# 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 I C C 26.40 19.51 14.04 32.88 106.64 -156.02 -94.60 91.60 99.83 0.08 0.09 99.76 0.08 0.06 0.04 0.00 0.00 0.03 0.02 1 R H H 141.32 4.42 16.34 22.07 94.72 149.32 -66.63 -36.73 32.87 0.35 66.77 21.68 2.05 9.90 38.41 27.59 0.00 0.22 0.15 2 D H G 94.82 2.90 17.41 20.65 92.63 55.74 -68.18 -28.05 26.66 0.33 73.01 5.78 3.65 15.31 37.35 37.54 0.03 0.18 0.17 3 L H G 17.99 19.66 10.95 30.13 94.59 53.61 -82.00 -16.94 15.48 0.19 84.33 4.03 2.07 8.12 38.54 47.05 0.01 0.11 0.07 4 R H H 102.36 13.14 13.54 26.54 93.52 79.63 -64.86 -27.74 31.93 0.12 67.94 2.09 2.59 24.45 36.61 34.06 0.03 0.06 0.11 5 D C T 123.92 0.86 18.01 16.95 95.23 49.74 -88.83 -0.51 59.61 0.11 40.28 2.91 4.14 52.07 16.40 24.28 0.01 0.05 0.14 6 K C S 57.11 13.31 8.88 22.62 120.63 109.01 -80.89 149.72 99.28 0.26 0.46 31.39 67.41 0.49 0.30 0.09 0.00 0.05 0.26 7 S C C 60.93 2.06 20.06 20.58 119.55 -109.27 -72.77 160.60 98.98 0.75 0.27 98.36 0.55 0.08 0.20 0.02 0.00 0.12 0.68 8 K H H 96.29 13.48 12.01 25.41 91.57 -106.19 -58.02 -39.15 1.56 0.00 98.44 0.22 0.21 0.96 98.17 0.43 0.00 0.00 0.00 9 D H H 105.96 1.49 18.67 19.33 91.45 52.81 -64.18 -40.14 0.89 0.00 99.11 0.08 0.07 0.65 98.65 0.55 0.00 0.00 0.00 10 E H H 89.12 3.72 19.00 23.02 91.57 49.03 -65.21 -40.61 0.35 0.00 99.65 0.06 0.03 0.21 99.21 0.49 0.00 0.00 0.00 11 L H H 8.64 20.23 13.25 33.99 91.56 50.66 -63.16 -43.11 0.18 0.00 99.82 0.04 0.01 0.09 99.74 0.12 0.00 0.00 0.00 12 L H H 53.79 11.11 18.93 30.75 91.47 50.61 -63.51 -41.55 0.21 0.00 99.79 0.02 0.01 0.13 99.77 0.07 0.00 0.00 0.00 13 K H H 121.49 1.57 23.67 22.85 91.74 50.11 -63.98 -41.83 0.36 0.00 99.64 0.02 0.01 0.30 99.62 0.06 0.00 0.00 0.00 14 Q H H 52.97 10.45 20.28 31.50 91.87 49.36 -65.24 -41.19 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 15 L H H 10.98 21.32 16.19 37.51 91.48 51.08 -63.39 -42.22 0.17 0.00 99.83 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 16 M H H 90.42 4.72 22.42 27.32 91.50 50.87 -63.50 -41.37 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 17 E H H 99.14 2.86 23.24 25.09 91.72 49.83 -64.60 -41.41 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 18 F H H 22.92 17.52 17.48 35.37 91.81 49.98 -64.57 -41.90 0.17 0.00 99.83 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 19 K H H 76.89 13.85 19.35 32.62 91.31 52.62 -62.41 -41.73 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 20 K H H 122.51 1.89 23.80 23.95 91.79 50.07 -64.47 -41.66 0.20 0.00 99.80 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 21 E H H 71.50 8.12 21.43 30.16 91.67 49.39 -65.00 -41.31 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 22 L H H 16.39 19.43 16.54 35.96 91.74 50.29 -63.95 -41.39 0.17 0.00 99.83 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 23 S H H 48.63 5.97 21.88 28.30 91.31 52.16 -63.33 -40.67 0.36 0.00 99.64 0.02 0.01 0.27 99.63 0.07 0.00 0.00 0.00 24 Q H H 103.61 2.82 23.69 25.74 91.94 50.36 -65.50 -40.15 0.78 0.00 99.22 0.03 0.02 0.63 99.19 0.12 0.00 0.00 0.00 25 L H H 21.94 16.21 16.76 33.49 92.04 51.28 -64.69 -41.44 0.84 0.00 99.16 0.09 0.05 0.54 99.09 0.23 0.00 0.00 0.00 26 R H H 94.13 11.50 19.85 31.28 91.69 52.41 -63.47 -41.46 1.38 0.01 98.61 0.28 0.11 0.81 98.36 0.44 0.00 0.00 0.00 27 V H H 82.08 2.64 21.91 23.38 92.28 49.74 -64.53 -41.67 2.00 0.02 97.98 0.37 0.21 1.27 97.40 0.73 0.01 0.01 0.00 28 A H H 27.09 7.80 16.22 26.25 92.12 50.85 -64.92 -40.20 3.68 0.04 96.28 0.80 0.42 2.31 95.22 1.21 0.01 0.02 0.01 29 Q H H 57.70 13.37 13.69 27.28 92.46 51.72 -66.17 -38.62 8.61 0.09 91.29 1.65 0.90 5.90 89.30 2.13 0.03 0.05 0.04 30 Q H H 116.16 3.81 16.04 20.68 93.02 51.86 -69.81 -30.70 15.02 0.10 84.88 1.67 1.59 11.63 83.22 1.76 0.05 0.04 0.06 31 L C H 109.76 2.48 14.30 17.18 98.75 50.67 -88.71 -3.58 53.18 0.29 46.52 3.60 7.81 40.35 45.73 2.12 0.07 0.10 0.23 32 N C T 119.83 2.86 13.43 17.53 101.04 -87.50 27.28 21.93 92.73 0.19 7.08 11.41 17.53 63.77 5.40 1.67 0.00 0.08 0.14 33 S C C 61.09 5.72 12.53 19.72 102.26 113.25 -85.68 27.26 93.89 0.40 5.71 58.65 18.87 16.34 2.92 2.72 0.00 0.16 0.32 34 A C C 46.13 11.03 11.45 23.12 96.62 131.36 -68.25 -26.28 66.31 0.70 32.98 44.62 10.87 10.63 17.39 15.65 0.00 0.28 0.56 35 G H G 46.44 3.98 15.67 20.63 94.48 63.44 -64.23 -35.81 47.98 0.48 51.54 16.00 9.66 21.74 22.62 29.40 0.01 0.21 0.35 36 T H H 88.64 3.39 17.00 20.85 96.45 50.93 -79.44 -16.98 42.38 0.60 57.02 15.69 7.09 18.54 29.21 28.82 0.02 0.28 0.36 37 R H H 75.20 14.49 14.42 28.42 96.38 60.68 -79.10 -16.43 35.70 0.55 63.75 22.32 5.34 8.19 45.74 17.89 0.00 0.26 0.26 38 L H H 60.57 13.51 15.83 29.36 93.03 75.38 -62.43 -40.66 9.77 0.06 90.17 4.55 1.43 3.70 86.99 3.27 0.00 0.03 0.03 39 G H H 39.07 2.76 21.86 23.84 91.64 52.19 -63.83 -40.53 5.48 0.03 94.50 1.79 0.61 2.79 92.32 2.46 0.00 0.01 0.01 40 R H H 93.96 9.56 20.94 30.65 92.00 50.69 -65.61 -40.06 1.99 0.01 98.00 0.63 0.22 1.02 96.75 1.37 0.00 0.00 0.00 41 I H H 10.59 21.87 16.24 38.03 91.77 51.58 -63.79 -42.09 0.58 0.00 99.42 0.19 0.06 0.26 99.22 0.27 0.00 0.00 0.00 42 R H H 113.31 7.38 23.12 30.77 91.29 51.94 -62.97 -41.03 0.33 0.00 99.67 0.08 0.02 0.16 99.64 0.10 0.00 0.00 0.00 43 L H H 75.63 5.04 24.36 29.44 91.62 49.89 -64.15 -42.26 0.18 0.00 99.82 0.03 0.01 0.10 99.82 0.04 0.00 0.00 0.00 44 I H H 15.87 19.47 20.04 39.32 91.57 49.46 -64.29 -42.79 0.13 0.00 99.86 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 45 R H H 66.20 17.03 21.89 37.57 91.33 51.56 -62.83 -42.32 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 46 K H H 103.31 5.19 26.20 31.37 91.71 49.76 -64.11 -41.38 0.08 0.00 99.92 0.01 0.00 0.05 99.94 0.01 0.00 0.00 0.00 47 S H H 22.81 13.25 23.35 36.90 91.82 49.89 -64.86 -42.02 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 48 I H H 9.62 22.27 21.45 43.27 91.35 50.11 -64.09 -42.70 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 49 A H H 31.84 11.13 24.24 35.74 91.36 51.42 -63.11 -41.46 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 50 R H H 99.60 7.89 26.31 34.55 91.69 50.70 -64.35 -41.68 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 51 I H H 13.09 20.55 21.56 41.99 91.62 50.20 -64.37 -42.86 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 52 L H H 38.56 16.69 22.92 38.73 91.68 50.28 -63.59 -41.63 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 53 T H H 54.50 7.03 24.48 31.55 91.59 50.25 -64.61 -41.85 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 54 V H H 33.91 11.57 22.46 34.58 91.77 48.89 -64.83 -42.64 0.52 0.00 99.48 0.03 0.02 0.37 99.49 0.08 0.00 0.00 0.00 55 L H H 19.61 18.13 19.25 37.35 92.12 49.10 -65.17 -41.97 3.36 0.00 96.64 0.26 0.21 2.58 96.75 0.20 0.00 0.00 0.00 56 N H H 56.22 10.50 20.69 31.36 92.47 50.60 -65.75 -39.12 17.29 0.04 82.67 2.84 1.06 11.96 83.63 0.48 0.00 0.01 0.03 57 R H H 116.56 5.40 21.37 26.96 92.32 51.91 -64.85 -41.11 3.85 0.01 96.14 0.93 0.48 2.16 95.66 0.76 0.00 0.00 0.01 58 N H H 63.00 8.07 20.28 28.69 92.63 48.65 -66.08 -40.39 2.82 0.01 97.18 0.77 0.30 1.54 96.64 0.73 0.00 0.00 0.00 59 Q H H 56.60 12.57 17.93 30.77 92.39 50.21 -64.83 -41.09 2.06 0.01 97.93 0.65 0.24 1.04 97.35 0.71 0.00 0.01 0.00 60 R H H 104.82 8.46 19.23 28.10 92.18 50.96 -64.09 -41.25 1.53 0.01 98.46 0.43 0.17 0.81 98.11 0.47 0.00 0.00 0.00 61 E H H 94.01 3.62 20.86 24.20 91.88 49.64 -64.86 -40.94 1.50 0.01 98.50 0.30 0.13 0.90 98.23 0.43 0.00 0.00 0.00 62 S H H 37.57 7.02 18.22 26.55 92.20 49.99 -65.36 -40.15 2.65 0.01 97.34 0.42 0.20 1.74 97.03 0.60 0.00 0.00 0.00 63 L H H 36.66 13.16 15.54 29.52 92.48 51.34 -65.30 -40.24 2.89 0.01 97.10 0.50 0.25 1.86 95.98 1.41 0.00 0.00 0.00 64 R H H 117.87 6.60 17.33 24.96 92.37 52.57 -64.40 -39.95 2.35 0.01 97.65 0.38 0.20 1.57 95.21 2.63 0.00 0.00 0.00 65 K H H 131.64 2.15 19.03 20.47 92.63 49.95 -66.38 -38.95 4.34 0.02 95.65 0.46 0.32 3.32 90.96 4.91 0.01 0.01 0.01 66 V H H 62.07 8.22 15.90 25.21 94.07 47.63 -71.49 -36.44 10.68 0.03 89.29 0.58 0.68 9.30 85.51 3.87 0.03 0.01 0.02 67 Y H H 61.38 12.77 12.27 25.80 99.73 41.45 -97.84 1.23 38.39 0.26 61.35 4.09 3.92 30.06 57.56 3.98 0.08 0.09 0.22 68 A C T 63.13 6.13 11.82 19.76 107.49 117.68 -66.04 126.14 76.54 0.48 22.98 5.71 4.95 64.15 20.53 4.03 0.02 0.19 0.42 69 G C T 59.28 1.50 14.02 15.48 99.04 21.40 78.48 -2.82 81.79 0.16 18.05 5.68 7.61 68.26 13.05 5.17 0.00 0.07 0.17 70 R C C 125.35 5.75 9.60 17.03 111.46 100.35 -87.79 129.45 74.86 0.69 24.45 37.91 20.11 17.22 14.42 9.45 0.00 0.24 0.64 71 R C C 162.45 2.89 11.55 15.68 100.69 -119.94 -76.81 -15.64 69.67 1.26 29.06 36.02 12.84 21.30 16.43 11.94 0.01 0.52 0.94 72 L C C 92.58 6.10 9.10 16.62 105.64 62.94 -90.23 56.77 69.51 0.91 29.58 42.28 11.49 16.04 16.40 12.76 0.00 0.39 0.64 73 R C C 155.26 3.68 10.64 16.02 100.66 68.25 -75.37 -11.57 60.18 0.90 38.93 35.27 9.16 15.81 16.22 22.54 0.00 0.41 0.58 74 L C C 121.97 2.72 11.42 15.44 101.29 58.88 -83.19 -6.94 61.21 0.72 38.06 25.18 11.88 24.38 14.14 23.57 0.01 0.32 0.53 75 A C C 64.66 5.74 11.45 18.66 112.08 74.47 -94.75 123.20 66.94 1.09 31.98 31.34 15.85 20.39 10.93 20.23 0.01 0.46 0.79 76 M C C 97.39 7.43 13.19 22.06 116.78 -134.20 -91.36 135.04 93.61 1.12 5.27 54.04 37.49 2.36 3.37 1.58 0.00 0.38 0.78 77 P C C 46.01 13.18 11.61 25.33 112.27 -107.61 -66.04 145.42 85.53 1.62 12.85 79.05 3.52 4.15 5.44 6.14 0.00 0.77 0.93 78 K C G 136.16 4.73 15.72 21.67 98.25 -132.71 -72.42 -25.24 59.22 1.68 39.10 26.84 12.69 20.19 6.51 32.09 0.01 0.84 0.84 79 A C G 63.29 6.78 15.88 23.46 100.78 58.70 -86.73 -4.03 57.68 2.19 40.12 21.80 13.30 23.93 5.83 33.04 0.02 1.16 0.92 80 L C C 58.62 14.63 13.45 27.75 105.93 77.58 -85.55 67.14 63.40 1.92 34.67 34.22 15.80 13.60 5.54 28.88 0.01 0.92 1.03 81 R C C 76.15 14.36 13.19 27.46 117.95 96.98 -86.30 141.03 96.33 1.01 2.67 49.01 45.91 1.45 1.96 0.61 0.00 0.31 0.73 82 P C C 52.78 7.80 15.08 24.55 114.25 -103.70 -65.91 150.40 92.17 0.69 7.14 86.51 3.60 1.82 6.68 0.67 0.00 0.21 0.51 83 K H H 136.94 3.43 14.92 19.85 91.88 -112.75 -58.62 -38.20 8.97 0.07 90.96 3.21 2.03 4.02 88.96 1.71 0.01 0.02 0.03 84 L H H 89.42 4.29 17.23 22.16 92.03 53.84 -65.27 -38.68 6.24 0.05 93.71 1.56 0.93 3.69 91.79 1.97 0.01 0.02 0.02 85 T H H 21.50 13.89 13.89 28.88 92.80 49.99 -66.25 -39.55 3.85 0.05 96.10 1.48 0.58 1.83 94.32 1.75 0.00 0.03 0.01 86 R H H 90.22 10.15 16.49 27.34 91.94 53.30 -63.32 -41.29 1.44 0.02 98.55 0.55 0.20 0.59 98.16 0.47 0.00 0.01 0.00 87 R H H 126.14 2.84 20.05 22.53 91.84 50.87 -64.31 -41.30 1.01 0.01 98.98 0.33 0.11 0.47 98.76 0.32 0.00 0.01 0.00 88 R H H 92.73 8.81 18.67 28.04 92.24 49.43 -65.68 -40.71 0.75 0.01 99.24 0.20 0.08 0.38 99.01 0.32 0.00 0.00 0.00 89 R H H 61.28 15.53 15.75 31.01 92.05 51.42 -64.47 -40.53 0.96 0.01 99.03 0.19 0.09 0.56 98.72 0.43 0.00 0.00 0.00 90 L H H 81.76 5.42 19.30 25.47 91.83 52.28 -65.26 -37.22 2.31 0.01 97.68 0.29 0.18 1.63 96.90 0.99 0.01 0.00 0.00 91 A H H 54.89 4.53 18.84 23.91 92.34 53.61 -68.16 -32.28 8.88 0.02 91.10 0.67 0.58 7.25 90.07 1.42 0.01 0.01 0.01 92 L H H 39.22 15.04 13.03 28.25 97.47 56.41 -79.50 -13.49 31.16 0.18 68.66 4.87 3.60 22.35 66.79 2.19 0.03 0.07 0.11 93 K H H 86.91 7.96 15.19 24.04 111.98 90.44 -78.96 156.64 34.48 0.41 65.11 21.07 6.55 7.47 61.80 2.74 0.01 0.14 0.23 94 D H H 100.99 2.25 16.13 18.39 94.38 -83.47 -65.61 -34.43 17.89 0.19 81.91 7.15 3.20 8.24 75.72 5.49 0.02 0.10 0.09 95 N H H 75.93 5.20 14.30 20.91 93.37 55.02 -68.36 -34.44 15.57 0.17 84.27 5.67 2.54 7.77 76.88 6.95 0.02 0.09 0.07 96 E H H 62.75 12.67 11.65 24.65 93.51 54.95 -67.20 -36.25 13.37 0.16 86.47 5.12 2.18 6.18 77.58 8.78 0.02 0.09 0.06 97 K H H 130.13 4.02 14.83 20.14 92.64 56.83 -67.05 -30.61 20.77 0.17 79.06 4.93 3.13 12.54 71.55 7.64 0.04 0.08 0.09 98 N H H 114.78 1.86 15.42 17.22 95.62 53.26 -85.53 -4.51 44.05 0.33 55.61 11.23 6.64 26.90 48.96 5.89 0.04 0.14 0.22 99 R C C 106.34 9.68 11.05 21.68 107.16 92.97 -80.96 101.62 69.61 1.30 29.09 43.72 12.82 12.43 26.35 3.42 0.01 0.50 0.76 100 K C C 97.13 9.10 11.56 21.75 117.68 112.66 -91.80 141.94 83.78 2.10 14.12 64.68 13.27 4.06 14.56 1.37 0.00 0.73 1.33 101 T C C 57.50 5.42 13.07 20.17 119.72 -125.01 -79.40 163.15 87.52 1.32 11.16 80.84 3.72 1.77 11.88 0.62 0.00 0.46 0.71 102 R H H 163.81 2.10 13.77 16.83 92.26 -106.30 -59.70 -37.93 4.86 0.03 95.11 1.88 0.97 1.87 94.57 0.69 0.00 0.01 0.01 103 R H H 139.84 2.71 14.71 18.27 92.08 52.46 -64.44 -40.46 2.77 0.02 97.22 0.74 0.37 1.47 96.64 0.76 0.00 0.01 0.00 104 Q H H 63.25 8.81 13.03 23.32 92.33 49.45 -66.11 -39.83 1.60 0.01 98.39 0.49 0.20 0.80 97.66 0.84 0.00 0.01 0.00 105 L H H 73.49 5.18 14.94 21.62 92.00 50.98 -64.04 -41.72 1.19 0.01 98.80 0.33 0.13 0.60 98.41 0.53 0.00 0.00 0.00 106 R H H 121.87 2.32 16.92 19.06 91.89 49.88 -64.66 -41.22 1.72 0.01 98.27 0.37 0.16 1.01 97.87 0.57 0.00 0.00 0.00 107 M H H 66.01 7.65 13.91 23.24 92.31 50.44 -65.65 -39.02 2.14 0.01 97.85 0.40 0.20 1.33 97.17 0.89 0.00 0.00 0.00 108 A H H 42.11 10.57 12.31 23.91 92.23 53.91 -66.62 -33.53 4.75 0.01 95.24 0.55 0.37 3.54 93.55 1.97 0.00 0.00 0.00 109 R H H 163.56 1.87 16.37 18.30 93.87 50.63 -71.09 -31.13 15.25 0.02 84.74 0.69 0.89 13.45 83.03 1.91 0.01 0.01 0.01 110 K H H 127.17 3.31 15.43 19.08 98.33 42.36 -86.91 -25.26 26.23 0.06 73.71 1.52 3.26 21.44 72.35 1.32 0.04 0.02 0.05 111 F C S 74.53 11.79 10.64 23.05 113.17 40.04 -119.97 95.79 98.13 0.44 1.43 28.03 68.54 1.53 1.22 0.23 0.00 0.12 0.34 112 P C C 71.00 6.58 14.12 22.18 114.13 -148.64 -70.12 147.49 95.73 0.67 3.60 78.19 9.34 8.29 1.12 2.37 0.00 0.36 0.33 113 R C C 140.65 7.22 13.79 22.15 113.48 -114.56 -81.70 135.36 90.49 3.99 5.52 67.31 14.61 8.47 1.82 3.77 0.00 2.09 1.93 114 R C C 108.46 11.15 11.73 23.41 114.36 -135.85 -86.61 133.69 90.81 5.57 3.62 76.90 9.96 3.98 1.31 2.22 0.00 3.81 1.84 115 V C C 94.19 6.18 15.46 22.48 103.19 -170.24 -93.98 -16.79 88.38 7.66 3.96 66.38 16.43 5.72 1.41 2.49 0.00 5.97 1.60 116 Y C C 104.21 9.75 13.35 23.84 122.13 38.56 -117.22 140.73 80.91 14.58 4.52 61.00 12.74 7.16 1.51 2.92 0.00 12.15 2.52 117 A C C 51.17 10.48 12.18 23.38 119.93 -161.56 -107.81 139.86 76.67 19.59 3.74 63.14 8.37 4.55 1.54 2.12 0.00 17.35 2.93 118 V C C 76.14 9.12 11.32 21.54 115.58 -140.19 -97.46 130.05 82.11 16.19 1.70 79.33 1.25 1.88 0.74 0.65 0.00 13.35 2.79 119 K C C 142.99 3.89 14.77 20.20 112.15 -136.33 -89.07 128.93 99.83 0.16 0.01 99.81 0.06 0.02 0.00 0.00 0.00 0.11 0.01