# 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 M C C 101.21 7.42 11.08 19.87 116.96 -150.18 -90.97 136.82 99.95 0.05 0.00 99.73 0.22 0.02 0.00 0.00 0.00 0.02 0.01 1 P C C 86.36 4.60 10.45 16.78 112.17 -107.99 -67.74 148.38 94.35 0.62 5.04 89.15 1.03 4.95 2.28 1.95 0.00 0.28 0.36 2 S C C 83.83 2.66 9.58 13.86 109.63 -125.19 -82.97 124.07 85.64 2.00 12.36 53.84 13.38 18.75 5.87 5.93 0.00 0.89 1.33 3 G C C 49.59 3.52 10.07 14.95 107.89 23.82 -74.47 15.30 77.91 1.40 20.68 37.71 22.25 18.84 12.25 7.44 0.01 0.57 0.93 4 N C C 97.50 3.87 9.70 15.02 103.38 64.58 -80.91 6.54 59.32 1.08 39.59 38.48 13.81 8.03 32.34 6.28 0.01 0.43 0.62 5 E H H 123.97 2.73 11.17 15.07 97.41 63.98 -70.80 -31.89 32.47 0.68 66.86 16.25 7.45 10.80 58.13 6.70 0.03 0.33 0.30 6 E H H 113.36 3.31 12.26 16.73 94.83 57.52 -68.94 -35.08 26.00 0.68 73.32 14.40 4.86 8.39 65.57 6.13 0.03 0.38 0.25 7 I H H 86.76 5.13 11.61 18.30 94.77 53.91 -69.41 -36.81 19.83 0.63 79.54 12.20 4.13 5.31 72.91 4.87 0.02 0.34 0.21 8 N H H 95.25 3.12 13.90 17.86 94.80 53.38 -69.45 -34.35 22.48 0.63 76.89 14.83 3.76 5.33 72.18 3.35 0.01 0.34 0.20 9 H H H 110.43 3.24 14.09 18.10 94.77 52.36 -69.91 -36.88 20.88 0.60 78.52 13.65 3.77 4.94 74.14 2.99 0.01 0.32 0.19 10 L H H 80.87 5.59 13.13 20.08 93.98 54.27 -67.24 -39.33 16.94 0.52 82.54 10.70 3.02 4.57 78.12 3.13 0.01 0.28 0.16 11 S H H 59.01 3.79 14.30 19.19 93.58 53.07 -66.83 -37.77 19.51 0.54 79.95 11.48 2.82 6.36 75.06 3.77 0.01 0.31 0.18 12 A H H 56.99 3.42 13.92 18.28 93.78 52.55 -66.76 -38.22 17.94 0.57 81.50 8.48 2.99 7.71 74.26 5.95 0.05 0.35 0.21 13 L H H 85.04 5.18 13.30 19.47 94.27 51.46 -68.87 -36.34 18.70 1.12 80.18 8.14 3.72 8.44 71.55 6.94 0.12 0.70 0.39 14 D H H 78.09 5.51 12.82 19.65 94.01 55.39 -70.29 -30.57 26.69 1.35 71.97 12.52 4.86 11.31 63.87 6.07 0.08 0.80 0.49 15 Q H H 118.80 2.60 14.13 17.32 97.87 53.51 -76.06 -28.23 35.49 1.71 62.80 14.07 8.00 15.73 54.96 5.53 0.13 0.99 0.61 16 F H H 125.05 3.91 12.76 17.60 100.17 47.42 -85.66 -24.01 42.70 4.29 53.01 17.02 9.80 18.37 45.75 4.75 0.26 2.75 1.30 17 V C H 80.36 5.98 11.26 18.42 102.33 51.03 -85.31 -28.18 48.09 8.02 43.90 20.13 14.44 15.95 37.90 3.94 0.44 4.70 2.49 18 A C H 62.67 4.35 11.19 17.01 105.38 58.53 -84.28 57.47 57.18 4.08 38.74 23.75 18.38 16.70 31.31 5.96 0.18 2.27 1.45 19 P C T 94.54 2.65 12.78 16.22 100.00 40.19 -71.76 -9.30 59.08 1.10 39.82 13.58 10.58 34.94 30.89 8.72 0.11 0.56 0.63 20 G C H 46.05 3.52 13.04 17.60 101.15 34.82 -29.04 -26.00 54.61 0.96 44.43 14.99 10.39 29.84 34.04 9.60 0.11 0.45 0.58 21 L H H 93.26 4.93 10.95 17.39 101.07 64.33 -77.95 -21.86 46.28 2.35 51.36 25.41 9.17 13.41 43.00 6.77 0.06 1.25 0.94 22 R H H 130.11 3.81 12.98 17.98 97.91 76.29 -71.58 -33.42 35.93 4.07 60.00 23.48 5.72 8.54 55.23 3.34 0.05 2.43 1.21 23 L H H 96.63 3.32 13.55 17.76 94.09 56.04 -66.15 -39.47 5.90 0.29 93.81 3.48 0.88 1.63 93.06 0.70 0.00 0.19 0.05 24 W H H 143.51 3.30 14.37 18.42 93.13 51.93 -66.17 -39.72 1.19 0.03 98.78 0.48 0.14 0.53 98.46 0.36 0.00 0.02 0.00 25 M H H 91.21 4.22 14.63 19.95 92.79 51.49 -65.78 -40.49 0.48 0.01 99.52 0.16 0.05 0.23 99.31 0.24 0.00 0.01 0.00 26 L H H 86.54 3.40 15.68 19.66 92.60 50.32 -65.21 -41.61 0.24 0.00 99.76 0.06 0.02 0.13 99.68 0.11 0.00 0.00 0.00 27 I H H 87.84 3.51 16.05 20.10 92.30 50.05 -65.10 -41.51 0.17 0.00 99.82 0.04 0.01 0.10 99.79 0.06 0.00 0.00 0.00 28 A H H 54.43 4.21 15.45 20.65 92.03 50.93 -64.63 -41.31 0.23 0.00 99.77 0.03 0.01 0.15 99.74 0.06 0.00 0.00 0.00 29 L H H 93.56 2.84 16.89 19.73 92.17 49.83 -65.20 -41.57 0.46 0.00 99.54 0.04 0.02 0.34 99.49 0.10 0.00 0.00 0.00 30 V H H 80.29 2.96 17.06 19.90 92.21 48.64 -65.37 -41.57 1.02 0.00 98.98 0.09 0.05 0.77 98.93 0.16 0.00 0.00 0.00 31 G H H 32.12 4.50 15.61 21.22 92.01 50.50 -65.21 -40.91 3.03 0.01 96.96 0.25 0.17 2.31 96.94 0.31 0.00 0.00 0.00 32 G H H 34.27 4.16 15.71 20.87 92.19 51.56 -64.25 -40.92 5.95 0.01 94.04 0.37 0.31 4.85 94.03 0.42 0.00 0.00 0.00 33 V H H 85.34 2.36 17.22 19.19 92.34 50.24 -65.35 -41.10 2.74 0.00 97.26 0.28 0.21 1.94 97.27 0.30 0.00 0.00 0.00 34 L H H 87.97 3.27 16.45 19.85 92.28 50.20 -65.13 -41.36 0.64 0.00 99.35 0.13 0.05 0.35 99.37 0.10 0.00 0.00 0.00 35 L H H 79.04 5.48 15.42 21.68 92.30 50.49 -65.00 -41.15 0.26 0.00 99.74 0.05 0.01 0.14 99.74 0.05 0.00 0.00 0.00 36 I H H 89.55 3.65 16.30 20.44 92.23 50.04 -64.88 -41.31 0.11 0.00 99.88 0.02 0.00 0.06 99.89 0.02 0.00 0.00 0.00 37 M H H 104.38 2.35 17.27 19.23 92.21 50.02 -65.35 -41.30 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 38 I H H 82.73 4.76 16.29 21.47 92.41 49.09 -65.54 -42.09 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 39 V H H 66.29 6.41 15.57 22.71 92.23 49.29 -64.87 -42.25 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 40 I H H 90.36 3.16 16.81 20.27 92.03 49.54 -64.24 -41.72 0.09 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 41 V H H 77.86 2.66 16.93 19.44 92.29 49.68 -65.01 -41.76 0.19 0.00 99.81 0.01 0.01 0.15 99.72 0.11 0.00 0.00 0.00 42 C H H 49.17 5.77 14.07 21.32 92.16 50.43 -64.78 -40.91 0.75 0.01 99.25 0.04 0.03 0.62 98.93 0.37 0.00 0.00 0.00 43 C H H 57.55 5.31 12.95 19.76 92.70 51.17 -66.24 -38.72 4.54 0.05 95.41 0.16 0.19 4.19 94.38 1.02 0.02 0.03 0.01 44 F H H 137.26 1.95 13.53 15.72 93.03 51.24 -68.97 -34.57 12.37 0.25 87.38 0.59 0.84 11.03 85.86 1.35 0.11 0.15 0.07 45 M H H 122.08 2.20 12.03 14.76 96.33 51.10 -82.28 -17.26 38.90 2.52 58.57 5.27 6.18 27.94 55.69 2.35 0.29 1.49 0.80 46 R C T 168.60 2.70 11.57 15.13 99.22 51.51 -72.98 19.01 65.73 2.97 31.30 15.04 9.55 40.01 29.03 3.53 0.10 1.78 0.95 47 I C C 110.69 3.67 9.92 15.15 108.24 93.02 -92.99 76.65 72.62 10.27 17.12 36.81 16.48 19.59 13.70 3.81 0.10 7.11 2.40 48 R C C 163.22 2.77 11.42 15.57 112.04 57.88 -92.25 122.55 74.29 16.99 8.72 50.55 13.10 10.05 6.47 2.86 0.04 12.58 4.36 49 I C C 96.01 5.99 10.42 18.31 116.80 -147.46 -100.72 127.94 84.08 13.75 2.17 61.85 20.51 1.91 1.74 0.71 0.01 10.83 2.45 50 P C C 76.81 5.62 11.75 19.12 112.57 -110.59 -67.31 143.16 86.87 9.92 3.21 78.82 5.19 2.48 2.13 1.07 0.00 8.61 1.71 51 R C C 141.26 5.58 10.70 18.00 109.97 -156.54 -95.33 98.04 86.43 7.80 5.77 64.84 17.44 3.73 4.67 1.56 0.00 4.34 3.42 52 T C C 70.26 3.09 12.87 16.89 120.08 -143.76 -95.56 162.24 81.44 6.89 11.68 59.53 17.94 3.46 11.18 1.69 0.01 3.02 3.17 53 K H H 142.97 2.93 11.22 15.62 92.89 -111.95 -61.73 -37.10 12.66 0.25 87.09 6.50 2.99 3.82 84.43 2.04 0.01 0.12 0.08 54 R H H 163.45 1.14 13.74 14.47 92.07 53.42 -64.81 -39.79 6.98 0.15 92.87 3.11 1.21 2.95 90.48 2.11 0.01 0.09 0.04 55 Q H H 90.41 3.75 13.64 18.61 92.58 50.11 -66.45 -39.22 5.04 0.16 94.79 2.68 0.77 1.91 92.13 2.35 0.00 0.11 0.04 56 I H H 69.09 6.08 12.80 20.33 92.21 50.38 -64.97 -41.17 2.95 0.08 96.97 1.57 0.45 1.07 95.75 1.10 0.00 0.05 0.02 57 D H H 81.01 2.60 16.29 19.04 91.95 50.68 -64.52 -40.67 2.77 0.06 97.17 1.39 0.37 1.05 96.58 0.57 0.00 0.03 0.01 58 L H H 83.33 2.51 16.33 18.96 92.01 50.64 -64.65 -41.41 2.26 0.04 97.70 1.05 0.29 0.89 97.34 0.40 0.00 0.02 0.01 59 I H H 76.47 4.21 16.23 21.43 91.97 49.84 -64.79 -41.48 1.63 0.02 98.35 0.75 0.19 0.64 98.11 0.29 0.00 0.01 0.01 60 A H H 44.54 4.64 15.42 21.34 91.95 50.56 -64.00 -41.54 1.23 0.01 98.76 0.52 0.13 0.52 98.60 0.22 0.00 0.00 0.00 61 A H H 55.35 2.43 16.56 19.09 91.71 50.24 -64.19 -41.42 1.00 0.01 98.99 0.38 0.11 0.44 98.89 0.17 0.00 0.00 0.00 62 K H H 114.77 2.25 16.36 18.62 91.93 50.41 -65.19 -40.56 0.99 0.01 99.00 0.35 0.10 0.46 98.94 0.14 0.00 0.00 0.00 63 R H H 121.13 3.49 15.48 19.70 91.91 50.61 -64.96 -40.32 1.05 0.01 98.94 0.37 0.11 0.48 98.91 0.13 0.00 0.00 0.00 64 K H H 118.66 2.29 16.26 18.51 91.93 50.76 -64.19 -40.98 0.89 0.00 99.11 0.28 0.08 0.43 99.08 0.12 0.00 0.00 0.00 65 L H H 92.67 1.89 16.18 17.63 91.87 49.97 -64.44 -41.61 0.86 0.01 99.14 0.24 0.08 0.43 99.12 0.14 0.00 0.00 0.00 66 R H H 122.15 2.68 15.48 18.56 91.96 49.74 -64.71 -40.99 0.99 0.00 99.00 0.26 0.09 0.51 98.99 0.15 0.00 0.00 0.00 67 K H H 111.41 2.75 15.48 18.66 92.00 50.29 -64.94 -40.91 1.16 0.01 98.83 0.28 0.12 0.63 98.81 0.16 0.00 0.00 0.00 68 S H H 60.48 1.97 16.14 17.69 91.83 50.31 -64.43 -41.43 1.57 0.01 98.42 0.37 0.17 0.87 98.39 0.20 0.00 0.00 0.00 69 T H H 74.93 2.28 15.61 17.92 92.20 49.41 -65.20 -40.94 1.68 0.01 98.31 0.47 0.20 0.86 98.22 0.25 0.00 0.00 0.00 70 K H H 109.61 2.99 14.89 18.47 92.12 50.60 -65.00 -40.78 1.50 0.01 98.50 0.38 0.17 0.80 98.32 0.32 0.00 0.00 0.00 71 N H H 92.39 1.92 15.44 17.18 92.12 50.19 -65.14 -40.33 2.20 0.01 97.79 0.52 0.24 1.27 97.47 0.49 0.00 0.01 0.00 72 S H H 63.18 1.97 15.29 17.05 92.45 50.73 -65.20 -40.69 3.42 0.03 96.56 0.80 0.42 2.02 96.05 0.67 0.01 0.01 0.01 73 A H H 54.57 3.55 13.40 18.08 92.81 50.92 -65.72 -39.67 6.23 0.06 93.71 1.81 0.92 3.41 92.81 0.99 0.01 0.03 0.02 74 E H H 116.69 2.29 14.26 16.87 93.05 50.74 -66.94 -37.37 13.19 0.16 86.65 5.40 2.08 5.79 85.08 1.50 0.01 0.07 0.06 75 A H H 68.71 2.00 13.38 15.63 93.99 52.92 -68.62 -35.05 23.00 0.25 76.74 9.80 3.80 9.22 75.21 1.75 0.01 0.10 0.11 76 N H H 94.84 2.82 12.08 15.84 98.45 53.38 -80.52 -18.43 35.87 0.34 63.79 20.16 5.01 10.39 61.89 2.24 0.00 0.14 0.17 77 A H H 67.06 3.15 11.31 15.86 96.53 73.99 -67.68 -35.60 34.73 0.42 64.85 20.08 5.62 9.36 60.99 3.57 0.01 0.18 0.19 78 H H H 132.84 1.89 12.59 14.88 96.50 53.48 -72.92 -30.25 40.20 0.49 59.32 24.23 5.92 10.31 55.23 3.86 0.00 0.22 0.23 79 N H H 98.08 2.88 12.03 15.99 97.31 58.38 -73.24 -30.43 42.14 0.42 57.45 27.65 5.73 8.44 54.39 3.42 0.00 0.17 0.19 80 D H H 81.78 4.07 11.98 17.41 96.54 68.06 -70.92 -33.48 39.23 0.29 60.48 26.97 4.68 6.77 58.84 2.50 0.00 0.12 0.13 81 E H H 121.22 2.31 13.39 16.34 93.90 58.64 -66.20 -37.80 17.09 0.17 82.74 10.17 2.50 4.59 80.44 2.16 0.00 0.08 0.06 82 R H H 142.06 1.95 14.65 16.62 92.99 52.09 -66.28 -40.07 7.50 0.10 92.41 3.87 1.13 2.71 90.42 1.77 0.00 0.05 0.03 83 A H H 48.16 4.24 13.71 19.45 92.35 51.48 -64.22 -40.86 4.32 0.06 95.61 2.16 0.61 1.65 94.11 1.40 0.00 0.04 0.02 84 Q H H 90.66 4.08 14.52 19.78 92.18 51.22 -64.97 -40.11 3.63 0.06 96.31 1.71 0.51 1.49 95.14 1.09 0.00 0.04 0.01 85 A H H 53.43 2.97 14.83 18.66 91.76 51.59 -64.50 -41.01 3.32 0.08 96.61 1.55 0.47 1.43 95.53 0.96 0.00 0.05 0.02 86 I H H 89.40 2.64 15.00 18.07 92.27 50.51 -65.28 -41.50 3.12 0.11 96.78 1.38 0.44 1.44 95.53 1.10 0.01 0.06 0.02 87 V H H 76.65 4.22 13.69 19.11 92.50 49.57 -65.88 -40.32 3.97 0.13 95.90 1.55 0.51 1.98 94.34 1.49 0.01 0.09 0.03 88 M H H 108.30 4.08 13.00 18.43 92.73 52.12 -67.78 -33.68 7.72 0.16 92.12 2.10 0.94 4.69 89.63 2.46 0.02 0.10 0.05 89 N H H 118.54 1.67 13.49 15.46 94.36 54.65 -77.59 -16.96 25.80 0.25 73.96 3.96 2.79 19.14 71.38 2.46 0.05 0.11 0.13 90 S C H 77.37 2.85 12.25 16.08 98.91 59.66 -86.31 -2.72 54.45 0.63 44.92 9.36 8.54 36.34 42.12 2.95 0.06 0.26 0.36 91 M C S 96.63 6.67 8.63 16.98 115.91 101.24 -86.09 138.52 94.85 0.99 4.16 27.26 64.23 3.34 3.55 0.63 0.00 0.32 0.67 92 P C C 94.07 3.45 10.97 16.13 112.15 -108.60 -68.59 144.71 93.86 1.38 4.75 81.52 6.53 5.97 2.56 1.91 0.00 0.68 0.85 93 S C C 89.57 2.35 10.13 14.25 108.39 -121.03 -81.19 120.82 89.03 3.16 7.80 56.39 15.59 17.02 2.56 5.05 0.00 1.44 1.96 94 G C C 57.23 2.48 9.92 13.90 108.14 -82.13 53.92 53.01 90.40 2.59 7.02 42.96 23.62 23.89 1.50 5.50 0.00 1.21 1.32 95 G C C 55.97 2.73 9.75 13.97 109.75 -78.31 -96.10 94.44 90.62 2.76 6.62 47.81 23.26 19.26 1.24 5.68 0.00 1.30 1.46 96 G C C 54.98 2.99 9.24 13.92 113.38 -117.66 -99.63 149.67 90.13 2.89 6.98 45.15 24.40 20.33 1.21 6.07 0.00 1.36 1.49 97 G C C 59.06 1.96 10.01 13.28 110.68 -119.08 -84.00 84.60 91.72 2.64 5.64 37.48 29.77 24.27 0.80 5.20 0.00 1.29 1.18 98 G C C 59.95 1.80 10.00 13.01 110.09 -56.15 -86.76 115.59 93.64 2.73 3.63 44.57 33.58 15.29 0.57 3.38 0.00 1.37 1.25 99 A C C 78.00 3.11 8.75 13.82 117.50 -132.51 -93.17 139.09 95.61 3.35 1.04 62.15 32.80 1.14 0.49 0.49 0.00 1.45 1.48 100 P C C 99.98 3.14 9.80 14.85 113.39 -104.46 -69.15 147.63 93.67 3.76 2.58 83.44 7.23 2.93 1.15 1.31 0.00 1.95 1.99 101 S C C 80.20 3.64 8.39 14.03 114.50 -117.41 -85.11 140.16 91.21 4.32 4.47 79.25 7.65 4.11 2.27 2.08 0.00 2.15 2.49 102 T C C 110.00 1.92 8.86 12.41 107.08 -141.68 -88.47 94.58 84.29 3.92 11.78 55.61 16.92 11.71 6.90 4.87 0.00 2.03 1.95 103 S C C 82.75 2.47 8.52 12.72 112.22 -156.94 -91.21 130.62 76.60 3.19 20.22 43.41 19.25 14.42 12.78 7.01 0.01 1.55 1.57 104 S C C 86.10 2.33 8.71 12.68 110.34 -143.46 -89.85 127.76 68.89 2.55 28.56 39.44 18.15 12.04 19.26 8.64 0.02 1.30 1.16 105 S C C 81.41 3.03 8.76 13.57 112.39 -132.88 -91.16 127.94 66.07 3.40 30.53 45.11 11.47 9.53 22.57 8.04 0.01 1.98 1.28 106 R C C 163.73 2.70 9.31 13.78 114.27 -156.14 -97.56 127.22 61.41 5.36 33.23 44.16 9.84 7.56 26.83 6.51 0.02 3.34 1.75 107 H C C 130.93 3.59 9.24 14.64 114.66 -152.01 -96.70 130.10 60.09 5.93 33.98 45.95 8.19 5.99 30.01 4.28 0.01 3.85 1.71 108 T C H 91.77 3.87 9.83 15.38 112.37 -157.80 -95.19 122.73 52.22 3.90 43.89 37.03 7.52 7.91 39.98 3.95 0.02 2.59 1.01 109 G C H 46.40 4.20 10.77 16.33 110.81 27.73 -76.25 -34.66 49.44 2.50 48.06 29.79 10.04 10.63 42.58 4.70 0.03 1.51 0.72 110 S H H 75.38 3.27 10.48 15.16 109.94 -111.08 -86.44 131.80 43.31 2.84 53.85 28.35 8.04 8.23 47.44 5.33 0.03 1.85 0.73 111 R H H 149.91 3.30 9.96 14.85 110.28 -137.30 -87.22 117.48 36.65 4.45 58.90 25.60 6.16 6.76 51.48 5.80 0.04 3.23 0.95 112 I H H 109.53 4.05 8.87 14.53 109.24 -132.33 -85.33 115.16 30.19 5.03 64.78 20.97 5.02 6.23 54.41 8.37 0.04 4.02 0.95 113 Q H H 130.74 2.40 9.43 13.31 105.92 -140.23 -84.12 81.04 34.45 3.73 61.81 20.82 5.80 9.65 50.13 9.89 0.07 2.73 0.92 114 S C H 81.93 2.67 8.26 12.58 106.94 60.64 -89.19 81.58 48.49 3.32 48.18 24.65 7.44 17.68 37.87 9.09 0.07 2.13 1.06 115 Q C C 134.87 2.13 8.42 12.20 108.18 76.81 -88.86 99.19 68.35 2.41 29.25 48.38 2.51 17.41 24.76 4.47 0.00 1.42 1.05 116 V C C 101.16 4.43 9.23 15.41 110.49 -156.42 -93.73 114.41 99.89 0.07 0.03 99.78 0.09 0.06 0.02 0.00 0.00 0.04 0.01