 17.33 0.03 0.44 0.50 5 S H H 72.05 3.89 13.01 18.24 96.72 65.82 -72.71 -28.65 44.58 1.09 54.33 19.55 8.37 16.81 34.98 19.14 0.04 0.54 0.56 6 A H H 65.00 4.85 12.37 18.66 96.40 63.18 -75.66 -23.48 44.39 1.29 54.32 19.69 9.24 15.69 34.93 19.10 0.05 0.64 0.65 7 L C H 90.01 7.24 11.74 20.29 101.48 66.17 -83.03 -3.81 57.58 1.38 41.03 19.90 13.87 25.17 28.67 10.81 0.08 0.61 0.89 8 G C T 43.99 5.71 13.97 20.84 105.92 -85.35 43.06 -11.48 77.66 1.02 21.32 30.14 17.38 30.96 14.34 6.11 0.01 0.42 0.65 9 R C C 145.00 4.96 13.24 19.55 106.51 63.86 -86.82 55.96 76.60 1.83 21.57 39.88 19.54 17.47 15.57 5.66 0.01 0.74 1.11 10 N C C 94.29 5.59 14.01 20.73 106.45 89.61 -92.37 46.40 69.66 1.86 28.49 34.68 17.75 17.51 23.38 4.85 0.03 0.72 1.07 11 G C H 35.17 8.66 14.13 23.42 102.45 -34.76 53.24 -30.22 52.18 0.90 46.91 17.34 15.85 20.46 40.02 5.37 0.07 0.36 0.52 12 V H H 86.44 4.45 15.71 20.84 96.48 51.27 -70.06 -34.42 26.56 0.74 72.70 11.83 5.60 10.82 66.03 4.96 0.05 0.37 0.33 13 H H H 101.25 4.75 17.04 22.51 94.28 57.91 -67.44 -37.65 16.14 0.47 83.39 8.04 2.99 6.26 78.14 4.11 0.03 0.26 0.18 14 D H H 45.19 12.39 14.93 27.86 93.69 53.51 -66.52 -39.12 10.60 0.19 89.20 6.18 1.53 3.50 86.38 2.24 0.00 0.10 0.07 15 F H H 92.06 8.74 16.76 26.17 92.77 53.03 -65.11 -40.88 2.75 0.03 97.22 1.14 0.37 1.23 96.45 0.78 0.00 0.02 0.01 16 I H H 95.70 2.80 20.16 22.45 92.24 50.43 -65.09 -41.79 0.81 0.01 99.18 0.26 0.08 0.40 98.97 0.28 0.00 0.00 0.00 17 L H H 63.71 8.33 18.53 27.74 92.20 49.73 -65.00 -41.37 0.49 0.00 99.51 0.13 0.04 0.26 99.40 0.18 0.00 0.00 0.00 18 V H H 32.62 16.14 16.31 32.50 92.04 50.61 -64.16 -41.90 0.30 0.00 99.69 0.06 0.02 0.17 99.66 0.09 0.00 0.00 0.00 19 R H H 121.47 5.39 20.93 26.77 91.82 50.20 -63.96 -41.39 0.27 0.00 99.73 0.04 0.02 0.17 99.72 0.06 0.00 0.00 0.00 20 A H H 55.16 3.09 22.45 24.75 91.68 49.52 -64.43 -41.86 0.34 0.00 99.66 0.03 0.02 0.22 99.66 0.06 0.00 0.00 0.00 21 T H H 23.79 14.21 18.08 33.07 91.89 49.95 -65.02 -40.99 0.38 0.00 99.62 0.04 0.02 0.23 99.66 0.05 0.00 0.00 0.00 22 A H H 26.99 13.66 17.67 31.93 91.65 52.73 -63.31 -41.06 0.34 0.00 99.66 0.03 0.01 0.20 99.71 0.04 0.00 0.00 0.00 23 I H H 100.86 2.23 23.31 24.01 91.88 49.88 -64.29 -41.83 0.21 0.00 99.79 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 24 V H H 62.89 6.08 20.88 27.42 91.69 49.37 -64.52 -42.20 0.17 0.00 99.83 0.02 0.00 0.10 99.84 0.04 0.00 0.00 0.00 25 L H H 26.29 17.57 16.10 33.75 91.74 50.60 -64.14 -41.43 0.18 0.00 99.82 0.01 0.00 0.11 99.82 0.05 0.00 0.00 0.00 26 T H H 64.03 6.37 19.77 26.75 91.64 51.28 -63.93 -41.22 0.29 0.00 99.71 0.02 0.01 0.20 99.70 0.07 0.00 0.00 0.00 27 L H H 95.82 2.15 21.60 22.22 91.94 49.88 -64.74 -40.85 0.62 0.00 99.38 0.03 0.01 0.46 99.38 0.11 0.00 0.00 0.00 28 Y H H 59.89 12.15 17.23 30.13 92.28 50.11 -65.99 -41.21 0.60 0.00 99.40 0.04 0.02 0.46 99.36 0.13 0.00 0.00 0.00 29 I H H 49.44 13.88 16.59 30.68 91.85 50.82 -63.54 -41.86 0.44 0.00 99.56 0.04 0.02 0.31 99.44 0.19 0.00 0.00 0.00 30 I H H 100.35 2.49 21.14 22.81 91.92 49.68 -64.52 -41.48 0.28 0.00 99.72 0.02 0.01 0.21 99.52 0.24 0.00 0.00 0.00 31 Y H H 110.27 5.14 20.01 25.39 92.07 49.16 -65.11 -41.65 0.32 0.00 99.68 0.02 0.01 0.25 99.46 0.27 0.00 0.00 0.00 32 M H H 36.56 15.74 16.05 31.94 92.06 49.99 -64.36 -41.57 0.59 0.00 99.41 0.03 0.02 0.49 99.13 0.32 0.00 0.00 0.00 33 V H H 66.30 7.43 18.84 26.99 91.78 49.69 -63.75 -41.39 1.09 0.00 98.91 0.05 0.06 0.93 98.39 0.56 0.00 0.00 0.00 34 G H H 34.88 2.92 19.18 21.97 91.76 51.51 -63.78 -41.10 2.52 0.00 97.48 0.14 0.14 2.13 96.51 1.07 0.00 0.00 0.00 35 F H H 67.29 8.86 15.90 26.13 92.34 50.00 -65.68 -40.36 4.45 0.01 95.54 0.31 0.35 3.70 94.00 1.61 0.02 0.01 0.01 36 F H H 67.60 12.08 13.37 26.10 93.03 49.12 -67.39 -37.52 7.01 0.05 92.94 0.80 0.94 5.33 90.62 2.20 0.05 0.02 0.03 37 A H H 75.67 3.00 14.55 18.34 93.29 53.31 -69.00 -30.35 15.39 0.11 84.50 1.77 1.94 11.82 81.06 3.19 0.10 0.05 0.07 38 T H H 103.29 1.50 13.96 15.30 99.14 40.32 -87.92 -24.43 29.08 0.22 70.70 3.16 4.33 21.96 67.30 2.87 0.13 0.09 0.16 39 S H H 63.97 5.06 11.48 17.95 103.92 33.92 -102.96 -8.87 48.48 0.75 50.77 12.84 15.05 22.23 46.64 2.42 0.10 0.22 0.51 40 G C C 48.46 3.03 14.42 18.66 110.53 -131.47 76.68 -156.13 96.35 0.86 2.79 46.55 32.54 17.39 0.71 1.99 0.00 0.43 0.40 41 E C C 129.39 3.39 15.81 20.32 115.39 11.79 -94.76 135.81 95.06 2.70 2.25 64.66 19.91 10.47 0.56 1.79 0.00 1.68 0.94 42 L C C 49.09 16.36 10.30 26.23 113.06 -152.80 -99.09 119.93 94.85 3.83 1.32 82.27 10.76 1.76 0.60 0.66 0.00 2.02 1.92 43 T C C 60.92 4.07 19.24 23.55 126.82 114.62 -106.34 164.62 95.84 2.80 1.36 87.59 7.38 0.69 1.21 0.23 0.00 0.88 2.03 44 Y H H 120.51 9.73 13.10 23.71 92.02 -103.93 -59.59 -37.82 4.47 0.01 95.52 0.62 0.82 2.83 94.87 0.83 0.01 0.00 0.01 45 E H H 131.49 1.81 17.27 18.83 91.98 53.29 -64.56 -39.88 2.46 0.00 97.54 0.24 0.22 1.83 96.74 0.96 0.00 0.00 0.00 46 V H H 56.36 7.46 15.67 24.50 92.29 48.25 -66.25 -41.19 1.38 0.00 98.62 0.19 0.11 0.95 97.49 1.26 0.00 0.00 0.00 47 W H H 53.41 15.91 14.21 30.13 92.19 49.84 -64.77 -41.63 1.00 0.00 99.00 0.15 0.08 0.64 98.20 0.92 0.00 0.00 0.00 48 I H H 72.88 7.83 17.57 26.33 91.60 50.40 -64.18 -40.88 1.71 0.00 98.29 0.17 0.12 1.30 97.24 1.17 0.00 0.00 0.00 49 G H H 33.13 3.74 19.23 23.22 91.64 51.37 -64.11 -40.71 3.87 0.00 96.13 0.24 0.21 3.20 93.38 2.95 0.01 0.00 0.00 50 F H H 58.84 12.04 16.98 29.67 92.61 49.66 -66.58 -38.73 6.04 0.01 93.95 0.27 0.31 5.12 87.82 6.47 0.01 0.00 0.00 51 F H H 58.54 15.24 15.04 30.28 92.94 50.15 -75.38 -20.01 21.29 0.03 78.68 0.90 1.06 18.94 72.47 6.57 0.02 0.01 0.02 52 A C T 67.51 5.22 17.28 23.52 93.48 61.49 -83.27 -8.41 67.44 0.10 32.46 4.43 5.02 57.28 27.41 5.72 0.00 0.04 0.10 53 S C S 43.49 7.43 11.79 21.35 117.78 101.45 -78.35 144.26 97.02 0.45 2.53 19.12 75.80 1.70 2.61 0.22 0.00 0.08 0.47 54 A H H 84.51 1.98 14.51 17.30 91.96 -122.42 -60.26 -35.06 13.89 0.02 86.09 0.67 2.43 10.68 85.10 1.05 0.05 0.00 0.02 55 F H H 133.77 2.37 16.53 19.12 92.24 54.24 -65.80 -38.01 11.79 0.01 88.20 0.46 0.94 10.28 87.08 1.20 0.03 0.00 0.01 56 T H H 19.07 16.31 12.68 29.33 93.00 48.97 -68.58 -38.29 3.17 0.00 96.82 0.31 0.26 2.38 96.08 0.96 0.00 0.00 0.00 57 K H H 85.62 10.87 16.64 27.97 91.54 54.98 -61.86 -41.66 0.61 0.00 99.39 0.10 0.04 0.36 99.18 0.32 0.00 0.00 0.00 58 V H H 86.61 2.15 22.09 22.79 91.64 49.80 -64.20 -42.28 0.25 0.00 99.74 0.02 0.01 0.18 99.66 0.12 0.00 0.00 0.00 59 F H H 70.28 10.03 19.89 30.56 92.09 49.13 -65.27 -41.48 0.11 0.00 99.89 0.01 0.00 0.08 99.84 0.07 0.00 0.00 0.00 60 T H H 16.50 18.91 16.45 35.31 91.66 50.49 -63.67 -41.87 0.07 0.00 99.93 0.00 0.00 0.05 99.90 0.04 0.00 0.00 0.00 61 L H H 77.76 6.14 22.80 29.11 91.59 50.71 -63.58 -41.78 0.07 0.00 99.93 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 62 L H H 80.11 5.00 23.40 28.53 91.81 49.99 -64.19 -41.54 0.07 0.00 99.93 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 63 A H H 13.49 17.39 18.05 35.73 91.74 50.87 -64.38 -41.21 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.04 0.00 0.00 0.00 64 L H H 59.27 11.27 21.93 33.18 91.66 51.07 -63.78 -41.94 0.19 0.00 99.81 0.01 0.00 0.14 99.80 0.05 0.00 0.00 0.00 65 F H H 104.12 4.34 24.26 28.37 91.83 49.75 -64.24 -41.64 0.35 0.00 99.65 0.02 0.01 0.25 99.66 0.06 0.00 0.00 0.00 66 S H H 19.79 14.19 18.81 33.69 92.00 51.52 -64.15 -41.59 0.60 0.00 99.40 0.05 0.03 0.41 99.43 0.09 0.00 0.00 0.00 67 I H H 53.19 13.25 20.57 33.69 91.97 50.81 -64.01 -41.75 0.42 0.00 99.58 0.03 0.02 0.32 99.56 0.08 0.00 0.00 0.00 68 L H H 78.08 6.06 23.27 29.16 92.04 49.82 -64.20 -41.81 0.27 0.00 99.73 0.02 0.01 0.20 99.68 0.08 0.00 0.00 0.00 69 I H H 55.45 10.26 21.37 32.17 91.96 49.38 -64.55 -42.47 0.18 0.00 99.82 0.01 0.01 0.12 99.80 0.06 0.00 0.00 0.00 70 H H H 46.74 15.40 19.35 34.47 92.05 50.13 -64.29 -41.33 0.19 0.00 99.81 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 71 A H H 44.51 7.53 21.76 29.63 91.72 50.65 -63.90 -41.59 0.24 0.00 99.76 0.02 0.01 0.18 99.74 0.05 0.00 0.00 0.00 72 W H H 107.34 7.34 22.38 30.01 92.20 49.68 -65.31 -41.22 0.28 0.00 99.72 0.02 0.01 0.21 99.71 0.05 0.00 0.00 0.00 73 I H H 38.73 13.56 19.32 33.35 91.98 50.84 -64.58 -41.88 0.17 0.00 99.83 0.01 0.01 0.13 99.82 0.04 0.00 0.00 0.00 74 G H H 22.88 8.86 19.95 29.75 91.66 51.77 -63.05 -42.05 0.27 0.00 99.73 0.02 0.01 0.19 99.72 0.06 0.00 0.00 0.00 75 M H H 82.71 6.07 22.06 28.15 91.85 49.84 -64.84 -41.19 0.29 0.00 99.71 0.02 0.01 0.22 99.65 0.10 0.00 0.00 0.00 76 W H H 74.44 12.52 19.04 31.85 92.05 50.54 -64.74 -41.16 0.27 0.00 99.73 0.02 0.01 0.21 99.62 0.15 0.00 0.00 0.00 77 Q H H 63.19 10.64 18.69 29.83 91.88 51.64 -64.20 -41.19 0.66 0.00 99.34 0.04 0.03 0.57 99.10 0.26 0.00 0.00 0.00 78 V H H 69.25 5.14 20.19 25.27 91.74 49.31 -64.13 -41.65 1.70 0.00 98.30 0.08 0.09 1.48 97.84 0.50 0.00 0.00 0.00 79 L H H 56.37 8.34 17.21 26.81 92.19 49.36 -65.78 -38.94 2.93 0.01 97.06 0.20 0.21 2.40 95.46 1.71 0.01 0.00 0.00 80 T H H 40.79 12.76 14.08 27.42 92.36 52.32 -68.02 -34.32 9.44 0.02 90.53 0.60 0.65 7.95 85.54 5.22 0.02 0.01 0.01 81 D H H 89.59 4.88 16.41 21.86 93.78 52.07 -76.19 -24.04 23.73 0.03 76.23 1.17 1.43 20.88 72.21 4.25 0.03 0.01 0.02 82 Y H H 144.98 3.50 15.68 19.42 99.92 42.14 -94.93 -16.38 40.70 0.19 59.11 3.97 6.29 30.23 55.49 3.72 0.07 0.07 0.15 83 V C C 54.47 11.60 9.20 21.50 113.79 76.96 -96.87 126.44 80.14 2.07 17.79 44.86 24.84 9.52 17.02 1.56 0.01 0.60 1.59 84 K C C 141.97 3.47 13.42 18.25 105.24 -168.49 -89.42 -9.75 95.97 0.71 3.32 64.91 25.30 5.62 2.77 0.70 0.00 0.28 0.41 85 P C C 72.50 3.23 13.91 17.97 114.56 41.91 -81.25 140.95 91.49 0.92 7.59 63.21 21.38 6.20 6.98 1.29 0.00 0.30 0.64 86 L H H 100.20 6.23 11.42 19.41 93.72 -128.07 -61.50 -36.73 8.84 0.05 91.11 2.34 2.02 4.66 88.93 1.98 0.01 0.02 0.03 87 A H H 72.66 1.46 15.36 16.19 91.89 54.83 -63.99 -39.80 5.64 0.02 94.33 1.01 0.70 3.67 92.26 2.31 0.01 0.01 0.01 88 L H H 73.35 4.36 14.98 20.68 92.24 48.65 -66.04 -39.42 2.73 0.02 97.25 0.86 0.32 1.46 95.51 1.83 0.00 0.01 0.01 89 R H H 62.85 13.62 12.44 26.49 91.50 52.52 -63.21 -41.37 0.96 0.00 99.04 0.37 0.10 0.41 98.83 0.30 0.00 0.00 0.00 90 L H H 82.15 5.26 17.43 23.71 91.55 50.70 -64.13 -40.93 0.51 0.00 99.49 0.14 0.04 0.25 99.47 0.10 0.00 0.00 0.00 91 M H H 107.36 1.72 20.51 20.52 91.69 49.82 -64.62 -41.80 0.26 0.00 99.74 0.05 0.01 0.13 99.74 0.06 0.00 0.00 0.00 92 L H H 48.24 9.71 17.00 28.06 91.81 49.48 -64.96 -41.51 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 93 Q H H 46.83 15.11 15.47 30.65 91.47 51.77 -63.29 -41.45 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 94 L H H 91.81 3.06 20.72 23.48 91.51 50.68 -64.24 -41.18 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 95 V H H 79.14 2.87 21.31 23.50 91.71 49.58 -64.58 -42.21 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 96 I H H 30.66 14.84 16.86 32.28 91.85 48.58 -65.00 -41.97 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 97 V H H 44.77 12.68 17.88 30.99 91.77 50.08 -63.51 -42.16 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 98 V H H 85.46 2.08 22.68 23.07 91.56 49.38 -63.79 -42.44 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 99 A H H 43.14 5.88 20.04 26.88 91.55 49.81 -64.45 -42.07 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 100 L H H 27.13 17.00 15.99 33.14 91.78 50.07 -64.66 -41.62 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 101 V H H 69.66 6.76 20.05 27.47 91.62 50.11 -63.94 -41.68 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.03 0.00 0.00 0.00 102 V H H 84.31 2.19 21.84 22.53 91.77 49.50 -64.15 -42.31 0.18 0.00 99.82 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 103 Y H H 77.93 9.88 18.55 29.26 92.06 49.18 -65.40 -41.50 0.20 0.00 99.80 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 104 V H H 36.88 14.42 16.24 30.96 91.76 50.12 -64.10 -41.99 0.30 0.00 99.69 0.02 0.01 0.22 99.68 0.07 0.00 0.00 0.00 105 I H H 91.76 3.37 20.86 24.06 91.86 49.41 -64.23 -41.90 0.43 0.00 99.57 0.03 0.02 0.31 99.54 0.09 0.00 0.00 0.00 106 Y H H 118.37 3.07 20.62 23.27 91.90 49.02 -64.89 -41.63 0.66 0.00 99.34 0.06 0.04 0.48 99.22 0.20 0.00 0.00 0.00 107 G H H 12.73 12.60 15.16 29.25 91.66 51.29 -64.02 -42.03 1.70 0.01 98.29 0.17 0.10 1.29 98.02 0.40 0.00 0.01 0.00 108 F H H 81.11 8.51 16.75 26.37 92.25 49.63 -64.80 -40.68 2.49 0.04 97.47 0.26 0.19 1.93 97.01 0.56 0.01 0.03 0.01 109 V H H 85.07 2.56 17.43 19.86 92.54 49.88 -65.41 -41.26 3.43 0.22 96.35 0.60 0.43 2.46 95.27 0.97 0.04 0.18 0.03 110 V H H 77.58 4.60 15.52 21.19 93.55 48.09 -67.12 -40.19 5.36 0.19 94.45 0.73 0.54 4.13 92.32 2.03 0.07 0.14 0.04 111 V H H 63.59 9.65 12.99 23.57 94.85 43.60 -72.79 -36.31 10.85 0.16 88.98 0.95 0.90 9.00 87.14 1.81 0.06 0.09 0.05 112 W H H 151.01 4.70 12.52 18.49 98.57 39.46 -91.04 -11.01 32.04 0.65 67.31 3.77 3.95 24.26 65.45 1.88 0.10 0.30 0.28 113 G C C 50.50 3.23 11.33 16.05 101.34 65.29 -69.99 3.71 87.33 0.77 11.90 48.15 1.97 35.34 12.85 0.91 0.00 0.43 0.35 114 V C C 94.51 5.04 12.16 18.59 105.44 104.11 -86.42 44.17 99.94 0.05 0.01 99.91 0.04 0.02 0.00 0.00 0.00 0.02 0.00