# 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 105.74 5.72 12.45 19.47 113.15 -162.19 -87.91 132.10 99.77 0.08 0.15 99.62 0.13 0.10 0.10 0.01 0.00 0.03 0.02 1 A C C 67.11 4.39 9.97 16.02 108.16 -114.38 -77.92 139.28 72.25 0.86 26.89 66.60 1.31 4.88 24.33 2.07 0.00 0.44 0.37 2 T C C 86.84 3.38 9.85 14.69 108.92 -135.00 -84.62 130.06 62.83 1.21 35.96 45.69 8.34 8.18 32.38 4.29 0.00 0.61 0.52 3 Q C H 118.81 3.08 10.53 14.92 99.38 -78.61 -73.17 -26.72 49.54 0.96 49.50 33.14 9.08 7.96 43.82 5.13 0.01 0.46 0.40 4 K H H 124.64 3.04 11.53 15.77 98.13 62.38 -71.61 -34.75 41.94 0.70 57.36 27.85 7.83 7.23 51.90 4.58 0.00 0.33 0.28 5 E H H 107.60 3.68 11.96 16.89 97.21 57.59 -70.41 -36.93 36.39 0.56 63.05 25.63 5.73 5.86 58.44 3.86 0.00 0.27 0.20 6 T H H 72.67 4.27 12.20 17.81 96.25 55.99 -70.05 -37.72 31.12 0.55 68.33 21.75 4.90 5.39 64.07 3.42 0.00 0.26 0.20 7 T H H 74.94 3.89 13.01 18.09 95.08 53.98 -68.85 -37.96 28.41 0.56 71.03 18.94 4.70 5.68 66.84 3.35 0.00 0.27 0.20 8 R H H 129.68 3.60 13.38 18.13 94.90 53.68 -68.43 -37.76 29.09 0.58 70.33 18.61 5.13 6.20 66.26 3.30 0.00 0.28 0.21 9 K H H 114.71 4.05 13.82 18.96 94.79 53.52 -68.68 -38.02 32.14 0.63 67.23 21.12 5.13 6.55 63.49 3.17 0.00 0.30 0.24 10 R H H 128.53 4.47 14.00 19.54 95.16 53.13 -69.21 -37.67 34.49 0.64 64.87 22.59 5.31 7.00 61.57 2.98 0.00 0.29 0.25 11 D H H 82.45 4.41 14.67 20.05 96.17 52.76 -70.40 -34.90 37.81 0.55 61.64 25.13 5.28 7.59 58.45 3.08 0.00 0.24 0.23 12 K H H 112.12 4.92 14.92 20.85 94.71 55.81 -68.43 -35.50 32.01 0.46 67.53 16.98 6.06 9.50 63.69 3.37 0.01 0.20 0.19 13 S H H 54.04 6.34 15.54 22.86 95.83 54.77 -70.22 -36.38 33.40 0.55 66.05 18.76 5.77 9.59 62.02 3.38 0.01 0.25 0.23 14 V H H 69.86 6.33 15.98 23.38 95.59 54.67 -69.02 -37.91 28.65 0.56 70.80 17.69 5.15 6.58 67.35 2.77 0.01 0.25 0.21 15 N H H 80.94 5.03 17.70 23.35 95.10 53.18 -68.44 -38.59 26.86 0.52 72.63 17.28 3.80 6.37 69.32 2.78 0.00 0.25 0.19 16 F H H 76.98 10.27 16.42 27.26 93.73 52.50 -66.09 -38.40 18.44 0.37 81.19 9.47 2.94 6.62 77.51 3.12 0.01 0.19 0.15 17 R H H 106.11 9.29 18.10 27.78 92.53 53.97 -65.20 -39.50 11.50 0.22 88.28 5.27 1.69 4.85 85.70 2.28 0.01 0.11 0.08 18 L H H 76.08 4.98 18.91 24.49 92.40 51.26 -65.16 -41.50 6.93 0.09 92.98 2.13 1.03 3.90 91.49 1.36 0.01 0.04 0.04 19 G H H 28.75 5.53 19.09 25.45 92.41 50.87 -64.19 -42.81 5.81 0.06 94.13 1.70 0.73 3.40 93.29 0.83 0.01 0.03 0.02 20 L H H 42.73 12.45 17.63 30.67 92.41 49.36 -64.98 -42.03 1.22 0.01 98.77 0.34 0.13 0.68 98.59 0.26 0.00 0.00 0.00 21 R H H 92.84 11.01 18.31 29.56 92.00 50.63 -63.96 -41.54 0.46 0.00 99.54 0.10 0.04 0.27 99.45 0.14 0.00 0.00 0.00 22 N H H 87.24 3.20 20.76 23.60 92.05 49.51 -65.03 -40.70 0.47 0.00 99.53 0.08 0.03 0.31 99.43 0.15 0.00 0.00 0.00 23 M H H 71.01 5.64 18.92 25.43 91.95 49.77 -64.91 -41.94 0.40 0.00 99.59 0.05 0.02 0.27 99.52 0.13 0.00 0.00 0.00 24 L H H 28.98 12.83 14.31 28.52 91.84 50.24 -64.76 -39.76 0.49 0.00 99.51 0.05 0.03 0.36 99.36 0.20 0.00 0.00 0.00 25 A H H 46.35 7.72 14.00 23.28 91.71 54.52 -64.56 -35.35 2.23 0.00 97.76 0.10 0.08 2.01 97.35 0.45 0.00 0.00 0.00 26 Q H H 131.34 1.35 16.83 17.35 92.83 51.11 -68.59 -36.30 6.63 0.00 93.36 0.16 0.27 6.26 92.88 0.41 0.01 0.00 0.00 27 I H H 93.76 4.87 14.54 20.52 98.76 37.19 -85.47 -34.17 10.20 0.03 89.76 0.38 1.31 8.42 89.60 0.23 0.03 0.00 0.02 28 H C C 69.67 8.74 10.14 20.53 112.92 23.40 -132.94 77.25 99.64 0.17 0.19 73.06 26.12 0.43 0.13 0.05 0.00 0.04 0.17 29 P C T 97.42 3.88 11.23 17.54 93.64 170.09 -64.04 -24.56 93.50 0.15 6.36 7.76 5.28 80.31 1.22 5.27 0.00 0.08 0.09 30 D C T 128.60 0.65 14.58 13.66 94.70 55.69 -87.90 2.24 92.06 0.17 7.76 5.77 6.29 79.87 1.74 6.14 0.00 0.10 0.09 31 I C C 52.14 12.77 8.63 21.89 115.61 104.74 -87.75 132.76 90.15 0.69 9.15 64.10 20.95 5.31 4.26 4.51 0.00 0.24 0.63 32 S C C 64.16 3.49 17.83 21.65 114.95 -141.84 -87.56 150.16 86.95 1.46 11.59 74.70 7.32 4.34 10.22 1.84 0.00 0.53 1.07 33 V H H 61.32 13.02 12.96 26.03 98.33 -134.22 -72.56 -24.23 49.25 1.26 49.48 30.50 11.11 7.66 47.47 2.22 0.01 0.51 0.52 34 Q H H 94.22 6.97 15.99 23.88 96.49 67.38 -67.82 -39.80 23.48 0.43 76.09 15.66 3.79 4.41 74.26 1.54 0.00 0.19 0.16 35 T H H 84.12 3.25 17.34 20.91 93.50 47.27 -66.64 -40.22 4.48 0.05 95.47 2.07 0.80 1.76 94.26 1.07 0.00 0.02 0.01 36 E H H 107.87 3.45 18.38 22.09 92.44 49.54 -66.36 -40.39 2.33 0.03 97.64 0.97 0.33 1.06 96.81 0.80 0.00 0.02 0.01 37 A H H 21.89 12.31 14.95 28.68 92.37 50.37 -65.07 -41.70 1.68 0.02 98.30 0.63 0.20 0.80 97.81 0.54 0.00 0.01 0.00 38 L H H 59.62 10.06 17.07 28.06 91.85 50.80 -63.75 -40.94 0.91 0.01 99.08 0.35 0.10 0.41 98.89 0.25 0.00 0.00 0.00 39 S H H 59.79 2.94 20.79 23.23 91.98 51.05 -64.29 -41.59 0.81 0.01 99.18 0.24 0.07 0.43 99.07 0.19 0.00 0.00 0.00 40 E H H 83.03 6.48 20.16 27.19 91.92 49.73 -65.24 -41.73 0.63 0.00 99.36 0.14 0.05 0.37 99.30 0.14 0.00 0.00 0.00 41 L H H 41.04 14.79 17.60 32.53 91.96 50.39 -64.49 -41.30 0.54 0.00 99.46 0.11 0.04 0.30 99.45 0.10 0.00 0.00 0.00 42 S H H 46.62 8.17 19.72 28.62 91.44 51.93 -63.78 -40.23 0.80 0.00 99.20 0.15 0.05 0.46 99.23 0.11 0.00 0.00 0.00 43 N H H 87.27 2.93 22.21 24.46 91.82 50.54 -65.35 -40.70 0.85 0.00 99.15 0.13 0.05 0.54 99.16 0.12 0.00 0.00 0.00 44 I H H 53.19 10.43 20.00 31.04 91.80 50.05 -64.63 -42.47 0.43 0.00 99.57 0.07 0.02 0.26 99.56 0.09 0.00 0.00 0.00 45 A H H 24.64 14.62 18.15 33.17 91.93 51.09 -64.14 -41.85 0.34 0.00 99.66 0.05 0.02 0.20 99.64 0.09 0.00 0.00 0.00 46 V H H 71.77 5.35 21.25 27.00 91.86 50.15 -64.43 -41.80 0.57 0.00 99.42 0.07 0.03 0.38 99.39 0.12 0.00 0.00 0.00 47 F H H 96.89 4.48 21.91 26.35 92.00 49.35 -64.92 -42.03 0.84 0.00 99.16 0.10 0.05 0.57 99.11 0.17 0.00 0.00 0.00 48 L H H 39.45 13.28 18.74 32.54 92.08 50.15 -64.67 -41.97 0.94 0.00 99.06 0.12 0.06 0.61 98.94 0.28 0.00 0.00 0.00 49 G H H 20.83 12.61 17.70 30.84 92.03 52.18 -63.65 -40.70 2.14 0.01 97.85 0.28 0.14 1.49 97.44 0.64 0.00 0.00 0.00 50 K H H 119.21 3.34 21.20 24.61 92.26 50.45 -65.51 -39.65 5.21 0.03 94.75 0.58 0.40 4.02 93.79 1.17 0.01 0.02 0.01 51 K H H 93.93 6.86 19.70 27.00 92.62 49.30 -66.87 -39.29 9.17 0.16 90.68 1.58 1.04 6.50 89.21 1.51 0.03 0.08 0.05 52 I H H 44.63 14.62 16.33 30.98 93.87 47.88 -68.02 -39.31 17.19 1.00 81.82 5.43 3.07 9.62 78.53 2.32 0.13 0.54 0.36 53 S H H 51.25 9.02 16.96 26.65 93.89 52.59 -68.17 -35.23 27.49 1.06 71.45 9.12 4.12 15.02 66.05 4.55 0.12 0.60 0.42 54 H H H 127.31 3.17 18.81 22.14 96.26 49.88 -74.95 -22.57 41.82 0.67 57.51 5.60 5.70 30.52 50.36 6.94 0.18 0.34 0.36 55 G C H 32.19 8.69 17.53 26.66 98.75 26.95 -21.66 -14.04 50.81 0.79 48.40 10.01 7.71 33.28 39.68 8.42 0.09 0.39 0.43 56 A H H 32.33 14.79 14.33 28.95 95.84 74.34 -69.52 -29.16 37.67 2.38 59.95 17.56 7.08 12.82 36.68 23.60 0.07 1.44 0.75 57 V H H 72.33 9.99 16.77 27.11 97.36 63.22 -76.31 -20.73 30.90 8.17 60.94 14.30 6.12 10.94 34.35 26.50 0.18 6.26 1.36 58 T H H 84.97 4.94 19.04 24.46 99.02 61.23 -80.85 -11.49 32.17 14.08 53.75 14.42 6.85 12.06 30.19 23.10 0.31 11.17 1.90 59 L H H 64.29 12.05 14.88 27.33 99.83 55.49 -88.52 -5.60 38.18 19.75 42.07 18.42 10.17 12.52 25.03 14.90 1.09 13.17 4.71 60 L C C 58.19 12.65 11.98 25.25 116.93 92.33 -91.37 133.61 72.48 12.55 14.98 45.17 21.49 5.95 11.63 4.03 0.05 8.17 3.51 61 P C C 75.09 6.01 12.59 20.17 111.37 -113.79 -71.01 145.20 74.76 7.75 17.49 44.35 9.43 21.00 9.69 7.76 0.02 5.76 2.00 62 E C T 148.48 2.40 11.17 15.09 109.22 -93.23 -75.16 122.05 79.41 3.37 17.23 20.90 15.01 44.02 8.37 8.21 0.04 1.96 1.50 63 G C T 62.68 1.07 12.49 13.40 102.05 14.47 83.55 -1.87 89.15 1.37 9.48 32.10 19.67 38.02 3.31 5.52 0.00 0.69 0.69 64 T C C 84.84 5.01 10.09 16.84 113.07 100.57 -95.37 125.95 93.25 1.92 4.83 67.05 14.48 11.97 1.92 2.70 0.00 1.20 0.68 65 K C C 137.24 4.62 12.54 18.82 104.83 -152.71 -87.34 24.10 86.25 9.35 4.40 66.96 13.14 6.10 2.26 2.10 0.00 7.88 1.56 66 T C C 80.45 6.07 15.80 23.08 117.67 90.31 -104.92 133.84 68.13 27.45 4.42 55.88 8.32 2.82 3.12 1.73 0.00 23.50 4.63 67 I C C 35.90 18.21 11.05 28.77 117.15 -143.48 -101.68 129.11 61.30 35.93 2.77 54.92 4.77 0.79 2.62 0.70 0.00 27.76 8.45 68 K C C 104.66 4.19 21.90 25.96 122.31 -144.71 -88.77 157.85 80.22 16.13 3.65 77.64 2.56 0.59 3.78 0.40 0.00 12.44 2.59 69 S H H 49.13 14.33 14.49 28.51 92.43 -105.89 -58.79 -39.41 3.68 0.04 96.27 1.37 0.58 1.53 95.96 0.52 0.00 0.02 0.01 70 S H H 68.40 3.87 20.77 25.06 92.14 53.27 -64.79 -38.75 1.41 0.01 98.57 0.38 0.15 0.74 98.35 0.38 0.00 0.01 0.00 71 A H H 32.49 10.13 19.70 30.74 92.06 50.55 -65.66 -41.05 0.48 0.01 99.51 0.14 0.05 0.23 99.29 0.29 0.00 0.00 0.00 72 V H H 9.29 22.21 17.65 39.72 91.70 49.31 -63.84 -43.43 0.22 0.00 99.78 0.05 0.02 0.10 99.75 0.08 0.00 0.00 0.00 73 L H H 53.76 14.09 22.08 35.52 91.48 50.41 -62.91 -42.26 0.23 0.00 99.77 0.04 0.01 0.12 99.78 0.05 0.00 0.00 0.00 74 L H H 81.05 4.54 26.23 30.77 91.71 49.48 -64.13 -42.49 0.42 0.00 99.58 0.05 0.02 0.25 99.59 0.08 0.00 0.00 0.00 75 A H H 14.61 14.93 22.10 37.54 91.75 49.92 -64.01 -42.73 0.96 0.01 99.04 0.13 0.06 0.62 99.04 0.15 0.00 0.00 0.00 76 A H H 5.99 21.34 19.32 40.69 91.37 50.25 -63.85 -42.35 1.39 0.01 98.60 0.21 0.12 0.89 98.42 0.34 0.00 0.00 0.00 77 G H H 23.98 10.28 20.64 31.58 91.93 52.20 -63.81 -40.42 2.98 0.02 97.01 0.36 0.24 2.16 96.53 0.69 0.00 0.01 0.00 78 D H H 81.54 5.39 22.32 27.90 92.61 49.68 -67.92 -38.44 4.96 0.02 95.01 0.37 0.40 4.11 94.20 0.89 0.02 0.01 0.01 79 L H H 47.78 14.93 18.38 32.88 96.82 41.95 -77.11 -39.45 8.35 0.04 91.62 0.43 0.87 7.03 90.87 0.73 0.03 0.01 0.02 80 Y H H 61.05 14.90 15.09 30.00 100.41 30.14 -101.18 -8.88 27.23 0.37 72.40 3.55 8.63 15.96 70.48 0.92 0.10 0.09 0.27 81 G C C 40.58 4.20 17.83 22.83 110.95 -116.85 77.81 35.27 76.26 0.51 23.24 50.90 6.29 18.56 14.76 8.91 0.00 0.25 0.34 82 K C T 131.60 5.79 15.40 22.13 100.74 -37.33 -64.09 -25.07 54.33 0.60 45.08 9.61 12.99 31.14 27.18 18.27 0.07 0.26 0.47 83 D H H 90.83 4.22 18.51 23.06 98.27 58.96 -78.92 -2.45 44.70 0.59 54.72 17.13 7.36 19.98 37.61 17.25 0.03 0.28 0.35 84 L H H 35.00 15.54 14.29 30.02 94.04 105.39 -66.13 -37.38 21.46 0.42 78.12 10.10 3.72 8.05 63.44 14.26 0.02 0.23 0.17 85 G H H 18.92 14.43 15.35 30.01 92.73 57.31 -64.40 -37.06 16.41 0.41 83.18 6.81 2.43 7.07 67.47 15.82 0.02 0.26 0.12 86 R H H 147.54 3.05 21.23 24.41 92.80 52.94 -67.77 -35.04 14.76 0.46 84.77 5.14 2.51 7.08 69.25 15.52 0.05 0.30 0.14 87 H H H 91.15 7.22 19.50 27.14 95.12 48.95 -72.62 -33.07 20.47 1.08 78.46 8.85 3.95 8.76 65.30 12.03 0.08 0.69 0.35 88 A H H 22.51 16.49 15.21 31.47 94.97 59.83 -66.82 -40.04 27.76 2.60 69.64 17.25 5.24 7.40 62.15 5.54 0.06 1.61 0.74 89 V H H 67.43 9.63 18.02 27.97 94.07 51.03 -67.75 -39.34 25.64 2.05 72.31 14.79 4.72 7.78 66.48 4.30 0.06 1.32 0.55 90 G H H 38.17 3.65 19.40 23.03 94.42 50.92 -65.27 -43.24 26.80 0.97 72.23 13.63 5.03 9.47 66.54 4.42 0.04 0.55 0.32 91 E H H 95.61 6.63 18.56 25.73 94.09 44.07 -68.65 -37.45 21.51 0.58 77.91 9.52 4.02 8.88 72.53 4.49 0.04 0.32 0.21 92 M H H 54.24 14.32 15.14 29.37 93.34 53.23 -66.66 -38.28 20.53 0.58 78.89 11.25 3.26 6.83 73.97 4.15 0.02 0.34 0.19 93 T H H 65.65 6.75 18.00 25.55 92.60 53.08 -65.74 -39.93 15.24 0.65 84.11 9.52 2.41 4.34 79.55 3.60 0.01 0.41 0.16 94 K H H 118.66 2.87 20.19 22.74 92.70 51.23 -66.53 -39.59 11.86 0.73 87.40 6.66 2.00 4.14 82.60 3.90 0.02 0.53 0.15 95 A H H 32.00 10.06 15.67 27.18 92.86 52.47 -65.65 -40.08 12.44 1.06 86.50 6.97 2.02 4.36 81.43 4.17 0.02 0.86 0.19 96 V H H 55.87 10.54 15.40 26.76 93.26 50.74 -66.70 -39.54 14.04 2.00 83.96 8.04 2.37 4.71 78.99 3.86 0.03 1.69 0.30 97 T H H 79.07 3.87 16.84 21.24 93.95 52.03 -68.32 -37.80 20.64 2.43 76.93 11.86 3.37 6.61 72.29 3.50 0.04 1.89 0.44 98 R H H 141.72 3.40 15.70 19.92 95.59 53.31 -72.55 -33.03 30.33 2.19 67.47 15.57 4.87 11.03 63.06 3.40 0.05 1.49 0.55 99 Y H H 113.06 8.91 11.35 21.11 99.88 56.99 -78.34 -17.88 39.04 1.72 59.24 18.82 7.33 14.23 54.76 3.26 0.05 0.92 0.62 100 G C H 48.79 4.59 12.63 18.54 101.61 48.49 -65.95 -17.08 53.33 1.31 45.36 24.08 9.69 20.09 41.39 3.53 0.04 0.62 0.56 101 S C C 80.99 2.91 10.71 15.02 103.05 67.95 -85.27 13.66 64.93 1.71 33.36 31.01 12.68 21.77 28.77 4.18 0.03 0.79 0.77 102 A C C 73.99 4.43 8.30 14.61 108.15 104.28 -84.80 106.92 80.57 1.43 18.01 61.54 3.38 15.38 15.69 2.55 0.00 0.73 0.73 103 K C C 151.44 2.57 12.02 16.21 109.74 -149.20 -89.04 115.32 99.86 0.06 0.08 99.67 0.11 0.13 0.04 0.00 0.00 0.03 0.01