# 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 T C C 78.44 6.74 16.41 24.18 120.54 -159.34 -108.97 138.34 99.65 0.20 0.15 99.46 0.18 0.13 0.08 0.01 0.00 0.09 0.04 1 R C C 129.57 8.03 12.60 21.72 109.03 -132.91 -89.13 97.77 66.23 6.15 27.62 54.72 3.25 7.88 21.30 6.36 0.01 3.67 2.82 2 S C C 53.07 9.30 11.12 21.31 113.00 -119.41 -85.60 138.93 61.34 9.01 29.66 40.32 10.11 10.86 20.72 8.99 0.06 5.68 3.26 3 S C C 73.42 5.19 12.92 19.43 99.64 -143.12 -77.10 -20.17 56.99 9.31 33.70 33.93 11.64 12.09 21.42 11.84 0.12 5.88 3.09 4 R C H 150.04 4.52 13.91 19.71 97.18 67.28 -75.48 -17.95 53.39 8.51 38.09 20.30 13.82 20.85 22.69 13.50 0.58 4.91 3.35 5 A C T 49.48 10.78 13.34 24.57 97.98 51.24 -83.71 1.90 71.89 2.17 25.93 10.82 13.03 47.29 13.85 12.34 0.09 1.25 1.31 6 G C T 43.56 5.81 18.14 24.72 98.84 -102.38 83.47 4.64 86.88 2.96 10.16 19.08 17.68 50.91 3.34 6.06 0.01 1.95 0.96 7 L C C 32.90 18.22 12.65 30.61 115.42 129.12 -92.80 128.93 77.52 17.83 4.65 61.94 9.27 5.45 2.07 2.69 0.01 12.16 6.44 8 Q C C 104.05 7.00 21.44 29.03 116.30 -160.35 -104.20 126.99 75.99 21.01 3.00 56.49 15.54 3.50 1.84 1.42 0.01 14.40 6.79 9 F C C 29.92 20.64 14.37 34.41 120.49 -166.93 -110.64 130.81 87.76 11.38 0.87 65.22 22.46 0.92 0.71 0.29 0.00 8.44 1.96 10 P C C 53.92 7.29 23.07 30.88 111.46 -113.71 -67.95 139.89 90.01 8.15 1.85 87.94 1.85 0.78 1.56 0.33 0.00 5.26 2.29 11 V H H 42.29 19.08 15.32 33.40 93.74 -125.71 -60.81 -37.02 13.20 0.18 86.62 4.52 2.20 6.95 84.23 1.90 0.03 0.08 0.09 12 G H H 34.20 5.43 21.08 27.02 92.41 56.07 -61.63 -40.26 6.99 0.09 92.92 1.53 0.95 4.61 91.11 1.69 0.03 0.05 0.03 13 R H H 100.54 7.47 22.05 29.71 92.22 50.66 -66.80 -39.50 2.56 0.08 97.35 1.04 0.40 1.24 95.84 1.40 0.01 0.06 0.01 14 V H H 4.44 24.17 16.24 40.59 91.66 51.43 -63.61 -43.75 1.14 0.04 98.82 0.44 0.16 0.56 98.29 0.51 0.00 0.03 0.01 15 H H H 59.45 13.69 20.45 33.95 91.55 51.30 -62.59 -41.86 0.99 0.03 98.98 0.30 0.12 0.53 98.64 0.38 0.00 0.02 0.00 16 R H H 123.99 2.49 23.84 25.10 91.54 50.64 -63.81 -42.16 1.20 0.03 98.77 0.26 0.13 0.75 98.43 0.40 0.01 0.02 0.00 17 L H H 25.60 12.50 18.12 32.05 91.94 49.64 -64.45 -41.92 1.62 0.05 98.33 0.38 0.21 1.02 97.76 0.58 0.01 0.03 0.01 18 L H H 16.92 20.57 13.73 33.95 92.36 50.18 -65.54 -39.87 3.10 0.07 96.82 0.61 0.31 2.17 95.59 1.23 0.02 0.04 0.02 19 R H H 147.25 4.51 17.66 23.36 92.02 52.04 -66.55 -32.50 10.52 0.09 89.39 0.76 0.75 9.09 88.08 1.19 0.05 0.04 0.04 20 K C T 140.38 1.99 17.06 18.74 95.22 48.64 -85.98 -8.31 59.67 0.15 40.19 1.31 3.25 53.45 40.18 1.61 0.03 0.05 0.12 21 G C T 39.34 8.52 14.38 23.71 102.30 -102.64 81.93 11.28 93.15 0.20 6.64 5.51 10.18 77.34 5.41 1.33 0.00 0.09 0.15 22 N C C 79.18 6.42 17.04 24.52 101.83 134.14 -89.50 51.85 83.05 0.95 16.00 50.14 17.67 15.37 10.08 5.66 0.00 0.39 0.68 23 Y H H 39.64 17.68 13.70 31.14 95.94 127.66 -78.75 -21.73 45.92 1.75 52.34 24.01 8.51 14.18 34.13 17.34 0.08 0.88 0.87 24 A H H 35.22 14.45 13.67 28.31 92.33 72.35 -62.88 -31.73 21.62 0.91 77.48 6.66 3.65 10.32 47.82 30.61 0.09 0.55 0.30 25 E H H 147.71 1.41 19.49 20.03 92.63 56.05 -71.10 -26.06 21.24 0.71 78.04 3.96 3.21 12.45 49.64 29.89 0.17 0.42 0.25 26 R H H 126.49 6.83 17.29 24.85 98.05 49.02 -83.53 -24.84 27.62 0.91 71.47 4.78 5.29 17.14 50.01 21.50 0.35 0.48 0.45 27 V C H 35.42 17.99 11.46 28.32 106.55 42.97 -103.02 -5.05 50.76 7.65 41.59 17.58 23.35 12.93 33.87 3.95 0.43 1.63 6.25 28 G C C 35.92 4.51 18.60 23.85 124.35 -128.90 83.56 -172.20 70.42 1.65 27.93 45.68 9.51 13.73 5.84 23.40 0.00 0.76 1.08 29 A C T 87.39 3.31 16.34 20.91 95.20 -40.58 -66.85 -14.85 67.96 0.31 31.73 1.65 6.37 59.93 3.76 27.84 0.01 0.15 0.29 30 G C T 33.62 8.53 18.27 27.58 94.33 52.25 -76.08 -6.94 64.86 0.18 34.96 4.51 4.68 55.22 7.07 28.26 0.00 0.09 0.16 31 A H H 11.90 18.63 16.32 35.53 93.04 101.10 -61.14 -41.36 5.65 0.02 94.33 3.78 0.97 1.17 93.27 0.79 0.00 0.00 0.01 32 P H H 31.22 17.87 19.98 37.04 91.92 53.02 -63.62 -39.69 1.14 0.01 98.85 0.32 0.10 0.59 98.50 0.48 0.00 0.00 0.00 33 V H H 70.31 7.39 25.20 32.75 91.78 50.29 -64.84 -41.79 0.22 0.00 99.78 0.05 0.02 0.11 99.57 0.26 0.00 0.00 0.00 34 Y H H 72.31 12.33 24.81 36.94 91.75 49.09 -64.76 -42.51 0.12 0.00 99.88 0.02 0.01 0.06 99.83 0.08 0.00 0.00 0.00 35 L H H 9.72 23.31 22.23 44.82 91.57 49.61 -64.41 -42.68 0.13 0.00 99.87 0.02 0.01 0.07 99.87 0.02 0.00 0.00 0.00 36 A H H 20.09 15.96 23.32 39.08 91.20 51.40 -62.73 -41.98 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 37 A H H 40.61 6.47 26.15 33.44 91.31 50.67 -63.60 -42.29 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 38 V H H 19.45 17.44 23.38 40.57 91.65 49.68 -64.38 -42.93 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 39 L H H 11.15 22.96 21.21 43.53 91.38 50.83 -63.71 -41.86 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 40 E H H 87.18 9.72 24.41 34.17 91.36 51.60 -62.98 -41.31 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 41 Y H H 97.23 7.75 25.05 32.97 91.74 49.09 -65.04 -41.72 0.09 0.00 99.91 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 42 L H H 16.24 19.84 21.40 40.87 91.38 49.23 -65.24 -42.38 0.18 0.00 99.82 0.01 0.01 0.12 99.84 0.03 0.00 0.00 0.00 43 T H H 23.54 18.48 21.19 38.92 91.60 51.18 -63.49 -41.80 0.33 0.00 99.67 0.03 0.01 0.21 99.70 0.04 0.00 0.00 0.00 44 A H H 45.76 5.88 24.02 30.32 91.46 51.75 -63.65 -41.44 0.29 0.00 99.71 0.03 0.01 0.20 99.69 0.07 0.00 0.00 0.00 45 E H H 71.80 9.02 24.09 33.30 91.68 49.58 -65.16 -41.28 0.43 0.00 99.57 0.05 0.02 0.29 99.52 0.12 0.00 0.00 0.00 46 I H H 8.81 22.80 19.37 42.02 91.35 49.97 -64.07 -43.22 0.51 0.00 99.49 0.08 0.03 0.32 99.41 0.15 0.00 0.00 0.00 47 L H H 48.91 14.47 21.39 35.46 91.51 50.59 -63.36 -41.45 0.93 0.01 99.06 0.15 0.07 0.59 98.82 0.35 0.00 0.01 0.00 48 E H H 114.58 3.02 25.23 27.91 91.72 50.41 -64.62 -40.75 3.51 0.02 96.46 0.43 0.24 2.66 95.87 0.78 0.01 0.01 0.01 49 L H H 40.92 13.13 20.94 34.33 92.25 48.67 -67.06 -38.96 8.27 0.06 91.66 1.02 0.73 6.31 90.81 1.06 0.02 0.03 0.02 50 A H H 13.46 19.48 17.10 36.20 93.05 52.23 -68.30 -34.80 21.36 0.37 78.28 4.63 3.12 13.94 75.80 2.08 0.08 0.16 0.19 51 G H H 30.02 9.64 20.09 29.87 98.15 58.54 -57.36 -39.77 40.32 0.98 58.69 10.95 6.20 24.41 51.85 5.51 0.11 0.51 0.47 52 N H H 96.73 4.39 21.04 25.51 97.02 42.47 -77.85 -23.21 42.44 2.16 55.39 14.15 8.50 21.38 44.56 9.07 0.17 1.42 0.76 53 A H H 36.48 10.75 16.00 27.72 96.72 63.99 -73.51 -25.67 41.56 5.62 52.82 18.88 8.35 16.24 40.85 10.11 0.19 4.07 1.31 54 A C H 33.77 12.92 12.64 26.08 100.50 68.09 -78.39 -9.80 47.32 8.43 44.25 26.48 8.37 14.42 34.38 8.22 0.14 5.94 2.04 55 R C H 145.28 4.36 14.36 19.97 103.63 82.56 -82.53 5.47 55.83 8.59 35.58 26.41 11.84 18.93 28.11 6.41 0.36 5.50 2.46 56 D C T 104.46 3.10 13.15 17.23 103.88 47.73 -85.91 34.29 73.17 3.27 23.57 28.11 17.14 28.33 17.86 5.43 0.06 1.91 1.17 57 N C T 98.89 5.39 11.26 18.09 103.89 21.47 -86.51 45.37 82.44 1.02 16.54 27.93 20.30 34.59 10.26 5.86 0.01 0.46 0.59 58 K C C 144.20 3.53 12.62 17.44 100.43 117.70 -77.22 5.13 78.24 1.83 19.92 30.52 21.66 26.60 11.64 7.76 0.02 0.88 0.93 59 K C C 116.99 6.12 13.63 21.03 109.74 92.55 -89.26 96.59 71.58 5.48 22.94 39.37 17.52 15.01 14.03 8.81 0.04 3.26 1.96 60 T C C 67.15 10.43 14.35 25.31 108.87 89.58 -95.09 86.83 69.44 8.98 21.58 46.28 13.25 9.65 14.16 7.92 0.03 6.53 2.18 61 R C C 114.41 8.83 20.04 29.03 117.49 94.12 -100.90 137.71 65.03 15.22 19.75 40.71 16.62 7.87 13.63 6.59 0.06 11.32 3.20 62 I C C 25.08 21.19 14.36 35.03 112.74 -127.67 -91.11 123.73 65.47 20.65 13.88 48.90 12.23 3.33 11.06 3.65 0.03 11.13 9.67 63 I C C 55.91 9.64 21.77 31.92 119.38 -160.81 -92.28 148.09 85.32 1.86 12.82 78.10 5.12 1.04 13.76 0.52 0.00 0.99 0.46 64 P H H 54.41 13.50 16.41 30.08 92.62 -115.50 -57.75 -38.38 7.74 0.14 92.12 3.01 1.05 3.79 90.23 1.80 0.01 0.08 0.03 65 R H H 139.74 3.48 22.32 25.93 91.81 53.56 -64.12 -38.08 3.92 0.05 96.03 0.97 0.42 2.43 94.14 1.99 0.01 0.03 0.01 66 H H H 43.57 15.37 19.80 34.89 92.24 49.67 -66.25 -40.42 1.79 0.04 98.17 0.61 0.21 0.94 96.11 2.09 0.00 0.03 0.00 67 L H H 7.48 23.62 17.67 41.20 91.58 51.27 -64.05 -42.46 1.12 0.02 98.86 0.42 0.13 0.54 98.13 0.77 0.00 0.01 0.00 68 Q H H 77.36 9.16 23.62 32.87 91.48 51.61 -63.24 -41.55 1.25 0.02 98.73 0.33 0.12 0.74 98.26 0.53 0.00 0.01 0.00 69 L H H 51.14 6.58 23.62 30.99 91.54 50.53 -63.89 -42.32 1.37 0.03 98.60 0.29 0.15 0.87 98.03 0.63 0.00 0.01 0.00 70 A H H 6.84 18.40 17.50 36.79 91.70 50.78 -64.04 -41.71 1.97 0.04 97.99 0.50 0.21 1.18 97.23 0.84 0.00 0.02 0.01 71 V H H 28.64 17.35 17.71 34.68 92.77 47.84 -67.41 -38.32 4.40 0.06 95.55 0.59 0.40 3.29 94.27 1.38 0.02 0.03 0.02 72 R H H 145.85 3.67 20.64 24.59 92.95 49.80 -70.45 -30.44 14.13 0.06 85.81 0.70 1.03 12.29 84.77 1.12 0.04 0.02 0.03 73 N C T 87.48 5.67 17.32 23.58 102.33 29.52 -108.46 18.03 66.15 0.23 33.62 14.20 7.06 43.08 33.91 1.51 0.01 0.08 0.15 74 D H H 54.42 15.72 11.33 26.08 99.18 155.08 -66.46 26.19 38.70 0.29 61.01 31.96 3.65 3.71 57.93 2.50 0.00 0.10 0.15 75 E H H 132.43 2.04 18.63 20.56 93.56 90.11 -64.95 -39.21 6.22 0.05 93.73 1.40 0.84 3.91 89.91 3.89 0.01 0.03 0.02 76 E H H 87.68 5.78 18.78 25.31 92.25 50.21 -65.73 -40.32 3.47 0.07 96.45 0.97 0.38 2.13 92.89 3.56 0.01 0.05 0.01 77 L H H 7.73 22.22 12.49 34.78 91.72 50.70 -64.04 -42.07 2.06 0.06 97.88 0.64 0.26 1.14 95.15 2.75 0.01 0.04 0.01 78 N H H 63.63 11.32 16.98 28.78 91.21 52.97 -63.56 -38.17 2.60 0.05 97.34 0.64 0.27 1.63 94.78 2.62 0.01 0.04 0.01 79 K H H 142.17 1.56 21.57 21.91 92.08 52.63 -65.96 -38.59 4.27 0.05 95.68 0.40 0.31 3.59 92.31 3.31 0.02 0.03 0.01 80 L H H 46.18 14.02 17.43 31.46 94.78 45.27 -72.15 -38.19 6.49 0.08 93.43 0.40 0.54 5.77 91.24 1.92 0.05 0.04 0.03 81 L H H 20.59 20.52 14.24 34.12 98.31 37.71 -92.84 -14.70 26.29 0.99 72.71 4.71 4.99 18.20 68.82 2.10 0.22 0.41 0.54 82 G C T 38.93 4.92 19.82 25.57 108.81 -142.26 69.22 -116.28 80.00 2.62 17.38 19.39 17.17 43.57 11.47 5.83 0.04 1.63 0.90 83 R C T 149.67 4.20 20.00 24.90 118.49 -0.40 -102.34 130.54 71.10 11.14 17.76 23.49 17.81 31.26 9.70 7.24 0.14 8.63 1.73 84 V C C 33.52 19.91 12.17 31.14 119.31 -167.15 -108.47 131.41 67.46 20.76 11.78 55.65 7.73 3.21 8.45 3.85 0.02 18.60 2.49 85 T C C 71.22 6.40 22.33 29.21 118.91 -166.06 -110.22 130.94 46.57 43.45 9.98 39.95 3.18 1.94 7.97 2.63 0.02 39.47 4.83 86 I E E 49.43 17.97 14.01 31.08 112.78 -156.62 -96.10 115.16 38.54 44.14 17.31 29.81 4.70 3.55 12.51 5.75 0.08 39.27 4.33 87 A C C 53.48 9.03 15.86 25.41 105.61 124.40 -79.23 -18.02 44.98 27.70 27.32 27.36 8.54 11.31 10.51 15.32 0.12 24.25 2.59 88 Q C T 132.71 3.37 16.91 20.75 102.90 9.96 -86.42 42.81 54.34 15.68 29.98 14.47 12.35 30.26 7.98 19.73 0.36 12.07 2.77 89 G C T 43.14 7.28 16.44 24.25 105.24 -30.82 83.77 1.85 72.30 4.83 22.87 14.15 16.19 42.86 4.73 17.17 0.05 3.32 1.52 90 G C C 27.59 12.19 16.56 28.69 116.64 -85.58 92.29 157.05 78.50 14.76 6.74 29.80 23.37 27.11 1.74 4.53 0.02 10.98 2.45 91 V C C 54.46 14.18 17.18 31.27 121.72 -102.93 -108.94 136.05 58.00 38.31 3.69 38.68 14.64 3.57 2.34 1.78 0.08 19.04 19.87 92 L C C 36.62 17.01 14.64 31.68 111.92 -128.43 -88.82 121.72 84.70 11.31 3.99 73.50 8.65 2.15 2.85 1.36 0.00 8.55 2.94 93 P C T 77.59 6.66 17.80 25.38 104.37 -124.43 -63.83 138.34 73.74 4.99 21.27 15.13 9.84 48.31 15.05 6.59 0.12 3.69 1.28 94 N C T 100.91 4.81 18.89 24.38 95.36 20.95 53.69 25.35 75.02 1.90 23.09 18.33 7.57 48.88 17.05 6.24 0.03 1.17 0.73 95 I H H 18.91 20.81 12.71 33.10 94.18 119.53 -67.70 -36.93 24.06 1.50 74.45 13.53 3.67 7.91 55.46 17.95 0.04 1.03 0.42 96 Q H H 81.27 13.17 15.55 28.50 92.21 63.37 -62.63 -36.94 10.62 0.83 88.55 3.40 1.57 5.32 63.67 25.20 0.03 0.68 0.14 97 S H H 74.64 2.73 18.42 21.43 92.06 56.11 -69.13 -26.69 8.52 0.41 91.07 1.83 1.05 4.90 63.13 28.67 0.03 0.34 0.06 98 V H H 62.78 10.07 16.11 26.82 94.88 51.06 -77.58 -27.86 15.41 0.56 84.02 2.32 1.92 10.12 61.39 23.59 0.11 0.40 0.14 99 L H H 43.63 16.73 13.72 29.78 99.07 46.14 -90.89 -18.58 38.95 2.44 58.60 6.76 8.73 25.05 42.94 13.16 0.77 1.29 1.28 100 L C S 63.50 11.77 11.85 24.47 115.99 82.74 -97.07 127.54 97.10 2.10 0.80 26.18 69.76 1.47 0.55 0.22 0.00 0.95 0.87 101 P C C 79.38 6.09 11.46 19.40 112.86 -118.19 -67.46 147.15 97.38 1.95 0.66 94.60 1.09 1.97 0.27 0.23 0.00 1.13 0.71 102 K C C 157.52 2.56 13.12 17.41 109.06 -114.65 -78.78 125.68 99.88 0.10 0.02 99.78 0.10 0.05 0.01 0.00 0.00 0.04 0.02