# 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 48.63 10.03 15.24 25.65 103.40 58.62 -75.96 -3.17 98.97 0.16 0.87 98.61 0.22 0.30 0.71 0.04 0.00 0.08 0.04 1 R H H 138.19 5.94 13.83 20.88 97.28 56.42 -70.26 -32.22 48.30 2.15 49.55 41.26 2.16 5.99 44.70 3.90 0.00 1.21 0.79 2 A H H 60.53 5.79 12.49 19.63 97.39 57.38 -70.66 -35.20 38.57 2.12 59.31 25.99 6.43 8.03 50.78 6.81 0.02 1.33 0.60 3 K H H 122.32 4.66 15.17 20.89 96.98 55.27 -71.95 -30.01 34.07 2.23 63.69 22.57 5.94 7.65 54.24 7.52 0.03 1.44 0.62 4 A H H 44.44 11.21 12.35 24.16 99.87 60.32 -73.99 -21.70 33.87 1.81 64.32 22.86 6.11 6.98 56.01 6.42 0.02 1.07 0.54 5 K H H 119.24 6.19 16.12 23.26 100.85 68.23 -79.65 -12.93 39.05 2.17 58.78 26.41 6.88 7.43 52.86 4.51 0.02 1.26 0.63 6 T H H 67.13 7.46 15.63 24.01 107.48 79.63 -90.30 64.88 42.56 2.85 54.59 28.94 6.91 8.05 49.18 4.37 0.03 1.73 0.79 7 R H H 110.23 9.90 15.84 26.15 99.84 58.39 -76.81 -20.41 40.08 3.85 56.06 25.67 7.76 8.78 49.41 4.89 0.06 2.37 1.07 8 S H H 37.84 13.00 13.51 26.72 101.09 64.89 -76.49 -18.65 43.97 4.93 51.11 28.81 7.37 9.69 43.88 5.64 0.05 3.20 1.36 9 S H H 68.22 6.30 15.78 22.97 98.03 59.10 -73.64 -24.04 46.62 5.39 47.99 28.05 8.40 12.01 38.98 7.41 0.09 3.51 1.56 10 R C H 144.27 5.16 15.85 22.12 95.92 66.77 -74.05 -18.90 47.97 5.99 46.04 19.00 11.24 19.93 34.37 9.23 0.42 3.68 2.13 11 A C T 43.54 12.58 14.10 26.81 97.29 51.33 -83.72 2.62 70.44 1.68 27.87 10.53 12.10 46.59 19.45 9.31 0.10 0.91 1.00 12 G C T 47.78 4.55 19.72 24.84 97.19 -103.50 83.80 6.72 89.40 1.61 8.99 18.11 16.82 54.97 3.88 4.61 0.00 0.99 0.62 13 L C C 28.97 19.48 12.18 31.17 115.78 128.06 -93.58 129.08 82.79 11.97 5.24 64.35 11.31 6.44 2.63 2.76 0.00 7.55 4.96 14 Q C C 110.62 5.98 21.86 28.52 112.14 -162.86 -102.05 114.17 82.09 14.17 3.74 58.34 19.33 4.18 2.58 1.51 0.01 9.04 5.00 15 F C C 33.10 20.07 14.58 34.01 120.91 133.27 -110.10 132.45 89.68 8.42 1.90 59.77 29.35 1.25 1.88 0.42 0.00 5.50 1.83 16 P C C 51.80 8.06 23.13 31.70 111.09 -108.72 -67.82 139.40 90.51 6.17 3.33 87.17 2.28 1.24 3.01 0.52 0.00 3.83 1.96 17 V H H 41.77 19.38 15.71 34.01 94.11 -121.97 -60.87 -36.77 21.39 0.40 78.21 6.06 3.26 12.59 74.02 3.60 0.07 0.20 0.21 18 G H H 33.48 5.99 21.46 28.05 92.47 57.18 -62.22 -38.11 15.72 0.24 84.03 3.28 2.06 10.62 80.58 3.16 0.07 0.13 0.11 19 R H H 95.03 8.84 22.29 31.19 92.55 52.72 -67.91 -37.93 5.68 0.18 94.14 2.57 0.89 2.58 91.28 2.50 0.01 0.12 0.04 20 V H H 3.73 25.04 16.54 41.84 91.63 53.14 -62.89 -43.73 1.83 0.09 98.09 0.82 0.27 0.84 97.28 0.71 0.01 0.06 0.01 21 H H H 60.28 13.73 21.14 34.54 91.53 51.16 -62.60 -41.91 1.29 0.06 98.65 0.48 0.17 0.67 98.07 0.56 0.01 0.04 0.01 22 R H H 120.11 2.72 24.20 25.87 91.57 50.45 -64.09 -42.36 1.41 0.06 98.53 0.37 0.18 0.85 97.97 0.57 0.01 0.04 0.01 23 L H H 19.69 14.27 17.84 33.31 91.83 49.68 -64.46 -42.02 1.85 0.08 98.07 0.51 0.25 1.12 97.37 0.66 0.02 0.05 0.01 24 L H H 18.42 21.04 14.21 34.74 92.11 50.53 -65.13 -39.46 3.68 0.11 96.21 0.79 0.39 2.54 94.85 1.31 0.03 0.07 0.02 25 R H H 150.33 4.23 18.30 23.61 92.12 51.78 -67.03 -33.44 11.30 0.10 88.60 0.88 0.87 9.56 87.35 1.19 0.06 0.05 0.05 26 K C H 138.90 1.99 17.91 19.33 95.25 47.62 -88.59 -7.56 52.10 0.20 47.70 1.62 3.59 45.49 47.46 1.56 0.06 0.07 0.14 27 G C T 36.07 9.92 14.00 24.53 103.77 -108.74 84.13 14.13 96.41 0.39 3.20 11.07 15.31 70.26 2.10 0.87 0.00 0.19 0.19 28 N C C 75.22 5.84 18.02 24.80 104.71 131.52 -100.14 80.55 91.92 1.17 6.91 78.79 7.60 5.55 4.88 1.84 0.00 0.52 0.82 29 Y H H 36.20 20.52 11.47 31.29 94.89 154.96 -69.97 -26.05 30.66 1.12 68.22 15.38 5.68 10.83 50.13 16.78 0.08 0.58 0.54 30 S H H 59.79 9.44 15.51 25.86 91.62 68.09 -64.38 -28.91 18.97 0.41 80.61 3.90 2.76 11.25 59.91 21.66 0.12 0.24 0.17 31 E H H 144.56 1.46 19.21 19.65 93.97 52.16 -75.44 -28.37 16.93 0.46 82.62 2.77 2.47 10.67 62.44 21.04 0.17 0.26 0.18 32 R H H 104.34 10.35 16.35 26.90 101.02 43.39 -90.84 -29.20 24.53 0.85 74.62 4.32 5.13 15.87 61.69 11.69 0.45 0.42 0.44 33 V H H 33.79 18.44 12.62 29.93 106.08 34.26 -105.47 -5.61 46.61 5.99 47.39 14.51 19.20 16.70 38.92 3.74 0.74 1.55 4.63 34 G C C 33.00 5.31 18.90 25.15 123.50 -137.06 82.20 -166.86 68.51 2.15 29.34 40.71 10.50 16.28 7.14 22.99 0.01 1.03 1.34 35 A C T 85.83 3.75 17.31 22.22 94.79 -41.69 -67.15 -14.96 66.58 0.35 33.07 1.74 6.02 59.06 5.24 27.39 0.03 0.18 0.34 36 G C T 30.17 10.34 18.71 29.54 94.00 54.01 -76.16 -7.39 61.97 0.20 37.83 3.96 4.51 53.09 10.43 27.71 0.01 0.10 0.19 37 A H H 9.63 20.17 16.83 37.43 92.62 103.73 -61.06 -41.67 5.68 0.03 94.30 3.76 0.98 1.25 93.18 0.81 0.00 0.01 0.01 38 P H H 30.64 18.28 21.15 38.40 91.76 53.07 -63.65 -39.93 1.20 0.01 98.80 0.33 0.10 0.63 98.43 0.50 0.00 0.00 0.00 39 V H H 65.49 8.52 26.11 34.84 91.88 50.16 -65.23 -41.66 0.24 0.00 99.76 0.05 0.02 0.12 99.56 0.26 0.00 0.00 0.00 40 Y H H 59.25 14.85 25.35 39.61 91.87 49.27 -64.81 -42.50 0.11 0.00 99.88 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 41 L H H 5.98 24.65 23.33 47.30 91.61 49.84 -64.15 -42.80 0.12 0.00 99.88 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 42 A H H 19.15 16.57 24.54 40.74 91.28 51.45 -62.86 -41.95 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 43 A H H 35.07 8.16 26.71 35.84 91.37 50.79 -63.81 -42.10 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 44 V H H 13.27 19.88 24.05 43.40 91.47 49.71 -64.33 -42.85 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 45 L H H 7.77 23.97 22.39 45.64 91.37 50.88 -63.60 -42.14 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 46 E H H 83.42 10.58 25.50 36.00 91.42 51.47 -63.15 -41.45 0.08 0.00 99.92 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 47 Y H H 85.40 9.51 25.77 35.51 91.81 49.15 -64.89 -41.79 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.02 0.00 0.00 0.00 48 L H H 10.37 21.61 22.22 43.31 91.28 49.19 -65.06 -42.52 0.20 0.00 99.80 0.02 0.00 0.14 99.81 0.03 0.00 0.00 0.00 49 T H H 19.52 19.58 22.23 40.84 91.59 51.13 -63.41 -41.88 0.34 0.00 99.66 0.04 0.02 0.22 99.68 0.04 0.00 0.00 0.00 50 A H H 42.57 6.77 24.80 32.12 91.47 51.67 -63.88 -41.68 0.29 0.00 99.71 0.02 0.01 0.19 99.70 0.07 0.00 0.00 0.00 51 E H H 65.11 10.34 24.62 35.09 91.73 49.50 -65.45 -41.21 0.41 0.00 99.59 0.04 0.02 0.28 99.55 0.11 0.00 0.00 0.00 52 I H H 6.04 23.98 20.01 43.82 91.29 50.21 -63.99 -43.30 0.48 0.00 99.52 0.07 0.03 0.30 99.46 0.14 0.00 0.00 0.00 53 L H H 45.78 15.39 22.14 36.86 91.53 50.55 -63.29 -41.74 0.85 0.01 99.14 0.14 0.06 0.54 98.94 0.32 0.00 0.00 0.00 54 E H H 111.19 3.44 25.84 29.15 91.68 50.26 -64.40 -40.79 3.08 0.02 96.89 0.39 0.20 2.29 96.39 0.70 0.01 0.01 0.00 55 L H H 35.27 14.31 21.37 35.74 92.21 48.73 -66.67 -39.35 7.43 0.06 92.51 0.94 0.64 5.61 91.71 1.01 0.02 0.03 0.02 56 A H H 12.59 20.10 17.70 37.29 92.80 51.75 -67.96 -35.01 18.93 0.30 80.77 3.69 2.55 12.88 78.54 1.99 0.07 0.13 0.15 57 G H H 30.16 9.87 20.71 30.55 97.18 55.37 -56.87 -40.08 38.42 0.88 60.70 9.12 5.66 24.65 54.86 4.72 0.12 0.45 0.41 58 N H H 93.71 4.93 21.54 26.49 97.29 41.68 -79.68 -18.99 41.31 2.21 56.48 13.45 8.19 21.29 46.30 8.37 0.17 1.48 0.74 59 A H H 33.28 11.63 16.17 28.65 97.29 66.60 -75.04 -25.51 40.40 6.17 53.44 18.14 8.17 16.13 41.87 9.61 0.20 4.54 1.33 60 A C H 33.42 13.12 13.08 26.66 101.22 65.40 -80.83 -4.90 46.09 9.53 44.38 25.69 8.20 14.26 34.69 8.03 0.16 6.88 2.09 61 R C H 142.53 4.66 14.50 20.40 103.78 86.91 -81.99 1.04 54.60 9.55 35.85 26.19 11.42 18.43 28.60 6.23 0.36 6.28 2.51 62 D C T 106.05 2.96 13.49 17.39 102.12 45.41 -84.95 25.81 72.29 3.29 24.41 25.10 16.52 31.09 18.70 5.42 0.07 1.97 1.13 63 N C T 96.37 5.67 11.37 18.42 104.81 57.25 -88.20 59.87 82.34 1.16 16.50 28.73 19.44 34.57 10.54 5.55 0.01 0.53 0.63 64 K C C 142.01 3.93 12.75 18.00 98.90 127.60 -75.10 1.34 77.43 2.09 20.49 31.59 21.40 24.87 12.46 7.63 0.02 1.04 0.99 65 K C C 118.83 6.02 13.99 21.22 106.03 91.09 -88.15 63.93 69.81 6.22 23.97 37.48 17.34 15.29 15.36 8.58 0.05 3.91 1.99 66 T C C 64.49 10.88 14.49 25.82 107.92 84.12 -94.09 68.06 65.67 10.90 23.43 43.49 12.55 9.39 15.83 8.15 0.04 8.24 2.31 67 R C C 111.64 9.45 19.94 29.42 115.67 88.24 -98.32 131.03 61.09 17.23 21.68 38.41 14.86 7.97 15.39 6.87 0.07 13.22 3.20 68 I C C 25.58 20.92 15.18 35.50 112.40 -131.97 -91.25 119.43 61.11 21.78 17.11 44.38 12.15 4.04 13.81 4.14 0.05 13.04 8.37 69 I C C 53.11 10.53 21.99 32.89 119.41 -155.96 -93.15 146.59 79.59 2.47 17.94 69.59 6.95 1.52 19.20 0.77 0.00 1.41 0.57 70 P H H 50.33 14.60 16.81 31.30 93.33 -114.11 -58.19 -38.21 10.54 0.33 89.14 4.80 1.53 4.63 86.57 2.16 0.01 0.22 0.08 71 R H H 134.87 4.13 22.54 26.85 91.90 53.69 -63.82 -38.36 5.24 0.13 94.63 1.58 0.64 3.08 92.23 2.33 0.01 0.10 0.03 72 H H H 43.38 15.26 20.16 35.18 92.25 49.82 -66.28 -40.54 2.56 0.10 97.33 1.02 0.33 1.30 94.75 2.50 0.00 0.08 0.01 73 L H H 7.15 23.77 17.99 41.70 91.67 50.91 -64.14 -42.44 1.67 0.10 98.23 0.71 0.21 0.80 97.04 1.14 0.00 0.08 0.01 74 Q H H 73.47 10.36 23.35 33.65 91.39 51.65 -63.12 -41.59 1.72 0.16 98.12 0.54 0.18 0.99 97.26 0.87 0.00 0.14 0.01 75 L H H 52.56 6.68 23.89 31.29 91.54 50.73 -63.94 -42.31 1.85 0.22 97.94 0.48 0.21 1.15 96.88 1.05 0.01 0.21 0.02 76 A H H 7.40 18.13 17.98 36.99 91.69 50.49 -64.08 -41.67 2.56 0.24 97.20 0.73 0.29 1.53 95.81 1.41 0.01 0.21 0.02 77 I H H 27.53 18.31 17.65 35.55 92.76 48.07 -67.28 -38.52 5.22 0.15 94.63 0.84 0.51 3.79 92.48 2.21 0.03 0.10 0.04 78 R H H 141.53 4.46 20.71 25.65 92.47 51.54 -69.05 -30.44 16.41 0.12 83.47 1.05 1.31 14.00 81.93 1.53 0.06 0.05 0.06 79 N C T 84.57 6.23 17.38 24.24 102.00 34.08 -105.21 13.69 68.80 0.37 30.83 16.48 7.86 43.04 30.39 1.87 0.01 0.13 0.23 80 D H H 53.21 15.98 11.51 26.41 100.55 147.02 -68.99 10.18 35.22 0.36 64.42 27.94 4.44 3.56 61.41 2.35 0.00 0.12 0.18 81 E H H 134.18 1.94 18.78 20.47 93.55 61.58 -64.90 -39.17 5.13 0.05 94.82 1.13 0.66 3.30 91.21 3.66 0.01 0.03 0.02 82 E H H 87.14 5.98 18.63 25.40 92.39 50.31 -65.96 -40.17 3.06 0.07 96.87 0.83 0.33 1.92 93.44 3.40 0.01 0.05 0.01 83 L H H 7.56 22.45 12.45 34.95 91.80 50.78 -64.30 -42.23 1.91 0.06 98.03 0.59 0.25 1.07 95.40 2.63 0.01 0.05 0.01 84 N H H 63.92 11.63 17.07 29.07 91.26 53.26 -63.53 -38.43 2.87 0.06 97.07 0.68 0.29 1.85 94.56 2.55 0.01 0.05 0.01 85 K H H 142.06 1.61 21.79 22.24 92.18 52.28 -66.20 -38.35 5.10 0.06 94.83 0.45 0.38 4.34 91.67 3.06 0.03 0.04 0.02 86 L H H 45.65 14.32 17.71 31.92 94.89 45.16 -73.24 -38.77 7.87 0.10 92.03 0.47 0.66 6.97 89.84 1.89 0.07 0.05 0.04 87 L H H 19.35 20.77 14.69 34.84 97.74 36.56 -92.77 -15.40 26.65 1.78 71.58 5.02 5.06 18.41 67.21 2.31 0.34 0.82 0.83 88 G C T 35.78 5.41 19.97 26.27 112.22 -144.37 71.20 -139.10 76.81 6.30 16.88 22.30 17.53 37.07 11.53 5.42 0.08 4.70 1.36 89 R C T 148.89 4.57 20.15 25.41 116.21 -8.80 -94.61 124.94 65.01 19.54 15.46 23.78 15.48 27.25 8.17 6.60 0.14 16.90 1.69 90 V C C 32.66 20.37 12.32 31.67 121.84 -169.31 -112.67 132.99 56.85 33.26 9.90 47.12 5.94 2.67 7.11 3.16 0.03 31.95 2.04 91 T E E 69.28 6.62 22.41 29.48 119.46 -160.71 -109.57 133.14 34.70 56.79 8.51 29.57 2.68 1.69 7.03 2.23 0.02 53.36 3.44 92 I E E 50.37 17.57 14.17 31.02 114.31 -155.57 -100.52 121.52 31.49 55.77 12.74 25.15 3.71 2.69 9.56 4.12 0.04 51.50 3.22 93 A C E 51.72 9.27 16.03 25.87 109.27 -140.83 -86.65 118.47 42.54 34.77 22.68 26.71 8.05 9.93 8.02 13.08 0.07 32.20 1.94 94 Q C T 128.11 3.81 16.96 21.56 105.95 1.89 -85.92 70.48 52.58 23.05 24.37 15.33 12.93 27.90 5.50 16.50 0.27 18.97 2.60 95 G C T 44.08 6.86 16.26 23.73 106.00 -18.38 84.78 0.53 73.42 6.25 20.34 15.16 17.42 41.87 3.44 15.99 0.04 4.49 1.59 96 G C S 30.57 11.71 16.33 27.88 115.69 -16.94 96.98 0.92 78.52 14.74 6.75 25.44 27.74 26.97 1.39 4.92 0.03 11.27 2.26 97 V C C 56.29 13.32 17.00 30.42 120.92 -56.37 -106.47 135.66 59.67 36.34 3.99 34.75 19.81 5.57 2.25 2.27 0.13 22.12 13.11 98 L C C 36.75 16.35 14.40 30.96 111.65 -131.61 -89.79 120.68 75.88 20.05 4.07 59.03 13.32 3.11 2.39 2.03 0.01 16.33 3.78 99 P C T 77.23 7.26 17.44 25.58 100.04 -135.50 -64.07 -21.55 75.34 11.00 13.66 20.74 11.93 43.08 7.09 6.21 0.09 9.28 1.59 100 N C T 107.98 4.41 18.63 23.61 97.75 36.61 -85.62 16.78 72.54 10.80 16.65 18.96 12.14 42.02 8.85 7.37 0.13 8.81 1.71 101 I C C 33.00 20.11 11.34 30.29 112.59 113.45 -90.75 120.38 56.72 21.93 21.35 43.46 7.69 5.25 13.82 8.38 0.05 17.26 4.08 102 Q C C 106.43 6.55 19.84 27.00 110.17 -150.62 -94.70 114.37 43.14 27.05 29.81 32.03 5.82 5.35 17.90 12.31 0.07 23.67 2.85 103 A H E 41.84 13.62 15.93 29.43 110.87 60.34 -85.26 125.43 31.51 27.41 41.09 20.72 6.46 6.72 16.12 22.47 0.08 25.79 1.63 104 V H E 58.91 12.59 17.14 29.80 108.50 -144.70 -94.87 99.93 30.99 29.80 39.21 19.79 6.50 7.27 14.69 21.93 0.09 28.04 1.69 105 L C E 64.34 13.02 16.74 29.68 106.79 77.20 -92.59 52.09 35.74 30.12 34.14 21.77 8.45 8.71 13.05 19.56 0.29 24.84 3.32 106 L C C 59.21 13.39 13.02 26.76 118.20 106.34 -100.41 130.91 75.54 22.66 1.80 43.84 30.75 2.29 0.82 1.01 0.00 18.88 2.41 107 P C C 71.57 7.69 12.91 22.04 113.43 -110.60 -67.96 148.39 81.34 16.72 1.95 69.09 7.69 3.65 0.74 1.08 0.00 15.89 1.85 108 K C C 143.59 4.18 10.94 17.15 110.99 -115.35 -81.51 132.07 90.24 8.20 1.55 84.99 1.94 3.68 0.66 0.65 0.00 5.71 2.37 109 K C C 148.76 3.15 12.85 17.69 110.90 -123.65 -86.26 128.45 99.82 0.16 0.02 99.72 0.12 0.05 0.01 0.00 0.00 0.09 0.01