# 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 A C C 52.56 6.49 12.98 20.67 103.13 -126.74 -73.68 51.82 99.75 0.02 0.23 99.67 0.06 0.08 0.17 0.01 0.00 0.01 0.01 1 Q H H 118.43 2.09 11.41 14.42 94.70 82.87 -65.05 -37.72 13.00 0.05 86.95 8.53 0.61 3.40 86.20 1.21 0.00 0.02 0.02 2 F H H 138.43 1.62 11.08 13.26 92.88 52.66 -66.21 -39.30 7.83 0.05 92.13 2.57 1.04 4.17 90.52 1.66 0.01 0.02 0.02 3 V H H 84.97 2.74 11.64 15.27 92.61 50.27 -66.32 -40.26 3.72 0.03 96.25 1.36 0.50 1.85 94.41 1.85 0.00 0.02 0.01 4 R H H 134.38 1.98 12.93 15.41 92.24 51.74 -64.90 -40.40 2.19 0.01 97.80 0.80 0.28 1.04 96.86 1.00 0.00 0.01 0.00 5 N H H 86.43 2.16 13.26 15.96 92.19 50.41 -65.34 -39.43 2.90 0.02 97.09 0.78 0.29 1.65 96.39 0.87 0.00 0.01 0.00 6 L H H 88.30 3.45 13.02 17.44 92.55 51.26 -65.46 -40.03 2.00 0.01 97.99 0.35 0.18 1.30 97.21 0.96 0.00 0.00 0.00 7 V H H 85.22 3.12 13.89 17.65 92.69 50.44 -66.29 -39.04 2.81 0.01 97.18 0.32 0.21 2.08 95.85 1.55 0.00 0.00 0.00 8 E H H 124.27 1.78 15.11 16.71 92.86 50.77 -68.44 -34.95 15.23 0.01 84.76 0.47 0.57 14.20 83.09 1.65 0.01 0.00 0.01 9 K H H 112.86 3.62 14.41 18.94 94.88 48.81 -77.85 -25.96 23.81 0.02 76.17 0.93 1.25 21.09 75.18 1.52 0.01 0.00 0.01 10 T H H 58.35 6.39 13.10 20.87 93.04 68.55 -62.22 -42.48 3.48 0.00 96.52 1.36 0.45 1.40 95.31 1.49 0.00 0.00 0.00 11 P H H 74.22 3.18 15.82 19.60 92.08 50.65 -64.13 -39.47 1.42 0.00 98.58 0.33 0.11 0.78 97.07 1.71 0.00 0.00 0.00 12 A H H 62.74 2.34 16.31 18.60 92.26 50.90 -65.29 -40.04 0.70 0.00 99.30 0.14 0.06 0.40 97.86 1.54 0.00 0.00 0.00 13 L H H 88.19 4.02 15.78 20.47 92.32 49.92 -65.58 -40.86 0.80 0.00 99.20 0.16 0.07 0.46 98.60 0.70 0.00 0.00 0.00 14 V H H 72.14 5.19 15.46 21.31 91.91 49.53 -64.58 -41.18 1.07 0.00 98.93 0.20 0.09 0.63 98.81 0.28 0.00 0.00 0.00 15 N H H 91.14 2.63 17.16 19.94 92.13 50.17 -64.81 -39.99 1.60 0.00 98.40 0.24 0.11 1.02 98.29 0.34 0.00 0.00 0.00 16 A H H 54.34 2.96 16.14 19.63 92.09 51.50 -64.35 -40.70 2.28 0.01 97.71 0.28 0.16 1.58 97.36 0.61 0.00 0.00 0.00 17 A H H 50.29 5.04 15.32 21.36 92.14 50.55 -64.92 -40.08 3.11 0.01 96.88 0.46 0.26 2.10 96.06 1.10 0.01 0.00 0.00 18 V H H 73.80 5.14 15.10 21.11 92.77 49.62 -66.67 -39.39 4.45 0.03 95.52 0.83 0.46 2.95 92.78 2.93 0.02 0.02 0.01 19 T H H 82.04 2.52 16.27 18.96 93.40 50.67 -67.69 -38.80 8.35 0.06 91.59 1.11 0.75 6.29 86.74 5.03 0.03 0.03 0.02 20 Y H H 143.85 2.67 15.60 18.50 95.05 47.35 -73.63 -31.29 21.14 0.09 78.77 2.00 1.93 16.92 74.42 4.59 0.05 0.04 0.06 21 S H H 49.06 7.34 12.81 21.23 95.31 57.67 -72.84 -28.03 33.76 0.21 66.03 7.76 6.39 20.56 60.81 4.18 0.05 0.08 0.16 22 K H H 116.50 4.28 14.88 20.32 94.43 70.96 -65.62 -39.97 26.19 0.24 73.57 13.28 5.85 7.84 67.22 5.58 0.01 0.10 0.12 23 P H H 77.35 3.10 15.51 19.14 93.91 50.38 -66.13 -37.65 20.56 0.23 79.21 11.08 2.50 7.54 73.01 5.64 0.01 0.12 0.10 24 R H H 125.82 4.44 15.39 20.75 92.96 52.24 -66.34 -38.96 12.08 0.23 87.70 6.02 1.69 4.90 80.10 7.06 0.01 0.14 0.08 25 L H H 78.05 5.71 15.03 21.69 92.52 52.25 -64.83 -40.57 8.64 0.20 91.17 4.77 1.33 3.20 85.88 4.63 0.01 0.12 0.06 26 A H H 52.92 3.38 15.82 20.12 92.31 51.79 -64.49 -39.97 7.37 0.17 92.46 3.44 0.97 3.25 88.25 3.92 0.01 0.11 0.05 27 T H H 64.25 4.03 15.75 20.82 92.36 50.54 -65.37 -41.05 6.49 0.14 93.36 2.39 0.88 3.33 89.31 3.94 0.02 0.09 0.04 28 F H H 93.68 6.13 14.68 21.90 92.20 50.76 -64.57 -41.13 4.26 0.08 95.67 1.37 0.54 2.30 91.56 4.14 0.01 0.05 0.02 29 W H H 131.92 4.15 15.06 20.17 92.55 51.21 -65.23 -40.39 4.15 0.10 95.75 1.27 0.55 2.34 90.56 5.18 0.01 0.07 0.03 30 Y H H 131.93 2.60 15.29 18.31 92.62 50.59 -65.77 -39.70 6.38 0.12 93.50 1.34 0.73 4.24 88.27 5.28 0.03 0.08 0.04 31 Y H H 117.64 4.81 13.51 19.57 93.53 47.25 -70.11 -34.33 11.61 0.22 88.17 2.33 1.46 8.02 82.88 5.04 0.06 0.12 0.09 32 A H H 50.96 7.66 11.36 20.41 93.69 58.58 -69.65 -27.44 28.77 0.49 70.74 5.27 3.89 20.21 65.99 4.05 0.11 0.24 0.24 33 K C H 146.16 2.02 14.27 16.85 95.36 55.92 -78.85 -13.34 51.20 1.01 47.79 8.99 7.15 34.70 43.57 4.53 0.12 0.51 0.44 34 V C C 82.77 5.53 11.16 18.30 110.18 80.81 -88.91 118.71 70.45 4.62 24.94 32.48 20.92 16.55 21.65 4.22 0.08 2.86 1.23 35 E C C 127.85 3.88 13.28 18.51 110.49 -140.40 -90.76 115.17 75.10 12.23 12.67 55.76 7.89 10.47 10.28 3.32 0.02 9.87 2.40 36 L C C 91.17 9.15 10.17 20.38 113.77 -155.27 -91.24 126.59 76.39 19.98 3.63 64.78 8.06 2.78 2.51 1.32 0.00 11.67 8.87 37 V C C 95.58 3.74 15.80 20.79 120.74 -168.71 -112.78 134.32 85.26 14.48 0.26 74.38 11.26 0.38 0.15 0.13 0.00 8.98 4.73 38 P C C 79.93 8.40 13.60 23.32 115.32 -105.49 -65.61 146.61 99.33 0.66 0.01 97.41 1.99 0.05 0.00 0.01 0.00 0.45 0.09 39 P C C 40.67 14.41 9.95 24.65 116.22 -107.90 -67.34 151.47 99.53 0.41 0.07 98.11 1.39 0.10 0.03 0.02 0.00 0.12 0.24 40 T C C 78.60 2.29 17.71 19.36 119.86 -115.31 -80.55 161.33 99.75 0.13 0.12 98.20 1.46 0.12 0.05 0.02 0.00 0.03 0.11 41 P H G 96.60 5.30 11.11 18.33 91.61 -107.48 -58.54 -34.64 20.35 0.08 79.57 2.41 1.98 14.86 8.36 72.31 0.00 0.05 0.03 42 A H G 85.42 1.14 14.31 14.85 91.09 59.44 -67.21 -24.31 20.31 0.05 79.64 1.12 1.44 17.00 8.71 71.67 0.00 0.03 0.02 43 E H G 83.26 7.13 13.31 21.92 94.17 51.49 -83.55 -16.62 13.12 0.09 86.79 2.10 1.37 8.97 18.10 69.38 0.00 0.05 0.03 44 I H H 38.29 16.19 10.86 26.99 92.38 74.05 -60.63 -43.64 1.58 0.00 98.42 0.53 0.21 0.58 98.20 0.48 0.00 0.00 0.00 45 P H H 73.38 3.85 17.76 22.30 91.65 51.13 -63.34 -39.94 0.57 0.00 99.43 0.15 0.03 0.26 99.28 0.28 0.00 0.00 0.00 46 R H H 145.12 1.70 20.13 20.54 91.71 49.52 -65.59 -40.66 0.14 0.00 99.86 0.02 0.01 0.07 99.73 0.17 0.00 0.00 0.00 47 A H H 23.39 11.58 15.87 28.93 91.98 50.26 -64.60 -42.01 0.14 0.00 99.86 0.02 0.01 0.07 99.83 0.07 0.00 0.00 0.00 48 I H H 51.22 11.97 17.08 29.74 92.03 49.39 -63.98 -41.87 0.20 0.00 99.80 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 49 Q H H 98.14 2.43 20.88 22.43 91.73 50.47 -63.84 -41.84 0.22 0.00 99.78 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 50 S H H 47.85 4.38 19.34 24.29 91.90 50.38 -64.68 -41.19 0.61 0.00 99.39 0.04 0.02 0.42 99.46 0.06 0.00 0.00 0.00 51 L H H 37.78 14.32 15.73 30.58 92.03 50.50 -64.62 -40.63 0.66 0.00 99.34 0.07 0.03 0.40 99.43 0.07 0.00 0.00 0.00 52 K H H 103.56 6.83 18.96 26.66 91.71 52.30 -63.43 -40.61 0.53 0.00 99.47 0.07 0.03 0.30 99.53 0.07 0.00 0.00 0.00 53 K H H 126.41 2.01 21.26 22.22 91.87 50.80 -65.07 -40.57 0.85 0.00 99.15 0.09 0.05 0.55 99.19 0.11 0.00 0.00 0.00 54 I H H 57.85 9.55 18.06 28.59 92.23 49.57 -65.18 -42.27 1.12 0.00 98.88 0.20 0.09 0.65 98.90 0.16 0.00 0.00 0.00 55 V H H 39.30 12.32 16.58 29.73 92.12 49.24 -64.42 -41.74 1.26 0.01 98.73 0.29 0.13 0.68 98.65 0.24 0.00 0.00 0.00 56 N H H 87.08 2.91 20.50 22.96 92.05 50.33 -64.71 -40.42 2.70 0.02 97.28 0.43 0.26 1.82 96.85 0.61 0.01 0.01 0.00 57 S H H 44.35 4.51 16.79 22.61 92.28 50.82 -64.87 -39.17 5.11 0.03 94.86 0.81 0.53 3.58 93.63 1.42 0.01 0.01 0.01 58 A H H 31.82 12.58 12.66 26.04 92.89 52.55 -66.57 -36.18 7.84 0.04 92.12 1.30 0.82 5.59 89.38 2.84 0.03 0.02 0.02 59 Q H H 119.05 4.20 15.61 21.05 93.33 53.60 -70.83 -29.11 15.67 0.06 84.27 1.32 1.45 12.83 81.93 2.36 0.05 0.03 0.04 60 T H H 97.73 1.62 15.30 16.31 99.18 46.85 -88.65 -8.36 48.22 0.20 51.58 2.51 6.39 38.62 50.00 2.18 0.08 0.06 0.16 61 G C T 46.72 5.07 12.44 18.96 100.06 -109.67 78.60 9.00 95.52 0.30 4.18 16.20 22.28 57.36 1.89 1.93 0.00 0.13 0.20 62 S C C 57.13 4.43 14.16 19.88 101.37 116.12 -91.11 18.01 85.39 1.02 13.59 64.79 9.55 10.03 3.54 10.92 0.00 0.47 0.71 63 F H G 65.69 15.98 9.73 24.91 93.91 114.68 -68.74 -21.16 34.70 0.84 64.46 13.62 5.68 14.53 3.33 62.15 0.00 0.47 0.22 64 K H G 150.16 2.69 15.44 19.34 91.64 70.11 -66.88 -21.69 34.14 0.26 65.60 2.44 3.84 25.67 2.41 65.39 0.00 0.14 0.10 65 Q H G 137.53 1.42 16.06 17.01 94.77 55.82 -89.23 -4.41 35.75 0.32 63.94 2.91 4.23 26.23 1.90 64.45 0.00 0.17 0.12 66 L C S 39.32 15.96 7.23 22.44 118.96 100.11 -83.00 142.99 97.87 1.75 0.38 43.90 53.77 0.28 0.21 0.10 0.00 0.40 1.34 67 T C C 72.55 2.27 18.67 20.09 121.75 -123.92 -79.97 163.96 93.12 6.67 0.22 92.95 0.78 0.05 0.17 0.02 0.00 1.24 4.78 68 V H H 95.14 6.75 13.20 21.32 91.53 -103.44 -58.31 -39.02 1.42 0.00 98.57 0.20 0.19 0.88 98.31 0.42 0.00 0.00 0.00 69 K H H 135.40 2.11 18.13 20.07 91.56 52.58 -64.45 -39.93 0.77 0.00 99.23 0.07 0.05 0.55 98.89 0.44 0.00 0.00 0.00 70 E H H 68.70 9.34 17.02 27.34 92.13 48.05 -66.78 -39.35 0.32 0.00 99.68 0.04 0.02 0.21 99.31 0.43 0.00 0.00 0.00 71 A H H 18.76 15.69 15.06 31.44 91.52 52.58 -62.39 -42.40 0.17 0.00 99.83 0.03 0.01 0.09 99.77 0.10 0.00 0.00 0.00 72 V H H 73.37 6.10 22.27 28.05 91.56 50.05 -64.23 -41.85 0.44 0.00 99.56 0.05 0.02 0.31 99.54 0.08 0.00 0.00 0.00 73 L H H 73.30 6.53 23.33 30.04 91.79 49.34 -64.41 -41.95 0.38 0.00 99.62 0.03 0.02 0.28 99.61 0.07 0.00 0.00 0.00 74 N H H 29.79 16.34 20.26 36.33 91.62 50.01 -63.95 -41.50 0.48 0.00 99.52 0.05 0.03 0.32 99.53 0.07 0.00 0.00 0.00 75 G H H 18.77 13.35 21.35 34.91 91.62 51.42 -63.64 -41.01 0.99 0.00 99.01 0.05 0.04 0.81 99.04 0.07 0.00 0.00 0.00 76 L H H 77.42 6.28 25.19 31.18 91.77 49.91 -64.40 -42.16 0.41 0.00 99.59 0.02 0.02 0.30 99.61 0.05 0.00 0.00 0.00 77 V H H 44.46 10.96 23.79 35.15 91.80 49.06 -64.29 -42.68 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 78 A H H 17.39 16.33 20.80 37.18 91.43 50.92 -62.83 -42.51 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 79 T H H 49.73 9.48 23.88 33.29 91.66 49.33 -64.50 -41.64 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 80 E H H 74.72 8.62 24.10 32.76 91.87 50.24 -64.52 -41.78 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 81 V H H 31.39 14.23 21.26 35.67 92.03 49.69 -64.55 -42.64 0.02 0.00 99.98 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 82 L H H 52.88 12.55 21.74 34.31 91.47 50.51 -63.14 -41.91 0.04 0.00 99.96 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 83 M H H 75.70 8.29 22.52 30.61 91.77 50.23 -64.64 -41.52 0.12 0.00 99.88 0.00 0.00 0.12 99.84 0.03 0.00 0.00 0.00 84 W H H 98.78 10.00 22.23 32.37 92.01 49.33 -64.82 -42.11 0.16 0.00 99.84 0.00 0.00 0.16 99.74 0.08 0.00 0.00 0.00 85 F H H 56.19 14.11 20.75 34.62 92.49 49.35 -65.18 -42.15 0.33 0.00 99.67 0.01 0.01 0.31 99.52 0.14 0.00 0.00 0.00 86 Y H H 80.99 10.75 22.18 32.93 92.25 49.35 -64.69 -42.65 1.03 0.00 98.97 0.05 0.06 0.92 98.70 0.25 0.01 0.00 0.00 87 V H H 56.47 8.29 22.81 31.18 91.86 48.65 -64.60 -42.15 1.69 0.01 98.30 0.12 0.15 1.42 97.61 0.67 0.02 0.01 0.00 88 G H H 14.33 11.28 19.60 32.19 91.81 51.12 -64.00 -41.54 3.34 0.02 96.64 0.30 0.28 2.64 95.06 1.68 0.01 0.01 0.01 89 E H H 56.71 11.00 19.56 31.20 92.11 50.57 -65.39 -40.42 7.22 0.09 92.69 0.59 0.63 6.15 89.69 2.78 0.08 0.04 0.04 90 I H H 63.49 8.25 19.42 28.17 92.63 48.25 -66.33 -41.15 11.73 0.44 87.82 1.41 1.56 9.41 84.58 2.38 0.26 0.23 0.17 91 I H H 80.10 6.79 18.44 25.84 93.84 47.96 -68.91 -36.74 28.25 3.75 68.00 4.18 5.57 20.35 60.62 3.64 2.07 1.80 1.78 92 G C T 28.61 9.86 14.75 25.51 95.43 50.21 -71.88 -30.37 56.41 2.66 40.92 9.96 9.25 37.41 35.20 5.09 0.41 1.28 1.40 93 K C T 111.73 6.84 15.22 22.75 97.97 55.41 -80.65 -8.54 69.57 2.65 27.78 11.32 16.40 41.81 19.54 7.84 0.23 1.28 1.58 94 R C T 157.04 4.00 15.68 20.55 97.56 -44.05 62.62 21.58 77.13 3.49 19.38 15.13 20.85 41.82 10.75 7.55 0.14 1.67 2.10 95 G C C 30.41 9.20 13.01 23.16 121.33 69.83 -8.34 164.73 84.23 5.63 10.15 32.51 26.37 26.36 3.73 5.71 0.03 2.69 2.59 96 I C T 99.18 7.75 12.99 21.49 99.42 -79.51 -78.24 -21.93 82.76 6.25 10.98 17.05 31.30 35.22 3.79 6.18 0.09 2.99 3.38 97 I C T 104.05 5.38 13.34 19.84 102.70 41.24 -91.34 17.82 85.98 4.55 9.46 9.25 21.14 55.66 3.11 5.76 0.08 2.34 2.65 98 G C T 49.61 4.10 13.92 19.17 99.57 -82.22 84.46 2.31 92.61 3.01 4.38 22.70 23.96 46.41 1.11 2.98 0.00 1.70 1.13 99 Y C C 105.81 8.70 10.25 20.23 112.05 117.17 -93.31 121.63 87.27 10.41 2.32 67.10 13.51 6.18 0.88 1.46 0.00 5.16 5.71 100 D C C 103.89 3.69 13.72 18.93 107.96 -147.92 -87.06 102.13 92.08 6.96 0.95 87.29 3.04 2.06 0.38 0.45 0.00 3.82 2.95 101 V C C 64.59 12.43 11.64 24.27 109.64 -164.20 -95.32 108.63 99.83 0.16 0.01 99.67 0.06 0.13 0.00 0.00 0.00 0.08 0.06