# 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 G C C 37.19 7.65 14.18 22.79 118.38 54.05 93.67 -174.46 99.86 0.09 0.05 99.69 0.13 0.09 0.03 0.00 0.00 0.03 0.02 1 N C C 90.72 5.90 11.65 18.82 109.91 -89.85 -90.11 113.03 79.68 2.28 18.04 71.55 1.80 6.99 14.07 3.17 0.00 0.98 1.44 2 A C H 71.25 4.24 10.76 16.54 97.13 67.89 -70.05 -28.59 51.45 1.95 46.60 24.75 10.56 17.99 33.19 11.50 0.07 0.96 0.98 3 L H H 106.76 3.26 11.12 15.52 95.43 61.91 -70.32 -29.40 31.17 1.15 67.68 12.69 5.98 12.51 46.42 21.24 0.06 0.66 0.44 4 T H H 74.05 4.23 11.07 16.93 95.45 60.42 -70.57 -30.93 21.57 0.95 77.49 9.63 3.65 7.93 50.74 27.17 0.03 0.60 0.26 5 H H H 101.35 5.80 10.50 17.92 95.46 61.74 -71.05 -30.37 22.51 0.97 76.52 7.64 3.60 10.45 51.78 25.55 0.07 0.60 0.31 6 Y H H 143.20 3.96 11.37 16.75 96.91 55.07 -77.42 -24.29 32.34 1.20 66.46 10.93 5.76 15.89 49.49 16.62 0.11 0.70 0.50 7 M C H 121.12 3.30 11.87 16.16 99.39 48.41 -86.07 -19.02 53.63 1.64 44.73 20.38 18.31 18.44 34.95 6.08 0.11 0.61 1.13 8 K C C 101.08 4.98 10.93 17.73 110.79 41.66 -117.69 91.74 99.08 0.45 0.46 78.68 19.76 0.63 0.22 0.19 0.00 0.16 0.36 9 P C G 86.58 6.67 9.97 18.55 94.75 -170.01 -64.07 -22.76 50.19 0.34 49.47 9.70 4.69 31.02 1.54 52.76 0.00 0.19 0.10 10 D H G 116.24 1.83 14.66 16.72 93.80 64.19 -80.51 -7.56 49.76 0.40 49.84 5.56 5.59 34.54 1.61 52.35 0.00 0.22 0.13 11 V C G 64.31 9.09 12.10 22.55 103.97 69.44 -94.71 15.51 50.88 1.48 47.65 21.52 11.63 15.38 1.89 48.30 0.00 0.81 0.47 12 M C S 91.08 8.42 14.61 24.46 119.17 128.90 -98.82 134.85 98.63 1.14 0.22 44.47 53.91 0.45 0.07 0.10 0.00 0.37 0.63 13 P C C 44.21 14.88 12.00 26.94 114.73 -106.25 -66.43 150.41 98.18 1.71 0.11 88.75 8.83 0.44 0.03 0.07 0.00 0.57 1.32 14 G C C 33.69 5.98 15.75 23.07 109.05 -119.09 -86.32 119.53 99.00 0.89 0.10 96.30 2.41 0.24 0.03 0.05 0.00 0.25 0.72 15 P C T 79.87 9.72 10.35 21.19 92.94 -145.50 -66.88 -17.07 97.86 0.16 1.98 6.65 8.13 82.48 0.10 2.47 0.00 0.10 0.08 16 D C T 122.99 1.15 13.38 14.33 94.40 60.41 -84.83 -7.26 98.01 0.17 1.82 3.97 10.48 83.02 0.08 2.28 0.00 0.11 0.06 17 V C S 92.77 3.42 12.13 17.29 119.25 74.94 -105.74 132.51 98.49 0.66 0.85 26.22 71.12 1.21 0.14 0.54 0.00 0.20 0.56 18 V C C 105.91 4.25 12.67 18.86 114.88 -117.26 -73.87 141.12 99.65 0.28 0.07 92.56 6.87 0.22 0.02 0.04 0.00 0.10 0.19 19 P C C 44.67 15.47 8.64 23.58 114.68 -107.59 -65.68 146.19 99.10 0.55 0.35 97.03 1.43 0.72 0.08 0.18 0.00 0.19 0.37 20 T C S 113.85 1.40 16.86 17.77 97.41 -150.70 -88.59 -10.91 98.94 0.82 0.24 47.99 48.74 2.17 0.05 0.18 0.00 0.25 0.62 21 F C S 80.96 9.97 10.42 21.72 121.94 71.27 -106.93 142.47 97.20 2.61 0.19 28.93 67.19 0.63 0.06 0.08 0.00 0.47 2.64 22 D C C 76.30 5.70 14.43 21.55 108.31 -115.38 -82.13 118.91 99.63 0.25 0.11 97.40 2.10 0.19 0.03 0.04 0.00 0.08 0.16 23 P C T 71.82 9.57 10.71 21.73 93.04 -149.46 -63.94 -21.77 58.44 0.20 41.35 4.39 3.46 46.57 1.53 43.85 0.00 0.11 0.10 24 L C G 112.20 3.99 14.33 19.60 93.53 65.72 -81.23 -6.36 52.85 0.31 46.84 2.38 3.35 44.73 2.30 46.92 0.00 0.17 0.15 25 L C G 86.66 6.82 11.97 20.28 107.84 99.61 -79.49 109.18 50.64 0.49 48.87 3.32 6.84 37.27 1.73 50.32 0.00 0.25 0.27 26 G C T 45.80 4.24 13.75 19.27 105.64 -21.05 90.12 -4.14 89.88 0.41 9.71 12.26 11.94 64.54 1.41 9.34 0.00 0.21 0.30 27 F C C 74.50 11.70 7.95 19.81 110.06 94.72 -94.38 104.49 91.43 3.94 4.63 66.01 19.73 4.55 1.49 2.99 0.00 1.08 4.16 28 K C T 163.09 1.22 13.12 14.52 97.60 -146.20 -70.67 -24.84 88.74 1.76 9.51 32.05 20.38 36.14 1.43 8.23 0.00 0.80 0.97 29 S C T 88.43 1.72 12.54 14.74 99.18 38.78 -88.66 17.13 89.16 1.28 9.56 24.96 25.82 38.07 1.17 8.67 0.00 0.58 0.73 30 R C C 96.76 12.24 7.45 19.46 116.18 114.80 -86.29 137.92 92.72 1.71 5.57 73.45 13.62 5.06 1.29 4.56 0.00 0.70 1.32 31 K C C 135.43 2.78 14.12 18.25 118.16 -145.44 -92.23 143.78 96.31 2.22 1.47 88.52 6.54 1.26 0.59 0.75 0.00 0.93 1.42 32 E C C 129.67 4.61 14.00 20.49 114.01 -103.42 -73.00 139.22 95.12 4.25 0.62 92.46 2.57 0.48 0.27 0.24 0.00 1.74 2.24 33 R C C 101.11 12.58 10.75 23.58 114.89 -124.67 -82.91 137.16 95.47 4.17 0.36 93.88 1.88 0.31 0.15 0.14 0.00 1.79 1.84 34 V C C 88.81 6.01 16.48 23.94 120.39 -154.17 -108.59 135.27 95.51 4.32 0.17 93.98 2.04 0.18 0.07 0.06 0.00 2.34 1.32 35 M C C 72.31 14.36 13.91 28.25 114.81 -124.87 -81.01 135.42 94.37 5.49 0.15 93.36 1.68 0.19 0.06 0.06 0.00 3.48 1.17 36 I C C 83.56 8.89 20.47 29.58 109.98 -162.33 -99.93 96.64 87.00 12.71 0.28 83.60 3.41 0.24 0.19 0.10 0.00 6.35 6.11 37 A C C 10.81 21.51 12.31 33.26 121.87 -95.98 -101.04 141.34 97.23 2.59 0.18 93.41 4.02 0.18 0.12 0.05 0.00 1.27 0.94 38 T C C 56.32 4.57 22.34 26.69 124.49 -134.37 -89.57 165.54 98.53 1.08 0.39 97.84 0.89 0.13 0.31 0.04 0.00 0.35 0.45 39 Q H H 96.54 10.67 14.34 25.66 91.26 -104.49 -58.18 -38.50 1.48 0.00 98.52 0.36 0.24 0.66 98.52 0.22 0.00 0.00 0.00 40 E H H 128.15 1.28 19.96 19.38 91.39 53.38 -63.00 -40.56 0.72 0.00 99.28 0.14 0.07 0.38 99.16 0.24 0.00 0.00 0.00 41 E H H 55.17 10.01 16.70 28.01 91.98 49.19 -65.93 -40.02 0.32 0.00 99.68 0.06 0.02 0.17 99.46 0.29 0.00 0.00 0.00 42 M H H 9.66 21.61 11.57 33.07 91.61 50.59 -63.77 -42.83 0.37 0.00 99.63 0.07 0.03 0.20 99.44 0.27 0.00 0.00 0.00 43 E H H 112.53 4.30 18.27 23.56 91.72 49.96 -64.20 -40.79 1.32 0.00 98.67 0.09 0.05 1.05 98.36 0.45 0.00 0.00 0.00 44 S H H 78.46 2.12 18.68 20.57 91.12 52.73 -65.95 -31.24 7.60 0.00 92.40 0.14 0.19 7.51 91.61 0.55 0.00 0.00 0.00 45 A C T 24.35 15.40 13.13 29.05 93.76 54.06 -83.95 -3.66 77.78 0.02 22.19 0.76 1.93 74.08 22.32 0.88 0.00 0.01 0.03 46 K C T 155.89 2.00 20.89 22.81 94.13 -126.05 59.20 39.54 99.41 0.01 0.58 3.71 1.15 94.74 0.31 0.08 0.00 0.00 0.00 47 L C C 17.57 21.62 8.96 29.56 117.32 171.07 -82.34 137.96 99.85 0.10 0.05 87.98 11.77 0.08 0.02 0.01 0.00 0.02 0.11 48 P C C 63.65 3.76 20.62 24.43 113.83 -106.96 -65.02 146.95 99.76 0.07 0.16 99.55 0.23 0.09 0.03 0.05 0.00 0.02 0.04 49 L H G 92.89 11.64 12.90 24.93 91.69 -116.62 -58.71 -34.56 10.51 0.07 89.42 1.02 1.14 6.49 0.78 90.52 0.00 0.05 0.01 50 E H G 140.60 2.25 19.05 21.65 90.90 62.30 -69.48 -16.08 9.89 0.06 90.05 0.50 0.81 6.85 0.60 91.20 0.00 0.04 0.00 51 F H G 67.08 13.26 15.76 29.48 98.68 55.01 -98.79 1.89 12.03 0.15 87.82 2.30 1.70 5.65 0.86 89.37 0.00 0.10 0.02 52 R C C 45.22 19.95 14.70 33.61 111.69 98.45 -87.57 117.25 94.54 1.48 3.98 82.78 9.39 2.00 2.01 1.56 0.00 0.33 1.94 53 D C T 54.01 12.59 22.37 34.02 103.57 91.82 -82.45 -46.54 83.96 0.67 15.37 13.03 24.11 48.00 7.55 6.29 0.01 0.23 0.78 54 Y C T 97.80 11.91 23.79 34.97 97.99 -23.71 -75.74 -19.64 81.79 0.36 17.85 2.20 13.29 67.34 11.37 5.21 0.04 0.14 0.41 55 C C T 11.02 20.98 20.08 40.55 98.44 57.42 -93.07 -13.09 63.17 1.26 35.56 15.48 7.29 39.68 30.09 5.80 0.09 0.43 1.14 56 A H H 10.27 20.38 19.50 39.74 92.58 84.59 -61.36 -41.83 1.40 0.00 98.60 0.36 0.14 0.67 98.21 0.61 0.00 0.00 0.00 57 H H H 92.54 7.70 25.77 33.92 91.64 52.32 -64.40 -40.16 0.40 0.00 99.60 0.05 0.02 0.26 99.13 0.53 0.00 0.00 0.00 58 L H H 40.41 14.00 23.90 37.64 92.10 49.36 -65.69 -41.08 0.28 0.00 99.72 0.02 0.01 0.21 99.09 0.66 0.00 0.00 0.00 59 A H H 6.34 21.73 20.43 41.82 92.05 50.43 -64.42 -42.37 0.26 0.00 99.74 0.03 0.02 0.17 99.62 0.16 0.00 0.00 0.00 60 I H H 44.57 11.51 23.56 35.51 91.73 50.81 -63.82 -42.35 0.14 0.00 99.86 0.01 0.01 0.09 99.84 0.05 0.00 0.00 0.00 61 A H H 43.96 7.54 24.48 32.43 91.64 50.18 -63.98 -41.22 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 62 Y H H 24.32 18.81 19.56 38.16 91.98 50.01 -64.60 -42.48 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 63 Q H H 57.92 11.99 21.81 33.81 91.80 50.43 -63.59 -41.21 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 64 A H H 46.38 4.20 22.49 26.77 91.59 50.24 -64.19 -41.51 0.29 0.00 99.71 0.02 0.01 0.20 99.74 0.03 0.00 0.00 0.00 65 C H H 14.84 12.28 15.93 30.29 91.47 50.64 -63.62 -41.88 0.45 0.00 99.55 0.04 0.02 0.29 99.54 0.11 0.00 0.00 0.00 66 R H H 83.44 12.51 15.29 28.04 92.16 51.65 -64.72 -38.97 0.71 0.00 99.29 0.06 0.04 0.51 99.16 0.23 0.00 0.00 0.00 67 S H H 73.66 3.02 16.99 20.45 93.20 48.58 -70.39 -34.55 2.24 0.00 97.76 0.06 0.08 2.04 97.52 0.30 0.00 0.00 0.00 68 D H H 104.44 1.88 16.22 17.87 99.92 34.80 -91.74 -25.58 12.65 0.01 87.34 0.19 0.49 11.87 87.03 0.41 0.00 0.00 0.00 69 T H H 68.56 6.40 12.90 20.60 109.21 25.10 -117.29 1.18 38.28 0.20 61.52 3.11 6.63 27.73 61.52 0.70 0.07 0.05 0.19 70 F C C 91.73 8.36 10.26 20.03 116.75 -133.62 -82.99 141.11 96.13 0.75 3.12 68.41 15.58 11.95 0.88 2.27 0.00 0.31 0.61 71 P C T 91.49 4.02 13.66 18.71 98.32 -14.26 -68.27 -8.57 94.54 0.28 5.18 6.42 31.16 56.62 0.53 4.90 0.00 0.14 0.23 72 F C T 114.96 4.50 13.81 19.52 102.65 48.40 -95.19 72.05 90.11 0.58 9.31 31.00 18.47 40.48 1.74 7.58 0.00 0.22 0.50 73 V H G 62.75 11.59 10.63 23.00 94.48 169.08 -64.27 -31.64 36.30 0.42 63.27 12.75 6.28 17.11 10.59 52.86 0.00 0.22 0.19 74 Y H G 160.31 2.33 16.06 18.86 91.94 60.13 -67.76 -27.65 21.84 0.16 78.01 3.11 2.64 14.95 10.17 68.98 0.00 0.09 0.05 75 K H G 112.37 4.90 16.83 22.62 92.65 60.48 -74.39 -20.35 20.33 0.14 79.53 2.90 2.55 13.95 9.66 70.82 0.00 0.08 0.05 76 C H G 14.18 18.51 10.40 28.98 98.55 53.05 -99.78 7.78 43.94 0.47 55.59 17.48 6.32 19.78 12.00 43.87 0.00 0.22 0.33 77 A H H 55.18 6.18 16.72 24.55 92.49 106.85 -59.91 -41.59 4.20 0.01 95.79 1.69 0.66 1.80 94.27 1.57 0.00 0.00 0.01 78 H H H 121.79 1.96 20.41 21.19 91.76 50.60 -64.82 -39.74 1.79 0.00 98.21 0.21 0.12 1.29 96.90 1.47 0.00 0.00 0.00 79 Q H H 38.91 13.61 16.45 30.71 91.91 50.07 -65.83 -40.65 0.96 0.00 99.04 0.16 0.06 0.62 97.79 1.37 0.00 0.00 0.00 80 K H H 69.36 13.43 17.13 30.54 91.50 51.82 -62.79 -42.03 0.44 0.00 99.56 0.10 0.03 0.23 99.40 0.24 0.00 0.00 0.00 81 H H H 104.11 2.55 21.96 23.36 91.53 49.78 -63.98 -41.72 0.25 0.00 99.75 0.05 0.01 0.14 99.74 0.06 0.00 0.00 0.00 82 E H H 87.71 5.56 21.17 27.09 91.81 49.98 -64.49 -41.49 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 83 Y H H 32.10 16.87 16.55 33.75 91.51 49.99 -63.75 -42.43 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 84 L H H 72.78 6.48 21.33 28.32 91.40 50.22 -63.23 -41.36 0.17 0.00 99.83 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 85 T H H 70.97 2.78 22.83 24.57 91.75 49.46 -64.72 -41.86 0.40 0.00 99.60 0.02 0.01 0.28 99.64 0.04 0.00 0.00 0.00 86 C H H 19.92 12.43 17.73 31.77 91.87 50.83 -64.01 -42.15 0.51 0.00 99.49 0.05 0.02 0.33 99.52 0.08 0.00 0.00 0.00 87 E H H 64.67 11.71 19.35 31.31 91.84 50.98 -63.54 -41.80 0.29 0.00 99.71 0.02 0.01 0.19 99.73 0.05 0.00 0.00 0.00 88 Y H H 117.59 3.51 21.78 24.86 92.02 49.69 -64.29 -42.32 0.17 0.00 99.83 0.01 0.01 0.10 99.84 0.03 0.00 0.00 0.00 89 E H H 91.70 4.48 21.32 25.89 91.76 49.30 -64.62 -41.44 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 90 D H H 27.19 13.38 16.56 31.01 91.95 50.41 -64.52 -41.40 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 91 Y H H 93.07 7.50 19.53 27.75 91.89 50.39 -64.37 -41.55 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 92 V H H 72.90 3.15 20.77 23.46 91.79 49.65 -64.27 -42.50 0.27 0.00 99.73 0.04 0.02 0.16 99.75 0.03 0.00 0.00 0.00 93 L H H 62.46 6.87 18.86 26.83 91.95 49.45 -64.76 -41.24 0.46 0.00 99.54 0.12 0.04 0.25 99.54 0.05 0.00 0.00 0.00 94 R H H 78.03 10.74 17.29 28.66 92.04 50.18 -64.33 -41.20 0.81 0.00 99.19 0.23 0.07 0.45 99.16 0.08 0.00 0.00 0.00 95 M H H 88.33 4.30 19.41 23.96 91.81 50.28 -64.19 -41.23 0.72 0.00 99.28 0.23 0.08 0.37 99.24 0.08 0.00 0.00 0.00 96 K H H 105.46 2.76 19.71 22.07 91.62 49.87 -64.68 -41.14 0.77 0.00 99.23 0.27 0.08 0.38 99.19 0.08 0.00 0.00 0.00 97 E H H 63.51 7.79 16.93 26.05 91.78 50.41 -64.44 -41.35 0.80 0.00 99.19 0.28 0.08 0.39 99.16 0.08 0.00 0.00 0.00 98 F H H 77.52 6.46 17.26 24.84 91.79 49.79 -64.23 -41.48 0.75 0.00 99.25 0.26 0.07 0.36 99.23 0.09 0.00 0.00 0.00 99 E H H 92.93 2.75 18.74 21.25 91.60 50.67 -63.47 -41.75 0.54 0.00 99.46 0.16 0.05 0.27 99.47 0.06 0.00 0.00 0.00 100 R H H 111.56 3.82 17.70 21.98 91.82 49.81 -64.82 -40.93 0.51 0.00 99.48 0.11 0.04 0.28 99.51 0.05 0.00 0.00 0.00 101 E H H 71.69 6.64 15.85 23.70 91.88 50.61 -64.40 -41.05 0.53 0.00 99.47 0.12 0.04 0.29 99.50 0.06 0.00 0.00 0.00 102 R H H 124.02 3.04 17.58 20.62 91.74 50.24 -64.31 -40.85 0.56 0.00 99.43 0.13 0.05 0.29 99.47 0.07 0.00 0.00 0.00 103 R H H 122.53 2.11 17.42 19.11 91.76 50.18 -64.49 -41.09 0.74 0.00 99.25 0.16 0.06 0.39 99.31 0.09 0.00 0.00 0.00 104 L H H 64.70 4.60 15.03 21.13 91.83 50.20 -64.31 -41.01 0.84 0.00 99.16 0.19 0.07 0.42 99.20 0.12 0.00 0.00 0.00 105 L H H 74.71 3.79 14.59 19.43 91.76 50.80 -64.23 -40.40 1.12 0.00 98.87 0.27 0.10 0.57 98.88 0.18 0.00 0.00 0.00 106 E H H 100.76 1.88 14.57 16.42 91.74 50.83 -64.48 -40.25 1.84 0.01 98.15 0.41 0.17 1.03 98.00 0.38 0.00 0.00 0.00 107 R H H 127.47 2.17 12.50 15.40 91.83 51.04 -65.67 -38.83 3.22 0.02 96.76 0.79 0.31 1.88 95.88 1.14 0.00 0.01 0.00 108 Q H H 108.49 3.06 10.86 15.16 92.08 52.53 -66.85 -36.07 8.33 0.03 91.64 1.27 0.62 6.06 89.18 2.83 0.00 0.01 0.01 109 K H H 151.46 1.22 10.48 12.13 92.60 53.38 -68.88 -28.46 28.91 0.06 71.02 2.79 1.62 24.02 68.66 2.84 0.01 0.02 0.04 110 R C H 172.84 1.16 9.78 11.46 95.77 56.95 -76.61 -16.43 55.00 0.16 44.83 18.36 1.15 33.10 45.16 2.06 0.00 0.06 0.11 111 L C C 109.78 3.83 9.94 15.44 102.23 84.31 -77.24 -1.17 99.91 0.03 0.06 99.75 0.09 0.09 0.05 0.00 0.00 0.01 0.01