# 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 51.91 7.97 16.96 25.59 102.33 59.90 -74.96 -19.19 99.75 0.04 0.21 99.65 0.07 0.10 0.15 0.01 0.00 0.01 0.01 1 R H H 102.19 10.78 13.55 24.69 95.82 69.90 -68.85 -34.69 38.86 0.35 60.79 31.99 1.39 6.10 57.39 2.80 0.00 0.16 0.17 2 R H H 126.31 6.85 14.47 22.46 94.29 58.75 -67.78 -37.55 24.29 0.34 75.37 14.28 3.96 7.35 69.44 4.65 0.01 0.17 0.14 3 L H H 94.77 2.93 17.14 20.18 93.65 53.67 -66.67 -39.86 16.23 0.26 83.51 9.15 2.82 5.30 76.77 5.71 0.01 0.14 0.09 4 A H H 47.49 6.28 17.93 25.22 93.70 51.21 -66.64 -38.85 15.23 0.25 84.52 9.18 2.30 4.72 79.51 4.05 0.01 0.13 0.10 5 L H H 20.79 18.58 14.19 32.68 92.80 51.60 -65.79 -40.92 8.46 0.09 91.44 4.48 1.47 3.00 88.92 2.04 0.01 0.04 0.04 6 E H H 94.29 6.39 20.00 27.13 91.65 52.35 -63.22 -41.45 3.98 0.03 95.99 1.59 0.56 1.82 94.82 1.18 0.00 0.01 0.01 7 D H H 83.34 2.49 22.76 24.04 91.94 49.45 -65.44 -40.37 4.71 0.03 95.26 1.43 0.58 2.62 94.23 1.12 0.01 0.01 0.01 8 N H H 29.74 15.33 18.29 33.82 92.09 50.18 -65.27 -40.53 5.09 0.03 94.89 1.64 0.56 2.75 94.14 0.89 0.01 0.01 0.01 9 W H H 52.19 17.15 18.40 35.08 91.91 51.53 -64.03 -41.09 2.35 0.01 97.64 0.83 0.33 1.07 97.31 0.45 0.00 0.00 0.00 10 E H H 109.13 2.72 24.24 26.10 91.53 51.03 -63.97 -41.31 2.10 0.01 97.89 0.64 0.24 1.10 97.56 0.46 0.00 0.00 0.00 11 T H H 51.34 7.49 22.17 30.21 91.72 49.13 -64.84 -41.68 2.57 0.01 97.41 0.57 0.28 1.55 97.11 0.48 0.00 0.01 0.00 12 L H H 10.69 22.14 16.98 39.05 91.70 50.36 -64.46 -42.24 2.14 0.01 97.85 0.54 0.27 1.14 97.68 0.35 0.00 0.00 0.00 13 N H H 67.33 9.32 22.48 32.00 91.49 51.34 -63.35 -41.22 2.28 0.01 97.71 0.53 0.21 1.29 97.64 0.32 0.00 0.00 0.00 14 D H H 80.57 2.75 25.03 26.63 91.66 49.85 -65.06 -40.62 2.07 0.00 97.93 0.37 0.20 1.31 97.78 0.34 0.00 0.00 0.00 15 N H H 24.01 16.91 19.64 36.44 92.24 50.48 -65.09 -41.05 2.26 0.01 97.74 0.45 0.21 1.38 97.55 0.40 0.00 0.00 0.00 16 L H H 28.00 18.69 19.11 37.17 91.85 51.75 -63.70 -40.54 1.60 0.00 98.40 0.31 0.14 0.98 98.06 0.51 0.00 0.00 0.00 17 K H H 117.85 2.72 25.02 26.96 91.55 51.69 -63.95 -41.26 1.89 0.01 98.10 0.33 0.17 1.26 97.26 0.96 0.00 0.00 0.00 18 V H H 44.92 8.42 21.28 30.71 92.02 49.89 -64.96 -41.72 2.45 0.01 97.53 0.39 0.22 1.74 95.00 2.63 0.01 0.01 0.00 19 I H H 8.40 23.51 14.42 37.92 91.41 51.07 -64.29 -40.47 2.51 0.01 97.48 0.34 0.22 1.79 90.96 6.68 0.00 0.01 0.00 20 E H H 101.56 9.34 19.83 29.63 90.88 55.10 -66.68 -27.85 15.66 0.02 84.31 0.70 0.67 14.15 77.87 6.57 0.01 0.01 0.01 21 K H H 143.67 1.80 21.57 22.36 94.67 50.50 -90.04 -8.72 48.71 0.04 51.25 2.02 2.10 44.20 46.68 4.94 0.01 0.01 0.04 22 A C C 18.84 18.64 8.21 25.91 117.42 108.59 -76.62 141.34 98.28 0.22 1.50 92.01 4.41 1.82 1.25 0.22 0.00 0.05 0.24 23 D C C 122.00 1.42 19.08 20.04 98.69 -170.21 -99.50 -13.03 99.46 0.17 0.37 62.63 35.44 1.39 0.22 0.11 0.00 0.05 0.15 24 N C S 77.21 3.58 21.23 24.69 134.05 31.32 -138.48 157.42 98.23 1.04 0.73 22.59 74.99 0.55 0.65 0.07 0.00 0.14 1.01 25 A H H 40.28 16.05 13.17 28.92 91.91 -114.00 -60.91 -36.84 3.85 0.00 96.14 0.55 0.85 2.22 95.53 0.84 0.00 0.00 0.00 26 A H H 69.50 2.26 20.97 22.50 91.50 55.10 -63.27 -40.56 2.41 0.00 97.59 0.30 0.26 1.64 96.76 1.04 0.00 0.00 0.00 27 Q H H 77.27 6.06 19.96 26.73 91.97 49.25 -65.87 -39.50 0.91 0.00 99.08 0.25 0.10 0.47 98.22 0.95 0.00 0.00 0.00 28 V H H 6.67 23.18 14.14 37.43 91.39 51.04 -63.62 -42.94 0.40 0.00 99.60 0.11 0.04 0.18 99.50 0.18 0.00 0.00 0.00 29 K H H 89.03 11.26 22.21 33.15 91.31 51.53 -62.81 -41.95 0.32 0.00 99.68 0.06 0.02 0.15 99.71 0.06 0.00 0.00 0.00 30 D H H 84.46 2.17 26.61 27.17 91.35 49.77 -64.33 -41.48 0.32 0.00 99.68 0.04 0.02 0.18 99.72 0.05 0.00 0.00 0.00 31 A H H 9.87 16.68 20.54 37.86 91.56 50.38 -64.22 -42.17 0.22 0.00 99.78 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 32 L H H 8.40 23.48 19.61 42.77 91.54 50.97 -63.49 -42.17 0.16 0.00 99.84 0.03 0.01 0.09 99.86 0.02 0.00 0.00 0.00 33 T H H 66.49 5.47 25.79 31.50 91.54 50.53 -64.01 -41.80 0.13 0.00 99.87 0.02 0.01 0.07 99.89 0.01 0.00 0.00 0.00 34 K H H 101.76 5.43 26.20 32.05 91.69 49.65 -64.59 -41.43 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 35 M H H 5.55 24.65 19.52 44.03 91.60 49.59 -63.89 -42.65 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 36 R H H 80.23 15.73 24.02 38.25 91.35 51.44 -62.14 -42.26 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 37 A H H 54.99 3.10 27.65 30.12 91.19 50.12 -63.40 -42.25 0.18 0.00 99.82 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 38 A H H 13.55 15.45 22.65 38.53 91.33 49.97 -64.85 -42.13 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 39 A H H 3.53 24.45 19.22 43.72 91.39 51.14 -63.25 -42.60 0.31 0.00 99.69 0.03 0.01 0.19 99.69 0.07 0.00 0.00 0.00 40 L H H 69.83 6.91 25.76 33.22 91.42 50.27 -63.63 -42.25 0.42 0.00 99.58 0.04 0.02 0.27 99.54 0.13 0.00 0.00 0.00 41 D H H 69.30 5.36 25.78 31.45 91.65 49.88 -64.81 -39.87 1.03 0.00 98.97 0.10 0.06 0.71 98.78 0.35 0.00 0.00 0.00 42 A H H 4.35 23.75 16.05 40.07 91.14 52.86 -65.04 -37.56 3.32 0.00 96.67 0.27 0.19 2.54 95.64 1.35 0.00 0.00 0.00 43 Q H H 72.83 14.99 19.58 33.78 90.94 57.11 -67.12 -27.53 15.73 0.02 84.25 0.79 0.89 13.70 82.87 1.72 0.01 0.01 0.02 44 K H H 147.24 1.94 22.81 24.04 94.62 51.27 -87.24 -9.17 43.99 0.13 55.88 3.29 4.04 35.21 55.38 1.92 0.02 0.04 0.09 45 A C C 23.94 18.31 12.78 30.80 116.53 103.34 -76.37 142.95 93.73 0.86 5.41 58.04 30.33 4.75 5.10 0.75 0.00 0.23 0.79 46 T C C 84.03 5.93 22.43 29.33 118.18 -148.92 -110.31 125.75 98.95 0.84 0.21 88.31 10.26 0.30 0.12 0.06 0.00 0.24 0.71 47 P C C 24.39 21.21 13.05 33.71 117.28 -116.20 -67.81 150.29 97.57 0.23 2.20 92.79 3.38 1.52 0.92 1.14 0.00 0.08 0.18 48 P C C 47.82 10.75 18.33 29.93 113.25 -102.89 -66.11 152.38 87.25 0.50 12.25 65.67 9.48 11.47 3.39 9.37 0.00 0.21 0.41 49 K C C 124.17 5.30 20.29 26.14 107.47 -102.56 -75.88 125.72 82.63 2.04 15.33 59.00 10.48 12.01 4.10 12.04 0.00 0.88 1.49 50 L C C 24.68 20.38 10.23 29.54 98.27 -148.00 -84.32 -4.39 62.45 2.21 35.35 43.07 8.45 9.71 5.31 31.24 0.00 1.00 1.22 51 E C T 118.01 6.78 14.23 22.52 94.49 89.68 -65.55 -26.71 63.41 0.61 35.98 8.18 9.45 43.82 3.31 34.57 0.00 0.32 0.35 52 D C T 129.65 0.70 16.51 15.29 96.46 41.84 -90.69 2.84 66.44 0.39 33.16 9.02 9.74 45.40 2.32 33.09 0.00 0.20 0.23 53 K C S 70.57 11.33 9.45 21.69 125.00 90.74 -104.07 150.92 96.94 0.84 2.21 43.45 51.67 1.74 0.72 1.08 0.00 0.19 1.15 54 S C C 58.80 2.87 18.25 20.92 117.89 -106.52 -73.24 154.97 99.72 0.20 0.09 95.00 4.38 0.28 0.03 0.04 0.00 0.05 0.21 55 P C T 70.07 12.98 10.57 23.69 91.91 -109.90 -60.96 -26.60 99.58 0.04 0.38 3.17 5.44 90.96 0.05 0.33 0.00 0.02 0.02 56 D C T 120.30 1.32 16.42 17.39 94.89 55.41 -90.25 2.12 99.60 0.03 0.38 3.36 5.49 90.72 0.04 0.35 0.00 0.01 0.01 57 S C S 30.23 8.91 10.33 21.65 117.41 121.71 -72.42 145.68 99.15 0.22 0.63 34.99 63.85 0.31 0.49 0.08 0.00 0.03 0.24 58 P H H 100.56 1.91 17.23 19.06 91.20 -115.38 -58.97 -35.25 18.02 0.04 81.94 1.75 1.73 14.25 75.04 7.16 0.02 0.02 0.03 59 E H H 69.87 11.61 16.05 28.23 91.57 55.52 -65.94 -35.04 12.20 0.04 87.75 1.41 0.84 9.49 81.33 6.88 0.01 0.02 0.02 60 M H H 19.03 18.22 14.28 32.82 91.59 53.08 -63.86 -41.33 2.65 0.01 97.34 0.80 0.30 1.37 92.61 4.91 0.00 0.01 0.00 61 K H H 111.20 3.67 23.17 26.72 91.75 51.95 -63.90 -41.06 1.45 0.01 98.54 0.44 0.16 0.75 97.00 1.64 0.00 0.00 0.00 62 D H H 61.47 6.89 22.86 30.15 91.68 50.63 -64.76 -40.95 1.62 0.01 98.37 0.39 0.16 0.98 97.36 1.11 0.00 0.00 0.00 63 F H H 11.61 22.71 17.88 40.32 91.84 50.64 -64.93 -41.47 1.51 0.00 98.49 0.32 0.13 0.94 97.82 0.80 0.00 0.00 0.00 64 R H H 93.60 12.89 23.20 35.22 91.44 51.79 -63.09 -41.73 0.95 0.00 99.05 0.17 0.08 0.60 98.81 0.34 0.00 0.00 0.00 65 H H H 97.73 3.56 26.65 29.71 91.78 49.89 -64.51 -42.07 0.75 0.00 99.25 0.10 0.06 0.50 99.17 0.18 0.00 0.00 0.00 66 G H H 6.65 17.09 21.17 38.54 92.20 50.82 -63.54 -42.88 0.75 0.00 99.25 0.10 0.04 0.50 99.21 0.15 0.00 0.00 0.00 67 F H H 13.41 22.79 20.29 42.39 91.48 50.33 -63.77 -41.66 0.32 0.00 99.68 0.04 0.02 0.20 99.65 0.10 0.00 0.00 0.00 68 D H H 78.64 5.88 25.71 32.15 91.76 51.05 -64.26 -40.44 0.28 0.00 99.72 0.03 0.01 0.17 99.71 0.07 0.00 0.00 0.00 69 I H H 65.31 8.09 25.09 33.57 91.89 49.47 -65.03 -42.45 0.56 0.00 99.44 0.03 0.02 0.43 99.44 0.07 0.00 0.00 0.00 70 L H H 4.81 24.18 20.59 44.53 91.73 49.10 -64.83 -43.34 0.72 0.00 99.28 0.05 0.03 0.53 99.31 0.08 0.00 0.00 0.00 71 V H H 24.91 18.05 22.34 39.61 91.41 50.65 -62.62 -42.83 0.53 0.00 99.47 0.06 0.03 0.32 99.51 0.07 0.00 0.00 0.00 72 G H H 33.85 3.50 26.63 29.83 91.34 50.46 -63.35 -41.92 0.97 0.00 99.03 0.10 0.05 0.65 99.11 0.09 0.00 0.00 0.00 73 Q H H 46.70 13.70 23.83 37.18 91.99 49.33 -65.63 -41.24 1.11 0.00 98.89 0.15 0.07 0.69 98.97 0.11 0.00 0.00 0.00 74 I H H 3.10 26.07 19.23 45.51 91.49 49.71 -64.30 -43.04 0.67 0.00 99.32 0.14 0.05 0.37 99.35 0.08 0.00 0.00 0.00 75 D H H 66.45 9.08 25.53 34.83 91.30 50.98 -63.04 -41.50 0.49 0.00 99.51 0.10 0.03 0.26 99.55 0.07 0.00 0.00 0.00 76 D H H 72.08 4.26 27.49 31.86 91.54 49.50 -64.73 -40.73 0.40 0.00 99.60 0.04 0.02 0.26 99.61 0.06 0.00 0.00 0.00 77 A H H 3.82 22.00 19.76 42.07 91.46 51.01 -63.55 -42.92 0.28 0.00 99.72 0.03 0.01 0.18 99.72 0.06 0.00 0.00 0.00 78 L H H 25.83 17.67 22.03 39.20 91.35 50.97 -63.30 -42.26 0.32 0.00 99.68 0.04 0.02 0.18 99.70 0.06 0.00 0.00 0.00 79 K H H 115.70 2.40 26.52 27.73 91.55 50.45 -63.79 -41.65 0.60 0.00 99.40 0.06 0.04 0.40 99.38 0.12 0.00 0.00 0.00 80 L H H 26.08 10.04 19.36 31.40 91.64 49.45 -64.27 -42.13 1.24 0.00 98.75 0.24 0.12 0.76 98.59 0.28 0.00 0.00 0.00 81 A H H 10.73 20.63 13.75 34.12 91.67 51.54 -62.86 -41.60 2.30 0.01 97.69 0.38 0.17 1.54 97.32 0.59 0.00 0.00 0.00 82 N H H 105.32 4.80 18.66 24.82 90.61 52.56 -65.63 -28.59 9.59 0.01 90.40 0.34 0.42 8.82 89.89 0.52 0.01 0.00 0.00 83 E C T 130.22 1.84 18.52 19.58 92.28 52.83 -86.87 -1.46 84.23 0.01 15.77 0.27 1.28 82.19 15.75 0.49 0.00 0.00 0.01 84 G C T 45.48 6.77 14.65 22.86 94.61 -109.31 80.94 11.27 99.74 0.00 0.26 0.84 1.86 97.13 0.13 0.03 0.00 0.00 0.00 85 K C C 96.71 5.30 17.53 24.14 104.56 135.10 -97.58 81.45 99.24 0.33 0.42 98.68 0.54 0.13 0.29 0.03 0.00 0.09 0.22 86 V H H 48.15 17.05 12.59 29.18 94.55 167.66 -65.62 -38.58 4.35 0.01 95.64 2.46 0.70 1.23 95.00 0.60 0.00 0.00 0.01 87 K H H 144.72 1.62 22.56 23.23 91.56 54.17 -63.12 -41.28 1.37 0.00 98.63 0.28 0.15 0.78 98.06 0.72 0.00 0.00 0.00 88 E H H 94.16 4.39 22.68 27.05 91.77 47.78 -65.89 -39.89 0.69 0.00 99.31 0.16 0.06 0.37 98.71 0.69 0.00 0.00 0.00 89 A H H 3.79 22.74 13.78 36.96 91.56 51.39 -63.56 -43.03 0.43 0.00 99.56 0.11 0.04 0.20 99.37 0.27 0.00 0.00 0.00 90 Q H H 77.52 10.96 22.93 33.58 91.63 51.33 -63.15 -41.56 0.42 0.00 99.58 0.08 0.03 0.22 99.58 0.09 0.00 0.00 0.00 91 A H H 55.79 2.27 25.95 26.51 91.36 50.33 -63.29 -42.44 0.48 0.00 99.52 0.07 0.03 0.28 99.54 0.08 0.00 0.00 0.00 92 A H H 14.70 14.46 21.12 36.28 91.83 49.59 -64.56 -41.83 0.51 0.00 99.49 0.08 0.03 0.29 99.53 0.08 0.00 0.00 0.00 93 A H H 6.64 22.40 17.88 40.16 91.29 52.12 -63.21 -42.22 0.46 0.00 99.54 0.08 0.02 0.23 99.59 0.08 0.00 0.00 0.00 94 E H H 106.57 3.47 25.55 28.81 91.38 50.67 -64.03 -40.78 0.38 0.00 99.62 0.04 0.02 0.22 99.65 0.07 0.00 0.00 0.00 95 Q H H 93.43 4.21 24.74 28.83 91.58 49.88 -64.77 -40.68 0.54 0.00 99.46 0.06 0.02 0.33 99.51 0.07 0.00 0.00 0.00 96 L H H 7.86 22.87 16.71 39.65 91.76 50.52 -64.92 -42.47 0.44 0.00 99.56 0.07 0.03 0.24 99.62 0.06 0.00 0.00 0.00 97 K H H 87.27 12.12 22.09 33.59 91.42 52.29 -62.52 -41.56 0.38 0.00 99.62 0.07 0.02 0.19 99.68 0.04 0.00 0.00 0.00 98 T H H 78.65 2.09 24.95 25.11 92.29 49.67 -64.50 -41.91 0.54 0.00 99.46 0.09 0.03 0.29 99.54 0.05 0.00 0.00 0.00 99 T H H 32.33 11.88 20.87 33.40 92.43 49.06 -65.24 -41.92 0.45 0.00 99.54 0.08 0.03 0.24 99.60 0.05 0.00 0.00 0.00 100 R H H 45.91 19.60 18.37 36.89 91.62 51.10 -62.49 -42.80 0.34 0.00 99.66 0.07 0.02 0.17 99.71 0.04 0.00 0.00 0.00 101 N H H 81.68 5.09 23.37 28.59 91.79 49.97 -64.01 -40.74 0.50 0.00 99.50 0.08 0.03 0.30 99.54 0.05 0.00 0.00 0.00 102 A H H 49.95 3.49 23.48 26.47 91.72 50.13 -64.26 -42.22 0.53 0.00 99.47 0.06 0.03 0.34 99.50 0.06 0.00 0.00 0.00 103 Y H H 25.13 16.82 19.21 36.32 92.02 49.02 -64.30 -43.18 0.70 0.00 99.30 0.10 0.04 0.45 99.33 0.09 0.00 0.00 0.00 104 I H H 25.22 17.89 18.69 36.40 91.71 49.63 -63.58 -42.54 0.54 0.00 99.46 0.10 0.04 0.31 99.44 0.11 0.00 0.00 0.00 105 Q H H 100.79 3.18 23.12 25.83 91.81 50.41 -64.12 -41.47 0.78 0.00 99.21 0.11 0.05 0.51 99.12 0.22 0.00 0.00 0.00 106 K H H 98.44 4.44 22.44 26.81 92.05 48.50 -65.42 -41.21 1.98 0.00 98.02 0.20 0.12 1.47 97.85 0.34 0.00 0.00 0.00 107 Y H H 23.86 17.70 17.09 35.01 92.57 48.11 -65.83 -42.35 3.33 0.02 96.65 0.62 0.34 2.14 96.41 0.47 0.00 0.00 0.00 108 L H H 44.82 12.85 17.43 30.86 92.16 50.16 -64.39 -41.07 4.70 0.06 95.25 1.67 0.64 2.26 94.44 0.94 0.00 0.03 0.02 109 E H H 112.74 2.17 20.73 21.85 92.31 50.37 -65.51 -40.78 7.17 0.07 92.76 2.29 0.89 3.80 91.66 1.29 0.01 0.04 0.02 110 R H H 118.30 4.59 18.72 23.89 93.00 48.49 -67.63 -38.76 10.11 0.07 89.82 3.01 1.53 5.41 88.48 1.49 0.01 0.03 0.03 111 A H H 25.56 14.04 13.66 28.23 93.49 51.05 -68.43 -36.79 20.63 0.17 79.20 8.31 3.35 8.62 77.85 1.70 0.01 0.07 0.09 112 R H H 121.53 5.90 16.13 23.00 94.44 53.24 -70.54 -34.11 31.39 0.40 68.22 15.31 5.03 10.51 66.70 2.11 0.01 0.17 0.18 113 S H H 63.28 2.96 15.11 18.65 96.79 57.68 -69.15 -36.76 38.63 0.49 60.88 23.04 6.10 9.26 58.23 2.94 0.00 0.22 0.20 114 T H H 72.88 4.58 13.39 19.29 96.19 56.15 -71.44 -34.57 33.85 0.68 65.47 19.01 6.33 9.56 59.39 5.08 0.02 0.35 0.25 115 L H H 81.72 7.39 10.71 19.47 96.94 57.05 -73.47 -29.66 30.93 0.92 68.15 17.58 5.52 9.34 58.83 7.85 0.02 0.53 0.33 116 Q H H 117.10 3.51 11.18 16.20 98.08 63.17 -72.52 -26.62 34.94 1.05 64.01 19.96 5.69 10.59 53.44 9.31 0.02 0.60 0.39 117 K H H 145.45 2.10 10.87 14.12 99.59 65.08 -78.23 -16.16 47.83 1.39 50.78 24.79 7.21 17.00 41.35 8.26 0.03 0.77 0.59 118 E C C 126.80 3.67 10.17 15.47 103.01 70.32 -83.61 7.24 67.25 0.85 31.89 48.76 1.56 16.73 28.35 3.70 0.00 0.46 0.43 119 V C C 81.28 8.55 10.86 20.36 109.71 107.88 -90.04 106.72 99.94 0.03 0.03 99.87 0.05 0.05 0.02 0.00 0.00 0.01 0.00