# 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 S C C 76.17 4.67 17.90 23.38 112.58 -140.14 -91.08 123.00 99.94 0.04 0.02 99.83 0.09 0.05 0.01 0.00 0.00 0.02 0.01 1 L C C 44.90 17.59 8.84 25.12 116.77 -131.07 -91.15 136.90 97.39 0.89 1.72 95.06 1.55 0.80 1.57 0.14 0.00 0.27 0.61 2 S C C 58.98 2.96 16.25 19.46 119.09 -122.44 -76.87 161.17 97.17 0.44 2.40 93.16 3.07 0.78 2.42 0.17 0.00 0.13 0.26 3 T H H 96.18 4.53 12.41 18.81 92.73 -107.60 -60.51 -37.30 4.97 0.02 95.01 1.70 1.15 1.84 94.95 0.34 0.00 0.00 0.01 4 E H H 133.29 1.36 16.83 17.32 92.35 52.91 -65.12 -40.01 2.07 0.01 97.93 0.48 0.28 1.07 97.86 0.30 0.00 0.00 0.00 5 A H H 31.07 8.87 15.09 25.80 92.04 49.09 -65.25 -40.87 0.95 0.00 99.05 0.28 0.10 0.46 98.88 0.28 0.00 0.00 0.00 6 T H H 27.92 16.62 14.58 31.14 91.70 51.16 -63.53 -42.23 0.45 0.00 99.55 0.12 0.04 0.21 99.52 0.11 0.00 0.00 0.00 7 A H H 48.85 5.83 19.66 26.27 91.65 51.29 -63.90 -40.74 0.38 0.00 99.62 0.06 0.02 0.19 99.66 0.06 0.00 0.00 0.00 8 K H H 116.84 2.46 23.06 24.44 91.91 49.77 -64.73 -41.04 0.54 0.00 99.46 0.07 0.03 0.31 99.51 0.07 0.00 0.00 0.00 9 I H H 15.20 17.12 17.47 35.20 92.14 49.76 -64.09 -43.70 0.66 0.00 99.33 0.10 0.05 0.38 99.36 0.10 0.00 0.00 0.00 10 V H H 22.55 18.16 16.28 34.30 91.81 49.15 -64.03 -41.13 0.65 0.00 99.35 0.10 0.06 0.40 99.20 0.24 0.00 0.00 0.00 11 S H H 71.11 3.01 20.44 23.46 92.11 52.05 -65.34 -37.58 2.11 0.00 97.88 0.18 0.11 1.66 96.43 1.60 0.00 0.00 0.00 12 E H H 118.25 3.72 20.52 24.53 93.24 49.85 -69.64 -34.59 6.01 0.00 93.98 0.23 0.30 5.46 92.54 1.46 0.01 0.00 0.00 13 F H H 49.89 16.48 15.20 31.28 101.01 31.90 -102.51 -9.39 19.39 0.05 80.56 1.16 2.33 15.79 79.41 1.24 0.03 0.01 0.04 14 G C C 22.09 13.64 14.97 28.70 117.39 92.75 -87.62 147.25 96.26 0.34 3.40 44.77 11.49 40.48 1.87 1.01 0.00 0.13 0.24 15 R C C 137.56 8.04 15.51 24.43 103.79 -156.87 -92.15 -7.99 96.31 1.36 2.33 60.63 30.55 4.84 0.88 1.26 0.00 0.40 1.43 16 D C C 77.03 3.22 18.53 21.69 133.16 3.87 -138.14 168.65 96.91 2.05 1.04 71.22 22.71 2.01 0.29 0.73 0.00 0.49 2.56 17 A C T 83.04 5.21 12.73 19.70 91.68 -94.48 -62.55 -24.59 99.00 0.13 0.87 0.75 6.33 91.97 0.05 0.76 0.00 0.08 0.06 18 N C T 127.95 1.30 15.95 16.82 95.07 54.17 -91.28 3.34 99.39 0.12 0.50 1.74 5.36 92.24 0.04 0.51 0.00 0.07 0.04 19 D C C 36.67 15.68 9.49 25.16 108.62 117.67 -76.40 112.80 98.26 1.51 0.23 90.79 6.73 0.48 0.06 0.15 0.00 0.43 1.37 20 T C C 90.80 4.83 18.18 24.02 99.83 168.01 -98.78 -1.21 98.89 0.69 0.42 67.83 8.99 22.04 0.12 0.26 0.00 0.30 0.46 21 G C S 34.95 11.34 16.94 28.13 99.26 66.29 -0.18 -0.29 98.85 0.74 0.42 23.09 50.55 25.30 0.11 0.28 0.00 0.33 0.35 22 S C C 40.73 8.13 19.79 28.87 117.54 128.54 -77.14 145.63 99.03 0.50 0.46 84.13 14.48 0.25 0.41 0.06 0.00 0.10 0.57 23 T H H 47.50 15.77 17.43 32.99 92.62 -126.55 -60.40 -36.81 1.55 0.00 98.45 0.22 0.28 0.83 98.55 0.13 0.00 0.00 0.00 24 E H H 90.64 10.48 22.01 32.42 91.73 55.70 -63.71 -40.95 0.51 0.00 99.49 0.05 0.04 0.33 99.47 0.11 0.00 0.00 0.00 25 V H H 27.63 13.80 21.34 35.59 92.17 48.98 -65.75 -42.18 0.10 0.00 99.90 0.01 0.01 0.05 99.86 0.06 0.00 0.00 0.00 26 Q H H 40.38 16.77 23.02 38.86 91.78 50.55 -63.91 -42.92 0.05 0.00 99.95 0.01 0.00 0.02 99.94 0.02 0.00 0.00 0.00 27 V H H 17.61 18.84 22.91 41.22 91.51 49.66 -63.33 -43.22 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 28 A H H 28.38 11.43 25.31 37.31 91.67 50.36 -64.30 -42.05 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 29 L H H 41.74 13.47 25.21 38.62 91.64 49.66 -64.22 -42.51 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 30 L H H 17.77 20.06 23.10 42.44 91.74 49.75 -64.37 -42.57 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 31 T H H 34.51 14.22 23.68 37.59 91.90 50.66 -63.94 -41.80 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 32 A H H 32.96 7.75 24.11 32.82 91.58 50.59 -63.83 -42.13 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 33 Q H H 52.09 12.66 23.11 35.60 91.87 49.90 -64.47 -41.69 0.19 0.00 99.81 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 34 I H H 15.84 19.82 18.76 38.45 91.92 50.44 -63.75 -42.37 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 35 N H H 81.86 5.78 23.35 29.41 91.63 51.04 -64.00 -40.49 0.35 0.00 99.65 0.02 0.01 0.25 99.65 0.07 0.00 0.00 0.00 36 H H H 98.68 4.51 22.89 27.38 91.95 49.68 -65.53 -40.88 1.26 0.00 98.74 0.05 0.04 1.05 98.70 0.17 0.00 0.00 0.00 37 L H H 19.56 17.67 17.01 34.82 92.21 50.28 -65.66 -40.60 1.19 0.00 98.81 0.08 0.06 0.91 98.71 0.23 0.00 0.00 0.00 38 Q H H 68.54 11.68 18.43 30.29 91.65 53.32 -62.78 -41.31 0.75 0.00 99.25 0.07 0.05 0.52 99.11 0.26 0.00 0.00 0.00 39 G H H 36.81 2.12 21.14 21.93 91.69 50.76 -63.71 -41.61 1.64 0.00 98.36 0.12 0.08 1.27 97.99 0.54 0.00 0.00 0.00 40 H H H 60.65 7.76 17.13 26.45 92.19 49.60 -65.68 -40.58 1.80 0.00 98.20 0.16 0.14 1.39 97.41 0.90 0.00 0.00 0.00 41 F H H 39.11 15.14 11.83 27.40 92.02 51.70 -65.31 -38.96 1.87 0.00 98.12 0.21 0.18 1.37 96.86 1.37 0.00 0.00 0.00 42 A H H 76.09 2.25 15.73 18.36 91.86 52.42 -66.35 -33.89 6.72 0.00 93.27 0.36 0.40 5.79 92.10 1.35 0.01 0.00 0.00 43 E H H 140.55 1.19 15.48 15.72 94.31 46.68 -76.37 -29.27 17.08 0.01 82.91 0.56 1.42 14.90 82.06 1.03 0.02 0.00 0.01 44 H C C 83.40 7.90 10.02 19.36 108.82 34.51 -120.83 72.43 78.82 0.26 20.92 35.70 15.30 26.99 19.87 1.80 0.00 0.06 0.28 45 K C T 142.93 3.59 12.22 17.84 97.95 -152.98 -64.55 -23.40 95.32 0.17 4.51 13.36 8.85 73.33 1.83 2.42 0.00 0.08 0.14 46 K C T 158.07 1.77 14.08 16.16 96.62 46.48 -83.36 10.22 95.85 0.13 4.01 9.52 14.91 71.55 1.33 2.54 0.00 0.06 0.11 47 D C C 53.35 9.37 9.74 20.67 107.17 117.96 -95.00 103.75 94.64 0.27 5.09 86.09 6.39 2.67 2.85 1.63 0.00 0.08 0.28 48 H H H 128.27 3.12 14.17 18.80 94.70 -173.29 -67.52 -32.85 30.33 0.15 69.52 10.73 5.67 14.58 61.56 7.29 0.01 0.06 0.11 49 H H H 123.27 2.29 16.73 18.89 92.68 55.19 -66.38 -38.99 21.08 0.08 78.84 3.83 2.85 14.06 72.19 6.97 0.02 0.03 0.05 50 S H H 27.09 11.18 13.71 26.25 92.37 51.17 -66.52 -38.99 12.50 0.08 87.42 4.41 1.75 6.13 81.11 6.52 0.01 0.04 0.03 51 R H H 102.33 9.61 16.81 26.92 91.94 52.55 -63.90 -40.72 5.03 0.03 94.94 2.08 0.78 2.17 92.98 1.96 0.00 0.02 0.01 52 R H H 133.28 2.10 21.69 22.52 91.80 50.76 -64.36 -41.72 1.50 0.00 98.49 0.37 0.17 0.77 98.23 0.46 0.00 0.00 0.00 53 G H H 20.71 7.40 18.71 27.69 91.77 50.95 -63.54 -42.10 1.11 0.00 98.88 0.24 0.10 0.61 98.72 0.33 0.00 0.00 0.00 54 L H H 27.82 16.71 16.16 33.05 92.09 50.37 -64.01 -41.62 0.49 0.00 99.51 0.09 0.03 0.27 99.43 0.18 0.00 0.00 0.00 55 L H H 86.22 5.28 21.20 26.81 91.56 50.75 -63.86 -40.97 0.27 0.00 99.73 0.04 0.02 0.15 99.70 0.09 0.00 0.00 0.00 56 R H H 136.93 2.29 22.58 23.74 91.76 49.68 -64.77 -41.34 0.32 0.00 99.68 0.04 0.02 0.19 99.69 0.07 0.00 0.00 0.00 57 M H H 34.32 14.26 18.19 32.99 91.82 49.57 -64.80 -42.08 0.33 0.00 99.67 0.04 0.02 0.20 99.67 0.06 0.00 0.00 0.00 58 V H H 32.51 14.03 18.49 33.02 91.59 50.08 -63.76 -42.27 0.25 0.00 99.75 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 59 S H H 54.42 2.58 22.68 24.13 91.36 50.28 -63.50 -41.91 0.38 0.00 99.62 0.05 0.02 0.23 99.65 0.06 0.00 0.00 0.00 60 Q H H 74.80 6.33 21.52 28.39 91.69 49.51 -64.72 -41.46 0.38 0.00 99.62 0.04 0.02 0.25 99.65 0.05 0.00 0.00 0.00 61 R H H 36.78 18.77 16.81 35.08 91.70 51.29 -63.71 -41.51 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 62 R H H 116.33 7.31 21.19 29.12 91.42 51.57 -63.09 -40.91 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 63 K H H 119.24 2.03 24.01 24.44 91.60 50.06 -64.29 -41.82 0.16 0.00 99.84 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 64 L H H 24.73 14.91 19.54 35.00 91.71 49.69 -64.33 -42.32 0.21 0.00 99.79 0.01 0.01 0.14 99.76 0.07 0.00 0.00 0.00 65 L H H 18.63 18.00 17.54 35.77 91.53 51.00 -62.92 -41.82 0.33 0.00 99.67 0.03 0.02 0.22 99.58 0.16 0.00 0.00 0.00 66 D H H 76.51 2.92 23.21 25.22 91.45 50.84 -63.71 -41.03 1.17 0.00 98.83 0.08 0.05 0.91 98.37 0.59 0.00 0.00 0.00 67 Y H H 82.31 5.52 20.28 26.82 91.73 50.25 -64.11 -41.61 2.43 0.00 97.56 0.14 0.14 2.01 96.36 1.36 0.00 0.00 0.00 68 L H H 12.36 18.22 13.58 32.48 91.89 50.13 -65.36 -39.70 4.95 0.01 95.03 0.52 0.43 3.66 92.80 2.57 0.01 0.00 0.00 69 K H H 97.72 9.63 15.48 25.87 91.58 54.90 -64.32 -34.96 19.60 0.04 80.36 1.55 1.16 16.42 77.75 3.06 0.02 0.01 0.03 70 R H H 173.10 1.24 17.33 17.59 92.67 52.48 -71.31 -27.39 35.60 0.06 64.33 2.14 2.91 29.78 62.64 2.44 0.03 0.02 0.05 71 K C H 119.18 4.45 14.64 20.12 100.91 40.12 -91.86 -27.61 59.80 0.27 39.93 6.57 23.77 27.46 40.29 1.57 0.03 0.06 0.24 72 D C C 70.39 6.72 14.56 22.61 112.76 5.77 -135.31 89.66 96.48 0.32 3.21 89.99 2.73 3.58 2.97 0.36 0.00 0.09 0.26 73 V H H 71.92 10.27 11.90 23.40 94.11 174.86 -63.19 -36.53 2.56 0.00 97.43 0.81 0.31 1.13 97.34 0.40 0.00 0.00 0.00 74 A H H 76.50 1.39 19.12 19.02 91.64 53.68 -63.86 -41.34 1.14 0.00 98.86 0.10 0.08 0.83 98.55 0.44 0.00 0.00 0.00 75 R H H 98.65 6.44 18.34 25.72 91.93 48.74 -65.82 -40.40 0.48 0.00 99.52 0.06 0.03 0.31 99.16 0.44 0.00 0.00 0.00 76 Y H H 15.19 20.86 13.43 34.32 91.69 51.05 -63.21 -43.03 0.17 0.00 99.83 0.03 0.01 0.09 99.77 0.10 0.00 0.00 0.00 77 T H H 59.84 6.80 20.23 27.81 91.37 50.87 -63.15 -41.66 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 78 Q H H 94.21 2.14 22.64 23.11 91.66 50.15 -63.76 -42.34 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 79 L H H 16.61 15.65 17.47 34.15 91.88 49.61 -64.15 -43.13 0.18 0.00 99.82 0.01 0.01 0.10 99.83 0.04 0.00 0.00 0.00 80 I H H 17.49 18.42 14.98 33.71 91.89 49.77 -63.41 -42.82 0.30 0.00 99.70 0.03 0.01 0.18 99.67 0.10 0.00 0.00 0.00 81 E H H 129.87 2.01 19.10 20.88 91.68 49.55 -64.15 -40.92 0.81 0.00 99.19 0.06 0.03 0.60 98.99 0.32 0.00 0.00 0.00 82 R H H 144.41 3.14 17.71 21.46 91.55 51.19 -65.84 -34.40 4.36 0.00 95.64 0.12 0.15 4.07 95.24 0.42 0.00 0.00 0.00 83 L H H 34.54 16.39 12.43 29.01 93.66 48.07 -86.08 -6.96 46.56 0.03 53.41 0.57 1.50 43.75 53.19 0.94 0.01 0.01 0.03 84 G C T 49.79 2.68 20.24 22.68 96.70 -115.30 75.76 20.51 97.99 0.05 1.96 5.94 3.14 89.08 1.49 0.29 0.00 0.02 0.02 85 L C C 38.30 17.64 9.06 25.70 111.23 141.02 -89.12 117.96 95.10 0.87 4.03 79.07 8.20 8.07 2.04 1.67 0.00 0.42 0.54 86 R C C 148.15 4.04 14.54 20.16 116.55 166.37 -99.62 138.16 94.72 2.12 3.16 87.38 2.06 5.86 1.48 1.04 0.00 1.04 1.14 87 R C C 153.19 5.62 14.02 21.42 110.02 -114.84 -78.41 127.50 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00