# 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 59.24 7.16 12.01 20.42 112.04 -137.85 -78.97 141.44 99.67 0.06 0.27 99.49 0.11 0.14 0.21 0.01 0.00 0.02 0.01 1 K C C 134.15 3.43 11.03 15.93 105.69 -126.88 -80.03 97.09 67.51 1.27 31.22 61.96 1.21 4.37 29.78 1.58 0.00 0.56 0.54 2 R H H 148.73 3.24 10.53 15.23 101.92 -143.33 -75.69 -21.14 47.64 1.22 51.13 35.00 5.94 6.82 48.45 2.74 0.00 0.60 0.45 3 H H H 107.45 5.95 10.77 18.03 99.12 62.58 -74.80 -28.41 33.21 0.79 65.99 24.36 4.52 5.60 61.43 3.40 0.00 0.41 0.27 4 R H H 128.01 5.53 12.27 19.18 96.05 62.93 -68.39 -34.65 18.21 0.54 81.25 12.39 2.90 4.14 76.30 3.79 0.01 0.31 0.16 5 K H H 116.71 3.41 14.67 18.80 95.08 55.50 -69.02 -37.14 14.16 0.69 85.15 9.23 2.28 3.83 80.09 3.93 0.01 0.45 0.17 6 V H H 67.14 5.96 14.02 21.40 95.18 52.73 -69.00 -39.93 12.68 0.87 86.44 8.02 2.04 3.68 81.74 3.69 0.01 0.61 0.20 7 L H H 62.16 10.14 13.01 24.10 94.67 51.96 -68.58 -37.81 14.60 0.87 84.53 8.66 2.35 4.70 79.28 4.15 0.02 0.59 0.23 8 R H H 125.22 6.54 15.09 22.62 94.34 56.28 -68.76 -35.25 19.64 0.72 79.64 9.05 3.29 8.49 73.37 5.06 0.04 0.44 0.26 9 D H H 92.68 3.90 15.97 20.67 96.17 55.51 -75.58 -22.87 30.55 0.50 68.95 8.76 4.96 17.61 61.86 6.21 0.08 0.26 0.24 10 N H H 84.64 7.32 15.83 23.88 100.24 46.73 -88.98 3.20 47.03 0.71 52.26 14.58 7.13 26.31 43.76 7.41 0.06 0.35 0.40 11 I C C 45.25 17.25 11.00 27.21 99.95 82.03 -86.61 1.97 61.87 3.03 35.10 32.89 9.02 20.86 24.80 9.23 0.05 1.49 1.66 12 Q C T 124.02 4.02 15.80 21.52 105.98 115.43 -73.49 108.85 82.37 1.81 15.82 15.57 8.08 58.36 11.07 4.97 0.03 1.00 0.92 13 G C T 52.86 3.40 18.00 21.88 98.74 22.22 81.74 -1.31 92.31 0.92 6.77 14.67 12.62 65.49 2.81 3.48 0.00 0.57 0.37 14 I C C 31.77 19.67 9.36 27.86 115.59 113.03 -90.86 129.95 95.52 3.30 1.18 80.50 13.75 0.91 0.83 0.36 0.00 1.14 2.50 15 T C C 70.81 3.46 21.08 24.05 123.06 -144.18 -89.25 159.90 97.21 1.70 1.09 95.32 1.68 0.32 0.94 0.11 0.00 0.50 1.12 16 K H H 109.03 10.58 14.03 25.20 92.62 -104.71 -58.75 -40.00 2.68 0.01 97.31 0.68 0.49 1.26 97.24 0.33 0.00 0.00 0.00 17 P H H 78.86 2.30 19.32 20.93 91.63 52.21 -63.28 -39.60 1.52 0.01 98.48 0.29 0.14 0.92 98.21 0.43 0.00 0.00 0.00 18 A H H 30.13 7.78 17.23 26.92 91.89 50.66 -64.47 -40.93 0.61 0.01 99.39 0.16 0.06 0.31 99.09 0.39 0.00 0.00 0.00 19 I H H 16.22 19.09 14.23 33.45 92.00 50.11 -64.27 -42.36 0.44 0.01 99.55 0.12 0.05 0.20 99.45 0.16 0.00 0.01 0.00 20 R H H 113.08 7.04 19.48 27.24 91.56 50.86 -63.33 -41.18 0.76 0.02 99.22 0.22 0.09 0.37 99.21 0.09 0.00 0.01 0.00 21 R H H 128.01 2.22 21.27 22.34 91.92 49.97 -64.57 -41.96 1.03 0.03 98.94 0.26 0.12 0.55 98.92 0.13 0.00 0.01 0.00 22 L H H 39.77 10.34 16.88 28.78 92.31 49.65 -64.78 -41.88 1.46 0.06 98.48 0.37 0.20 0.82 98.28 0.28 0.01 0.03 0.01 23 A H H 20.45 13.75 13.02 27.83 92.17 51.42 -63.82 -40.77 3.42 0.08 96.50 0.80 0.32 2.14 95.97 0.70 0.01 0.04 0.02 24 R H H 161.50 2.05 16.52 19.00 92.49 50.22 -65.97 -37.97 8.38 0.12 91.50 1.18 0.74 6.24 90.37 1.33 0.04 0.06 0.04 25 R H H 164.44 1.79 14.61 16.66 93.77 52.80 -70.57 -27.25 20.26 0.17 79.56 1.50 1.87 17.14 77.47 1.75 0.10 0.07 0.10 26 G C T 42.67 6.12 11.77 19.24 97.37 47.02 -86.52 -3.04 68.58 0.15 31.27 1.93 4.44 60.61 30.96 1.87 0.02 0.05 0.11 27 G C T 57.55 1.61 15.56 16.81 98.55 -109.59 80.04 9.89 98.22 0.23 1.55 16.72 9.81 71.92 0.72 0.62 0.00 0.13 0.08 28 V C C 51.47 12.93 7.67 20.67 114.32 143.26 -85.74 129.72 94.00 3.81 2.19 88.36 4.22 1.63 0.83 1.11 0.00 2.55 1.29 29 K C C 160.94 1.42 16.35 17.54 101.36 -163.70 -88.38 -23.92 92.10 5.42 2.48 67.50 20.47 4.45 0.65 1.82 0.00 4.17 0.94 30 R C C 155.51 3.11 15.70 19.97 120.62 22.76 -120.77 134.75 76.03 20.90 3.07 61.68 9.85 3.96 1.02 2.16 0.00 18.36 2.98 31 I C C 55.80 15.65 8.94 23.92 118.61 -165.42 -112.15 125.79 64.77 33.05 2.18 59.26 3.64 0.94 1.54 0.86 0.00 24.81 8.95 32 S C C 64.85 3.05 15.72 19.40 123.32 -164.41 -102.02 163.96 86.88 10.66 2.46 81.91 3.70 1.38 1.82 0.65 0.00 9.17 1.37 33 G H H 51.01 2.47 14.99 17.91 100.92 -17.75 23.66 -60.05 33.75 0.57 65.68 5.39 10.19 19.62 59.26 4.81 0.18 0.25 0.29 34 L H H 108.00 2.38 14.65 17.30 94.12 30.90 -69.04 -35.14 20.98 0.28 78.74 3.37 3.53 14.69 73.11 4.90 0.13 0.13 0.14 35 I H H 62.17 7.99 13.97 23.48 92.85 52.89 -65.06 -40.71 11.59 0.35 88.06 4.16 1.91 6.34 82.71 4.49 0.05 0.21 0.12 36 Y H H 73.87 11.53 13.88 26.24 92.13 52.67 -63.38 -42.08 3.55 0.09 96.36 1.68 0.55 1.51 94.81 1.37 0.01 0.05 0.02 37 E H H 117.28 2.53 18.72 21.22 92.10 49.94 -64.79 -41.00 2.25 0.03 97.72 0.74 0.27 1.20 96.78 0.98 0.01 0.02 0.01 38 E H H 105.92 3.12 19.25 22.33 92.58 48.13 -66.15 -41.16 3.32 0.02 96.66 0.60 0.32 2.24 95.81 1.00 0.01 0.01 0.01 39 T H H 29.07 13.75 16.14 30.53 92.81 48.20 -66.63 -40.83 5.55 0.02 94.42 0.80 0.52 3.96 94.00 0.69 0.01 0.01 0.01 40 R H H 92.24 11.23 18.06 29.40 91.75 52.67 -63.07 -41.35 2.45 0.01 97.54 0.45 0.20 1.57 97.51 0.27 0.00 0.00 0.00 41 G H H 34.50 3.02 20.63 23.38 91.74 50.79 -63.64 -41.55 2.45 0.00 97.54 0.28 0.15 1.82 97.42 0.33 0.00 0.00 0.00 42 V H H 63.16 5.83 20.19 26.79 91.90 49.50 -64.67 -41.92 0.52 0.00 99.48 0.08 0.03 0.31 99.44 0.13 0.00 0.00 0.00 43 L H H 32.77 15.13 16.79 32.37 91.84 50.53 -64.09 -41.94 0.12 0.00 99.88 0.02 0.00 0.06 99.87 0.04 0.00 0.00 0.00 44 K H H 98.97 7.47 19.64 27.62 91.87 51.75 -63.54 -41.30 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 45 V H H 79.63 2.65 21.28 23.05 91.66 49.86 -64.02 -42.61 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 46 F H H 77.27 8.64 19.59 28.99 91.96 48.90 -64.72 -42.30 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 47 L H H 36.23 14.84 17.13 32.38 91.98 50.31 -64.87 -41.22 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 48 E H H 95.01 5.22 20.58 26.19 91.74 51.07 -63.97 -41.22 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 49 N H H 77.66 3.72 21.50 25.02 92.03 49.35 -65.83 -40.93 0.32 0.00 99.68 0.02 0.01 0.23 99.72 0.02 0.00 0.00 0.00 50 V H H 34.26 12.68 18.55 31.98 92.17 49.51 -64.57 -42.93 0.48 0.00 99.52 0.05 0.02 0.31 99.58 0.04 0.00 0.00 0.00 51 I H H 52.19 12.01 18.86 31.35 91.84 50.31 -63.78 -42.48 0.38 0.00 99.61 0.08 0.03 0.21 99.59 0.09 0.00 0.00 0.00 52 R H H 134.65 2.57 22.86 24.73 91.65 49.99 -63.80 -41.79 0.46 0.00 99.54 0.07 0.03 0.29 99.50 0.11 0.00 0.00 0.00 53 D H H 64.54 5.64 21.35 27.34 91.97 48.64 -65.20 -40.91 0.91 0.00 99.09 0.13 0.06 0.61 99.04 0.16 0.00 0.00 0.00 54 A H H 16.40 15.06 16.51 32.53 91.95 51.18 -64.09 -41.82 1.43 0.01 98.56 0.23 0.12 0.93 98.45 0.27 0.00 0.00 0.00 55 V H H 60.86 7.09 19.79 27.74 91.94 50.12 -64.37 -41.58 2.58 0.04 97.38 0.50 0.29 1.61 97.16 0.40 0.01 0.02 0.01 56 T H H 72.91 2.27 21.63 22.54 91.89 49.74 -64.52 -42.23 4.87 0.11 95.03 1.17 0.63 2.93 94.51 0.65 0.02 0.05 0.03 57 Y H H 76.48 8.38 17.29 26.85 92.36 48.52 -66.12 -40.67 6.82 0.22 92.96 1.95 1.06 3.98 91.38 1.41 0.04 0.12 0.07 58 T H H 29.32 12.40 13.00 26.62 92.21 51.88 -66.46 -38.10 9.95 0.23 89.83 3.47 1.38 5.15 87.60 2.17 0.02 0.13 0.07 59 E H H 127.71 2.15 16.88 19.09 92.51 53.16 -65.80 -37.95 16.53 0.15 83.31 2.79 1.82 11.58 81.29 2.34 0.04 0.08 0.06 60 H H H 138.30 1.68 14.87 16.30 94.27 47.74 -75.64 -24.02 27.49 0.21 72.30 3.76 3.70 20.00 70.26 2.02 0.06 0.08 0.12 61 A C H 44.18 10.08 8.71 19.49 101.28 64.79 -83.33 1.35 65.94 0.67 33.39 19.88 15.58 29.44 32.19 2.23 0.02 0.22 0.44 62 K C T 177.99 0.63 14.72 13.96 95.93 -130.95 19.36 13.36 90.65 0.45 8.90 26.92 16.42 47.43 6.50 2.27 0.00 0.19 0.27 63 R C C 115.97 6.03 10.13 18.03 123.63 104.03 -108.31 145.81 91.88 1.07 7.04 56.87 21.79 13.31 3.99 2.89 0.00 0.46 0.70 64 K C S 159.71 2.32 14.04 17.43 97.22 -148.23 -82.74 -16.17 95.52 1.42 3.05 31.03 56.71 8.14 1.46 1.37 0.00 0.88 0.41 65 T C C 84.82 3.46 17.71 22.03 128.07 39.80 -131.11 144.84 72.21 24.33 3.46 43.38 24.40 5.46 1.83 1.87 0.01 19.22 3.82 66 V C C 30.33 18.85 10.45 28.76 119.01 -153.00 -109.57 129.39 66.58 32.14 1.28 60.59 5.57 0.36 1.24 0.31 0.00 24.62 7.30 67 T C C 61.60 4.54 22.07 26.37 124.43 -147.67 -92.74 163.06 78.36 20.71 0.93 78.61 1.25 0.17 0.93 0.12 0.00 16.26 2.66 68 A H H 49.83 12.67 14.33 27.43 91.15 -105.09 -58.32 -39.18 1.91 0.01 98.08 0.33 0.26 1.14 97.89 0.37 0.00 0.00 0.00 69 M H H 108.25 3.34 20.62 23.90 91.54 54.34 -63.89 -40.12 0.58 0.00 99.41 0.07 0.04 0.39 99.24 0.26 0.00 0.00 0.00 70 D H H 43.47 10.56 19.03 30.49 91.88 50.42 -65.34 -40.35 0.20 0.00 99.80 0.03 0.01 0.12 99.59 0.24 0.00 0.00 0.00 71 V H H 13.07 20.13 16.75 36.89 91.83 49.81 -64.06 -43.41 0.09 0.00 99.91 0.01 0.00 0.05 99.85 0.08 0.00 0.00 0.00 72 V H H 52.89 8.43 20.72 30.01 91.32 49.91 -63.40 -42.94 0.12 0.00 99.88 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 73 Y H H 104.54 3.41 22.75 25.68 91.48 48.99 -64.00 -42.20 0.24 0.00 99.76 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 74 A H H 13.16 12.61 16.83 31.37 91.39 50.93 -62.98 -42.72 0.59 0.00 99.41 0.06 0.03 0.40 99.32 0.19 0.00 0.00 0.00 75 L H H 30.80 14.15 15.23 30.25 92.01 49.93 -64.21 -41.14 1.72 0.01 98.27 0.25 0.14 1.16 97.90 0.53 0.00 0.00 0.00 76 K H H 132.83 2.90 17.18 20.81 92.01 50.35 -65.23 -39.32 4.39 0.02 95.59 0.56 0.32 3.19 94.76 1.15 0.01 0.01 0.01 77 R H H 151.93 2.74 15.50 18.99 92.87 50.58 -69.06 -32.15 12.78 0.06 87.16 1.01 0.94 10.52 86.17 1.28 0.02 0.02 0.03 78 Q C H 94.63 7.13 12.64 20.95 96.47 48.37 -87.26 -5.49 52.80 0.22 46.98 2.84 4.37 43.63 47.29 1.60 0.04 0.07 0.15 79 G C T 54.96 2.86 14.48 18.21 98.79 -112.00 78.47 12.45 94.72 0.37 4.91 20.32 10.14 64.60 3.49 1.12 0.00 0.18 0.15 80 R C C 118.99 7.03 11.86 20.52 119.63 130.86 -99.89 140.01 92.23 2.99 4.78 78.29 10.34 3.41 3.04 1.72 0.00 1.47 1.73 81 T C C 78.89 5.92 13.36 20.84 118.12 -142.97 -98.59 140.66 90.03 5.47 4.50 82.26 4.81 2.80 2.43 1.82 0.00 3.00 2.88 82 L C C 91.46 9.22 11.07 21.11 104.50 -134.40 -82.48 6.64 82.65 6.38 10.97 36.08 24.98 22.65 3.40 6.68 0.04 3.02 3.14 83 Y C T 152.58 4.48 12.06 17.85 107.45 39.82 -89.83 83.16 85.37 4.34 10.29 16.80 25.57 43.40 2.90 6.86 0.03 2.34 2.12 84 G C C 56.00 2.75 11.87 15.85 103.61 -25.18 80.60 3.92 89.85 3.13 7.02 33.65 24.60 31.94 1.39 5.44 0.00 1.58 1.39 85 F C C 132.49 5.09 8.69 15.39 106.74 103.85 -92.20 41.19 90.55 5.18 4.27 59.99 14.83 15.61 1.26 2.82 0.00 2.48 3.03 86 G C C 55.72 2.56 11.19 15.26 108.69 -74.76 88.58 11.01 96.45 2.17 1.38 80.44 4.53 11.65 0.34 0.83 0.00 1.34 0.86 87 G C C 50.96 3.87 12.76 18.26 112.04 -52.53 88.72 -1.45 99.86 0.12 0.02 99.32 0.42 0.16 0.01 0.00 0.00 0.06 0.02