# 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 88.68 11.36 13.69 25.33 117.12 -155.79 -94.42 132.37 99.76 0.23 0.01 99.77 0.08 0.02 0.00 0.00 0.00 0.10 0.03 1 A C C 67.09 6.52 12.80 20.74 115.49 -139.23 -90.33 136.17 92.14 5.93 1.93 90.12 1.07 1.59 0.78 0.68 0.00 3.43 2.32 2 P C C 92.81 5.77 12.02 19.20 112.73 -139.12 -87.72 138.95 84.46 9.11 6.43 51.88 16.08 17.12 1.76 4.52 0.01 6.00 2.63 3 G C C 45.88 5.49 14.72 21.24 106.50 12.93 87.20 -1.09 81.04 10.98 7.98 46.15 19.11 16.50 2.81 5.08 0.02 7.37 2.96 4 L C C 72.95 10.19 12.31 23.43 116.79 127.12 -96.92 134.52 71.97 18.86 9.17 52.35 12.76 5.84 4.96 4.58 0.04 12.37 7.10 5 V C C 74.49 8.37 13.81 23.45 115.49 -145.21 -100.24 129.29 67.68 23.97 8.34 49.42 11.21 5.77 5.18 3.63 0.04 15.86 8.88 6 V C C 81.18 6.93 13.17 21.49 123.15 -162.31 -122.10 138.17 65.11 25.23 9.66 35.45 21.03 9.52 5.52 4.37 0.20 14.13 9.78 7 G C S 43.78 3.84 15.42 20.21 118.76 13.93 77.13 -152.73 72.22 7.89 19.89 17.99 28.31 27.58 3.74 14.71 0.09 4.76 2.82 8 L C T 115.39 4.67 13.62 19.36 94.31 -23.34 -72.69 -23.05 75.00 2.99 22.01 7.01 16.24 51.01 2.58 19.93 0.04 1.84 1.34 9 N C T 68.87 9.61 10.58 21.11 98.89 53.12 -100.74 15.74 69.66 9.16 21.18 12.38 15.37 42.43 2.38 18.76 0.09 5.66 2.94 10 K C T 134.76 4.75 11.31 18.39 109.68 140.77 -62.81 126.47 86.73 7.95 5.32 7.45 8.65 70.69 1.15 4.01 0.01 5.31 2.72 11 G C T 60.52 1.60 14.45 16.09 95.62 14.29 84.01 -1.02 91.82 5.32 2.85 8.00 12.75 70.97 0.35 2.70 0.00 4.53 0.71 12 K C C 99.43 6.79 11.05 19.66 118.56 120.17 -89.38 140.52 77.50 21.12 1.38 52.81 22.50 2.76 0.42 1.11 0.00 15.99 4.42 13 T E C 97.68 2.89 15.01 19.07 113.58 -113.51 -75.70 139.07 41.47 57.77 0.76 37.04 2.13 0.44 0.56 0.27 0.00 30.31 29.25 14 L C C 67.81 13.65 8.48 21.82 118.21 -142.26 -95.76 139.04 77.92 21.04 1.04 68.15 7.80 1.51 0.47 0.64 0.00 16.96 4.46 15 T C C 84.35 3.98 14.20 19.39 117.40 -141.48 -100.14 136.77 82.46 16.39 1.15 71.03 9.40 1.68 0.49 0.68 0.00 13.44 3.26 16 K C C 142.94 4.13 11.42 17.50 112.87 -111.76 -77.04 134.35 84.99 12.61 2.39 70.86 10.62 3.11 0.89 1.50 0.00 10.42 2.60 17 R C C 134.21 6.48 8.81 16.85 115.35 -141.77 -93.68 134.37 93.61 4.68 1.71 77.80 13.19 2.60 0.57 1.12 0.00 3.27 1.46 18 Q C C 149.38 1.17 12.15 13.70 111.64 -131.47 -87.33 121.13 96.00 2.94 1.07 84.41 9.87 1.72 0.38 0.64 0.00 1.72 1.26 19 L C C 91.02 8.09 7.08 16.23 117.55 -135.44 -90.00 138.81 97.89 1.45 0.67 89.55 7.70 0.74 0.28 0.29 0.00 0.71 0.73 20 P C C 96.84 2.39 11.54 15.18 114.90 -111.15 -69.84 152.98 98.33 0.64 1.04 88.87 7.89 1.71 0.39 0.51 0.00 0.30 0.34 21 E C C 146.33 2.34 10.81 14.90 112.60 -98.38 -73.93 139.36 97.85 0.74 1.41 84.82 11.50 1.51 0.58 0.67 0.00 0.26 0.66 22 R C C 124.37 6.64 8.54 16.74 115.98 -124.99 -87.95 138.43 98.18 0.48 1.35 90.15 7.51 0.63 0.67 0.47 0.00 0.15 0.43 23 P C G 91.84 3.67 10.55 15.92 96.65 -112.80 -62.80 -28.20 54.79 0.71 44.50 29.59 6.60 17.15 6.75 39.20 0.00 0.39 0.32 24 S H G 75.42 3.91 10.42 15.88 99.15 59.58 -78.78 -10.21 49.03 0.76 50.21 17.39 8.20 22.61 8.35 42.69 0.00 0.41 0.34 25 R C G 146.02 4.52 10.79 16.82 101.25 66.81 -89.84 10.38 50.03 1.34 48.63 25.51 11.15 13.12 8.87 40.07 0.00 0.68 0.59 26 R C C 131.45 6.04 10.11 17.77 113.75 117.43 -88.85 131.17 73.73 2.12 24.15 49.37 13.83 10.16 9.51 14.84 0.00 0.98 1.30 27 K C C 151.25 2.52 11.37 15.34 112.40 -134.41 -90.85 130.54 82.04 2.46 15.50 37.47 16.78 28.49 7.92 6.74 0.01 1.10 1.49 28 G C T 46.49 4.66 11.70 17.72 117.16 12.95 102.14 -169.22 85.57 1.75 12.68 29.95 25.06 31.31 5.07 6.83 0.00 0.81 0.98 29 H C C 135.52 3.36 12.59 17.26 114.48 -69.46 -91.89 131.81 84.40 3.95 11.65 61.87 14.12 8.02 6.58 5.08 0.00 1.83 2.49 30 L C C 91.20 8.91 9.88 19.77 111.04 -131.62 -83.45 129.59 87.23 3.43 9.34 68.42 13.20 5.18 6.82 2.74 0.00 1.53 2.11 31 S C C 52.64 5.46 11.86 18.87 120.14 -135.17 -87.82 161.39 88.64 1.92 9.44 72.45 11.65 3.97 8.20 1.77 0.00 0.74 1.22 32 K H H 160.82 1.42 13.47 15.38 92.48 -102.60 -62.00 -34.03 30.81 0.33 68.86 5.86 7.07 18.13 58.72 9.77 0.09 0.14 0.20 33 R H H 144.56 3.25 14.28 18.38 93.24 54.20 -68.61 -34.73 32.09 0.37 67.54 4.53 5.10 22.21 57.94 9.73 0.10 0.20 0.19 34 T H H 36.18 12.37 11.75 24.77 96.76 47.74 -74.81 -32.37 28.45 0.40 71.15 8.97 3.81 15.91 62.22 8.67 0.04 0.21 0.18 35 A H H 53.35 6.33 15.31 22.99 92.98 63.92 -62.99 -40.95 4.36 0.05 95.59 1.95 0.72 1.51 95.09 0.69 0.00 0.02 0.01 36 F H H 124.05 2.32 18.97 20.73 92.59 50.24 -65.23 -41.33 1.91 0.03 98.06 0.66 0.23 0.94 97.64 0.51 0.00 0.02 0.01 37 V H H 47.89 10.41 17.44 28.52 92.40 49.26 -65.59 -41.86 0.84 0.01 99.15 0.25 0.10 0.42 98.87 0.35 0.00 0.01 0.00 38 R H H 66.87 14.65 16.50 30.96 92.03 51.36 -63.52 -41.23 0.57 0.00 99.43 0.12 0.06 0.31 99.27 0.23 0.00 0.00 0.00 39 S H H 52.16 4.56 20.21 25.17 91.86 51.22 -64.42 -40.54 1.07 0.01 98.92 0.18 0.08 0.70 98.74 0.30 0.00 0.00 0.00 40 I H H 71.92 5.36 20.16 25.95 92.12 49.55 -65.07 -42.28 1.70 0.01 98.29 0.20 0.15 1.25 98.06 0.31 0.00 0.01 0.00 41 V H H 24.75 15.53 15.55 31.80 92.34 49.53 -65.33 -42.29 2.99 0.04 96.97 0.42 0.39 2.11 96.71 0.33 0.01 0.01 0.01 42 R H H 100.07 10.83 16.51 27.60 92.12 51.35 -64.05 -40.87 3.47 0.04 96.49 0.58 0.42 2.31 96.06 0.59 0.01 0.02 0.01 43 E H H 130.75 2.20 18.74 20.82 93.30 47.89 -68.42 -38.12 5.00 0.04 94.96 0.46 0.47 4.11 94.07 0.84 0.02 0.02 0.01 44 V H H 78.55 6.91 16.90 24.20 98.61 38.24 -82.64 -36.97 11.24 0.05 88.71 0.48 0.95 9.96 87.67 0.84 0.06 0.01 0.03 45 A H H 36.97 12.24 14.68 27.37 100.20 27.19 -96.85 -15.74 24.89 0.19 74.93 1.97 5.18 17.89 73.89 0.80 0.09 0.04 0.14 46 G C S 38.29 5.39 18.65 25.02 99.59 -120.88 82.18 4.03 98.32 0.52 1.17 33.68 46.36 18.33 0.52 0.61 0.00 0.23 0.27 47 F C C 75.74 12.32 15.66 28.35 121.86 74.96 -109.55 143.38 95.41 2.98 1.61 60.50 30.13 4.30 0.89 0.65 0.00 0.91 2.61 48 A C C 26.19 11.81 16.78 29.77 118.91 -124.16 -79.35 154.55 97.30 0.28 2.43 87.87 8.27 0.71 2.68 0.19 0.00 0.08 0.20 49 P H H 64.89 7.83 18.93 27.97 92.16 -111.83 -58.10 -36.46 11.24 0.04 88.72 2.06 1.79 7.08 87.53 1.49 0.01 0.01 0.02 50 Y H H 79.23 12.82 19.39 32.05 92.21 53.43 -64.97 -38.88 7.17 0.03 92.80 1.06 0.75 5.14 91.33 1.68 0.02 0.01 0.02 51 E H H 46.33 15.67 18.37 33.70 92.53 50.86 -65.80 -40.10 2.37 0.01 97.62 0.71 0.24 1.26 96.48 1.30 0.00 0.00 0.00 52 R H H 101.61 8.60 21.29 30.10 91.88 51.21 -64.83 -41.09 0.47 0.00 99.53 0.12 0.04 0.22 99.41 0.22 0.00 0.00 0.00 53 R H H 96.56 8.40 22.42 31.02 91.95 50.08 -64.53 -41.03 0.37 0.00 99.63 0.05 0.02 0.22 99.52 0.18 0.00 0.00 0.00 54 V H H 16.11 18.71 18.63 37.39 92.05 50.25 -64.71 -42.22 0.36 0.00 99.63 0.04 0.01 0.24 99.52 0.18 0.00 0.00 0.00 55 M H H 48.77 12.39 20.60 33.38 91.52 51.12 -63.20 -41.71 0.24 0.00 99.76 0.02 0.01 0.16 99.67 0.13 0.00 0.00 0.00 56 E H H 79.88 4.84 22.82 27.67 91.51 50.89 -63.99 -41.20 0.35 0.00 99.65 0.03 0.01 0.26 99.40 0.30 0.00 0.00 0.00 57 L H H 30.48 12.37 17.96 31.56 91.70 50.66 -64.69 -41.53 0.48 0.00 99.52 0.03 0.02 0.38 98.77 0.80 0.00 0.00 0.00 58 I H H 32.48 16.54 15.18 31.81 92.09 49.53 -65.67 -39.24 1.71 0.00 98.28 0.11 0.09 1.37 97.06 1.37 0.00 0.00 0.00 59 R H H 144.32 4.19 18.40 23.44 91.95 51.38 -68.05 -33.17 10.96 0.01 89.03 0.29 0.43 10.38 87.89 0.99 0.01 0.00 0.01 60 N H H 104.07 3.03 16.85 20.09 99.22 36.96 -100.75 -2.27 38.28 0.06 61.65 1.79 3.48 31.73 61.77 1.14 0.02 0.02 0.05 61 S C C 34.59 15.38 8.48 22.88 113.63 101.16 -88.69 138.11 94.88 0.45 4.66 65.14 12.63 17.09 3.39 1.19 0.00 0.16 0.41 62 Q C C 154.46 0.90 17.20 16.78 96.02 -159.06 -84.63 -2.35 98.58 0.31 1.11 49.41 38.88 10.40 0.43 0.56 0.00 0.12 0.21 63 D C C 53.48 10.32 10.38 22.23 109.17 108.91 -81.48 115.24 98.43 0.42 1.15 81.45 15.71 1.22 0.81 0.28 0.00 0.11 0.42 64 K H H 141.83 2.86 15.72 20.12 93.57 -165.23 -65.48 -33.74 7.04 0.02 92.94 2.21 1.91 2.45 92.90 0.50 0.00 0.00 0.01 65 R H H 131.00 3.12 19.21 22.42 91.60 54.94 -64.20 -40.98 1.68 0.00 98.32 0.26 0.18 1.05 98.06 0.44 0.00 0.00 0.00 66 A H H 10.48 16.70 14.43 32.10 91.93 49.97 -64.54 -42.28 0.70 0.00 99.29 0.16 0.06 0.38 98.92 0.48 0.00 0.00 0.00 67 R H H 71.06 13.57 17.08 30.76 91.46 51.66 -62.86 -41.90 0.28 0.00 99.72 0.06 0.02 0.13 99.60 0.18 0.00 0.00 0.00 68 K H H 114.91 2.03 24.09 24.37 91.87 50.02 -64.14 -42.03 0.34 0.00 99.66 0.06 0.02 0.18 99.66 0.08 0.00 0.00 0.00 69 L H H 44.38 7.77 20.57 29.62 91.72 49.76 -63.98 -42.65 0.49 0.00 99.51 0.06 0.03 0.30 99.49 0.12 0.00 0.00 0.00 70 A H H 4.78 20.58 13.31 34.59 91.28 51.24 -63.14 -42.34 0.76 0.00 99.23 0.10 0.06 0.45 99.29 0.08 0.00 0.00 0.00 71 K H H 99.28 8.21 17.42 26.45 91.81 51.03 -63.98 -39.78 0.85 0.00 99.15 0.09 0.06 0.54 99.19 0.12 0.00 0.00 0.00 72 K H H 152.34 1.11 19.41 18.87 92.32 49.26 -66.76 -38.12 1.29 0.00 98.71 0.06 0.06 1.06 98.60 0.22 0.00 0.00 0.00 73 R H H 119.18 6.62 16.87 24.36 98.50 36.84 -83.85 -37.76 3.50 0.00 96.50 0.07 0.16 3.27 96.24 0.26 0.00 0.00 0.00 74 L H H 49.70 12.68 12.55 25.78 102.15 25.77 -104.49 -16.74 10.46 0.03 89.51 0.51 1.39 8.06 89.77 0.22 0.02 0.01 0.02 75 G C S 47.10 2.57 17.47 20.34 101.96 -126.19 78.70 -6.86 99.35 0.20 0.45 32.09 62.28 5.05 0.24 0.14 0.00 0.07 0.13 76 T C S 62.84 3.24 18.25 21.63 134.08 26.73 -137.98 161.29 97.72 1.30 0.98 41.39 55.14 0.98 0.85 0.15 0.00 0.22 1.26 77 L H H 83.58 11.37 12.28 24.25 92.04 -113.26 -60.28 -37.22 6.87 0.02 93.10 1.24 2.89 2.79 92.44 0.61 0.01 0.00 0.02 78 K H H 147.90 1.24 18.79 18.87 91.63 53.14 -63.14 -41.46 2.81 0.00 97.19 0.25 0.34 2.05 96.62 0.73 0.00 0.00 0.00 79 R H H 115.58 3.70 19.28 23.24 92.25 47.02 -66.51 -39.44 1.35 0.00 98.65 0.22 0.13 0.89 97.82 0.94 0.00 0.00 0.00 80 A H H 6.83 18.54 12.29 31.60 91.11 51.71 -62.81 -42.94 0.58 0.00 99.42 0.11 0.05 0.31 99.22 0.31 0.00 0.00 0.00 81 K H H 101.05 7.12 20.25 28.06 91.73 51.37 -63.16 -41.25 0.33 0.00 99.67 0.05 0.02 0.18 99.65 0.10 0.00 0.00 0.00 82 G H H 36.32 2.14 22.37 22.96 91.46 50.10 -63.88 -42.08 0.28 0.00 99.72 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 83 K H H 71.30 10.37 19.73 30.56 92.16 49.43 -66.05 -40.62 0.23 0.00 99.77 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 84 I H H 27.29 17.75 16.02 33.74 91.80 51.10 -63.46 -42.57 0.13 0.00 99.87 0.02 0.01 0.07 99.89 0.03 0.00 0.00 0.00 85 E H H 112.49 2.53 22.67 24.42 91.41 50.40 -63.69 -41.52 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 86 E H H 105.56 2.82 22.10 24.28 91.71 49.35 -64.91 -41.24 0.20 0.00 99.80 0.02 0.00 0.13 99.81 0.03 0.00 0.00 0.00 87 L H H 22.61 16.87 16.59 33.95 92.11 49.87 -64.83 -41.57 0.26 0.00 99.74 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 88 T H H 52.05 10.31 18.89 29.76 91.50 52.00 -63.01 -40.86 0.26 0.00 99.74 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 89 S H H 63.53 2.05 22.09 22.49 92.00 50.26 -64.71 -41.05 0.30 0.00 99.70 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 90 V H H 53.54 7.68 19.41 28.12 92.06 49.55 -64.77 -42.88 0.24 0.00 99.76 0.03 0.01 0.15 99.76 0.04 0.00 0.00 0.00 91 I H H 35.39 13.74 16.14 30.62 92.02 49.01 -64.50 -42.32 0.26 0.00 99.74 0.04 0.02 0.15 99.74 0.05 0.00 0.00 0.00 92 Q H H 90.94 3.61 18.87 22.78 91.66 50.51 -63.51 -41.32 0.37 0.00 99.63 0.05 0.02 0.21 99.64 0.08 0.00 0.00 0.00 93 S H H 58.46 2.30 17.68 19.62 91.90 50.30 -64.82 -40.31 0.80 0.00 99.20 0.10 0.05 0.51 99.16 0.18 0.00 0.00 0.00 94 S H H 37.40 7.71 13.10 22.71 92.28 51.42 -66.20 -39.04 2.15 0.00 97.84 0.29 0.16 1.42 97.72 0.41 0.00 0.00 0.00 95 R H H 128.44 4.86 13.03 19.41 92.36 51.98 -66.27 -37.69 6.44 0.02 93.54 0.87 0.56 4.43 93.33 0.80 0.00 0.01 0.01 96 L H H 126.58 1.19 12.59 13.69 93.16 52.53 -68.89 -30.83 19.81 0.08 80.12 3.37 2.02 13.48 79.98 1.06 0.01 0.03 0.05 97 A H H 78.37 2.24 9.93 13.33 96.13 56.18 -78.08 -14.93 48.37 0.22 51.41 21.49 1.45 23.00 52.83 1.01 0.00 0.07 0.15 98 H C C 130.62 4.32 10.46 16.46 102.53 76.67 -83.11 42.38 99.91 0.02 0.07 99.63 0.11 0.18 0.06 0.00 0.00 0.01 0.00