# 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 47.83 7.00 16.30 24.26 100.63 81.88 -81.41 0.94 99.66 0.09 0.24 99.59 0.08 0.07 0.20 0.01 0.00 0.03 0.02 1 F H H 93.08 7.98 13.26 22.44 94.21 98.57 -64.94 -39.00 11.77 0.12 88.12 8.49 0.69 2.71 87.23 0.78 0.00 0.04 0.06 2 Y H H 121.36 6.40 13.44 20.90 93.08 53.15 -65.56 -39.88 4.00 0.03 95.97 1.31 0.51 1.98 95.52 0.65 0.00 0.01 0.01 3 K H H 128.55 2.23 16.03 18.47 92.67 50.75 -66.12 -39.97 1.38 0.01 98.60 0.46 0.15 0.67 98.15 0.55 0.00 0.01 0.00 4 Q H H 94.59 3.32 16.53 20.35 92.23 49.86 -65.53 -40.56 0.67 0.00 99.33 0.20 0.07 0.33 99.10 0.31 0.00 0.00 0.00 5 S H H 34.72 9.80 14.99 26.00 92.29 51.06 -65.01 -41.45 0.71 0.00 99.29 0.17 0.05 0.37 99.25 0.15 0.00 0.00 0.00 6 L H H 73.37 6.62 17.94 25.46 92.05 50.31 -64.93 -40.47 0.45 0.00 99.55 0.08 0.03 0.25 99.57 0.07 0.00 0.00 0.00 7 D H H 82.85 2.21 21.11 22.12 91.98 50.57 -64.47 -41.18 0.40 0.00 99.60 0.07 0.02 0.22 99.64 0.05 0.00 0.00 0.00 8 A H H 38.43 6.87 18.50 26.64 91.84 50.80 -64.39 -41.47 0.28 0.00 99.72 0.03 0.01 0.17 99.74 0.04 0.00 0.00 0.00 9 V H H 36.25 13.41 16.79 30.82 91.89 50.45 -64.04 -41.97 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 10 L H H 85.77 4.02 21.59 25.59 91.80 50.13 -64.22 -41.58 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 11 V H H 81.46 2.49 22.26 23.51 91.78 49.34 -64.44 -42.19 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 12 A H H 20.21 12.74 16.86 30.89 91.79 50.32 -63.97 -42.28 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 13 R H H 85.74 11.26 18.08 29.66 91.51 51.23 -62.91 -41.56 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 14 D H H 80.22 1.92 21.16 21.46 91.60 50.17 -64.02 -41.42 0.17 0.00 99.83 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 15 E H H 78.67 4.81 18.06 23.76 91.99 49.77 -64.75 -41.07 0.21 0.00 99.78 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 16 L H H 25.08 14.12 11.81 27.04 92.02 50.44 -64.58 -41.11 0.43 0.00 99.57 0.04 0.02 0.27 99.54 0.13 0.00 0.00 0.00 17 K H H 126.95 3.32 14.89 19.48 91.77 50.90 -63.99 -40.41 1.25 0.00 98.75 0.06 0.04 1.01 98.50 0.38 0.00 0.00 0.00 18 R H H 176.64 0.88 14.99 14.81 91.17 52.28 -65.52 -32.71 7.26 0.00 92.74 0.13 0.18 7.11 92.12 0.45 0.00 0.00 0.00 19 L C T 90.04 5.07 11.40 18.23 94.20 49.00 -89.82 2.41 83.72 0.01 16.27 0.40 1.35 81.45 16.19 0.60 0.00 0.00 0.01 20 K C T 176.42 0.70 14.72 14.37 94.20 -118.90 59.54 36.67 99.85 0.00 0.15 1.20 1.03 97.70 0.06 0.02 0.00 0.00 0.00 21 V C C 54.94 9.79 7.95 19.09 117.57 152.92 -97.20 130.22 99.84 0.14 0.03 94.41 5.36 0.08 0.01 0.01 0.00 0.05 0.08 22 P C C 101.76 1.72 16.39 17.79 110.73 -111.44 -65.91 138.82 99.64 0.28 0.08 97.21 2.07 0.41 0.02 0.05 0.00 0.11 0.15 23 F C C 90.48 14.37 8.42 21.97 127.40 -173.05 -126.51 146.54 92.31 7.02 0.67 79.39 10.29 1.76 0.18 0.57 0.00 2.55 5.27 24 K C C 148.50 1.84 16.31 18.51 119.18 -159.18 -111.46 136.78 95.41 4.22 0.37 74.48 19.45 1.48 0.09 0.33 0.00 2.29 1.87 25 R C C 132.02 8.83 11.10 21.34 116.09 -127.77 -87.17 134.09 99.06 0.89 0.05 84.73 14.22 0.23 0.01 0.03 0.00 0.48 0.30 26 P C C 47.02 10.84 9.46 21.53 115.56 -108.75 -66.37 150.74 98.86 0.59 0.54 93.67 3.61 1.69 0.13 0.32 0.00 0.25 0.33 27 L C S 144.69 0.99 13.72 14.40 97.28 -130.85 -79.13 -11.15 98.53 0.36 1.11 33.83 60.36 4.47 0.43 0.49 0.00 0.12 0.30 28 D C C 73.34 4.92 10.43 17.19 120.05 86.55 -97.79 145.36 94.39 1.42 4.18 47.75 42.81 3.67 2.80 1.07 0.00 0.33 1.56 29 Y H H 154.24 3.41 11.59 16.51 94.06 -127.13 -64.43 -33.83 30.01 0.28 69.71 5.44 5.66 18.92 56.94 12.59 0.13 0.12 0.21 30 F H H 126.38 2.85 13.26 17.14 92.58 58.15 -65.94 -34.40 21.18 0.12 78.69 2.42 2.35 15.20 64.67 15.14 0.08 0.06 0.07 31 A H H 32.34 8.22 10.90 21.27 92.61 56.15 -67.25 -34.86 9.38 0.07 90.55 1.66 1.08 5.54 69.87 21.77 0.02 0.04 0.02 32 E H H 96.49 6.11 12.72 20.38 92.53 57.59 -67.60 -29.63 12.53 0.11 87.37 1.97 1.48 7.80 68.90 19.72 0.03 0.06 0.04 33 M H H 115.15 3.28 13.82 17.93 94.75 56.84 -76.83 -19.51 27.19 0.40 72.41 4.72 4.37 17.69 58.57 14.06 0.15 0.20 0.23 34 V C H 89.64 4.49 12.44 18.28 100.92 56.71 -86.34 -11.74 55.74 1.64 42.63 21.02 17.23 19.20 36.58 4.25 0.11 0.57 1.05 35 K C C 105.92 7.16 10.84 19.38 113.69 78.16 -97.46 133.81 82.27 1.35 16.39 45.58 21.15 14.67 14.79 2.46 0.00 0.48 0.87 36 S C C 56.30 3.69 13.76 18.48 118.78 -119.43 -84.03 159.66 92.10 0.76 7.15 76.37 12.01 3.01 6.88 0.97 0.00 0.26 0.50 37 D H H 105.76 3.17 11.84 16.60 93.42 -110.97 -63.36 -33.93 9.86 0.04 90.10 3.32 2.82 3.82 88.78 1.22 0.00 0.01 0.02 38 E H H 133.20 1.11 14.97 15.05 92.66 53.66 -65.58 -40.57 4.59 0.01 95.39 0.86 0.60 2.85 94.48 1.19 0.00 0.01 0.00 39 H H H 80.25 5.24 13.61 20.51 92.84 49.10 -66.44 -40.51 2.72 0.02 97.26 0.84 0.32 1.47 96.08 1.28 0.00 0.01 0.01 40 M H H 61.24 8.18 12.34 22.37 92.08 51.86 -63.82 -40.81 1.10 0.00 98.90 0.36 0.10 0.50 98.53 0.50 0.00 0.00 0.00 41 D H H 86.63 1.96 17.17 18.66 91.78 51.06 -64.45 -40.62 1.12 0.00 98.88 0.30 0.09 0.57 98.74 0.30 0.00 0.00 0.00 42 K H H 123.32 1.75 17.52 18.48 92.16 49.91 -65.40 -40.98 1.19 0.00 98.80 0.28 0.10 0.66 98.72 0.23 0.00 0.00 0.00 43 I H H 61.05 7.02 14.84 23.50 92.28 49.49 -64.97 -42.06 0.70 0.00 99.30 0.17 0.07 0.35 99.29 0.12 0.00 0.00 0.00 44 K H H 101.97 4.67 16.44 22.13 91.81 50.95 -63.58 -40.85 0.62 0.00 99.38 0.12 0.04 0.33 99.40 0.11 0.00 0.00 0.00 45 G H H 36.23 2.19 17.13 19.05 91.59 50.74 -63.45 -41.18 0.90 0.00 99.10 0.12 0.05 0.55 99.14 0.14 0.00 0.00 0.00 46 K H H 111.58 2.56 17.08 19.61 92.15 49.96 -65.59 -40.51 0.74 0.00 99.26 0.12 0.05 0.39 99.31 0.12 0.00 0.00 0.00 47 L H H 74.41 5.43 15.00 21.64 92.43 50.70 -64.52 -41.68 0.58 0.00 99.41 0.13 0.05 0.28 99.46 0.09 0.00 0.00 0.00 48 I H H 94.70 2.56 16.22 18.92 91.93 49.48 -64.60 -41.58 0.41 0.00 99.59 0.09 0.03 0.20 99.61 0.07 0.00 0.00 0.00 49 E H H 117.09 1.51 17.15 17.52 92.00 50.01 -64.70 -41.30 0.41 0.00 99.59 0.07 0.03 0.21 99.63 0.06 0.00 0.00 0.00 50 E H H 101.36 2.61 16.54 19.22 91.98 49.21 -64.82 -41.10 0.53 0.00 99.47 0.07 0.04 0.29 99.52 0.08 0.00 0.00 0.00 51 A H H 46.36 4.15 14.90 20.33 91.78 50.38 -64.18 -40.96 0.76 0.00 99.24 0.11 0.05 0.43 99.30 0.11 0.00 0.00 0.00 52 S H H 56.76 2.49 16.14 18.85 91.96 50.58 -64.35 -40.55 1.24 0.00 98.76 0.20 0.09 0.70 98.86 0.14 0.00 0.00 0.00 53 D H H 85.18 1.95 16.54 18.02 92.37 50.22 -65.44 -40.09 1.68 0.00 98.32 0.32 0.14 0.91 98.46 0.16 0.00 0.00 0.00 54 K H H 114.88 2.45 16.07 18.48 92.25 50.61 -65.45 -40.65 1.29 0.00 98.71 0.30 0.12 0.62 98.81 0.16 0.00 0.00 0.00 55 K H H 119.71 2.04 16.31 18.08 91.94 50.28 -64.99 -40.52 1.21 0.00 98.78 0.31 0.11 0.56 98.87 0.15 0.00 0.00 0.00 56 A H H 55.65 2.38 15.48 18.13 91.79 50.34 -64.45 -40.91 1.14 0.00 98.86 0.28 0.09 0.53 98.95 0.14 0.00 0.00 0.00 57 R H H 132.84 1.97 16.30 17.98 92.06 50.20 -64.88 -40.88 0.89 0.00 99.11 0.21 0.08 0.40 99.19 0.11 0.00 0.00 0.00 58 E H H 95.42 2.53 15.81 18.41 91.77 50.14 -64.39 -41.17 0.64 0.00 99.36 0.14 0.05 0.29 99.43 0.09 0.00 0.00 0.00 59 E H H 104.53 1.88 16.48 17.86 91.63 49.87 -64.63 -40.82 0.63 0.00 99.37 0.13 0.05 0.30 99.44 0.09 0.00 0.00 0.00 60 A H H 52.66 2.48 15.17 18.20 91.71 50.54 -63.75 -41.27 0.76 0.00 99.24 0.15 0.05 0.37 99.33 0.10 0.00 0.00 0.00 61 R H H 129.60 2.18 15.77 17.88 91.86 50.34 -64.79 -40.98 0.91 0.00 99.09 0.19 0.07 0.45 99.18 0.12 0.00 0.00 0.00 62 R H H 133.33 2.02 15.67 17.55 91.73 50.57 -64.83 -40.92 1.05 0.00 98.95 0.21 0.07 0.53 99.06 0.13 0.00 0.00 0.00 63 Q H H 103.56 1.67 15.92 16.96 91.61 50.16 -64.78 -41.02 1.20 0.00 98.80 0.28 0.10 0.57 98.89 0.16 0.00 0.00 0.00 64 R H H 129.73 1.84 15.56 17.11 91.74 50.13 -64.75 -40.70 1.40 0.00 98.59 0.35 0.12 0.69 98.63 0.22 0.00 0.00 0.00 65 Q H H 94.16 2.68 14.91 18.03 91.71 50.78 -64.53 -40.58 1.71 0.00 98.28 0.42 0.15 0.88 98.26 0.29 0.00 0.00 0.00 66 L H H 96.23 1.90 15.29 17.04 91.87 50.50 -64.85 -40.34 2.14 0.00 97.86 0.55 0.20 1.10 97.65 0.49 0.00 0.00 0.00 67 K H H 127.41 1.45 15.70 16.38 92.08 50.05 -65.42 -40.38 3.42 0.01 96.57 0.75 0.33 1.99 96.26 0.66 0.00 0.00 0.00 68 K H H 115.05 2.16 15.60 17.77 92.13 49.86 -65.38 -41.12 5.63 0.02 94.36 1.09 0.58 3.52 93.96 0.82 0.00 0.01 0.01 69 F H H 110.55 2.56 15.22 18.01 91.99 49.36 -65.53 -40.59 6.07 0.02 93.91 1.55 0.77 3.33 93.53 0.80 0.00 0.00 0.01 70 G H H 34.52 2.54 15.18 18.33 91.88 51.58 -63.35 -41.75 5.74 0.01 94.25 1.94 0.57 2.68 94.19 0.61 0.00 0.00 0.01 71 K H H 117.63 1.93 15.90 17.60 92.05 50.32 -65.21 -40.16 2.38 0.01 97.61 0.68 0.26 1.16 97.49 0.40 0.00 0.00 0.00 72 Q H H 104.14 2.25 15.92 18.18 92.13 50.96 -65.11 -40.54 1.40 0.00 98.59 0.42 0.15 0.65 98.51 0.27 0.00 0.00 0.00 73 V H H 82.34 2.25 15.69 18.00 91.99 49.73 -65.10 -41.40 0.89 0.00 99.11 0.27 0.09 0.40 99.07 0.17 0.00 0.00 0.00 74 Q H H 106.38 1.79 16.37 17.61 92.04 49.78 -64.52 -40.89 0.72 0.00 99.27 0.18 0.06 0.35 99.29 0.12 0.00 0.00 0.00 75 N H H 84.11 2.31 16.14 18.45 92.11 49.95 -64.89 -40.88 0.57 0.00 99.43 0.11 0.05 0.29 99.46 0.08 0.00 0.00 0.00 76 A H H 50.59 2.69 15.37 18.65 91.51 50.51 -63.73 -41.48 0.45 0.00 99.55 0.08 0.03 0.22 99.60 0.06 0.00 0.00 0.00 77 T H H 71.20 2.21 16.33 18.39 91.83 50.09 -64.35 -41.36 0.44 0.00 99.56 0.07 0.03 0.22 99.62 0.06 0.00 0.00 0.00 78 L H H 86.93 2.35 15.66 18.15 91.91 50.36 -64.52 -40.95 0.40 0.00 99.60 0.07 0.02 0.21 99.65 0.06 0.00 0.00 0.00 79 Q H H 101.76 2.02 15.70 17.54 91.76 50.35 -64.58 -40.81 0.44 0.00 99.56 0.07 0.03 0.22 99.62 0.05 0.00 0.00 0.00 80 K H H 122.23 1.72 15.76 17.05 91.87 50.16 -64.76 -40.98 0.39 0.00 99.61 0.06 0.03 0.20 99.66 0.05 0.00 0.00 0.00 81 R H H 132.00 1.82 15.43 16.96 91.81 50.03 -64.65 -41.20 0.35 0.00 99.65 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 82 Q H H 95.42 2.18 15.54 17.76 91.81 50.20 -64.53 -40.93 0.35 0.00 99.65 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 83 L H H 86.41 2.14 15.30 17.50 91.65 50.26 -64.00 -41.19 0.35 0.00 99.65 0.05 0.02 0.18 99.70 0.05 0.00 0.00 0.00 84 E H H 103.92 1.95 15.47 17.25 91.73 50.48 -64.24 -41.28 0.45 0.00 99.55 0.06 0.02 0.25 99.61 0.06 0.00 0.00 0.00 85 K H H 116.51 2.12 15.14 17.34 91.98 50.03 -64.83 -40.99 0.59 0.00 99.41 0.09 0.04 0.33 99.47 0.08 0.00 0.00 0.00 86 R H H 132.59 1.90 15.30 17.06 91.95 50.12 -64.93 -40.90 0.59 0.00 99.40 0.10 0.04 0.31 99.46 0.08 0.00 0.00 0.00 87 E H H 104.69 1.78 15.45 16.84 91.76 50.10 -64.49 -40.97 0.75 0.00 99.25 0.13 0.05 0.40 99.32 0.10 0.00 0.00 0.00 88 T H H 68.97 2.34 14.54 17.28 91.98 49.98 -64.60 -41.00 1.19 0.00 98.80 0.20 0.08 0.68 98.86 0.17 0.00 0.00 0.00 89 L H H 85.82 2.43 13.49 16.62 91.98 50.81 -64.67 -40.68 1.21 0.00 98.79 0.22 0.10 0.69 98.67 0.33 0.00 0.00 0.00 90 E H H 107.74 1.65 13.63 15.24 91.79 51.26 -64.67 -39.84 2.06 0.00 97.94 0.31 0.15 1.32 97.37 0.84 0.00 0.00 0.00 91 K H H 127.58 1.39 12.54 13.86 92.13 51.19 -65.74 -38.86 5.46 0.01 94.53 0.59 0.35 4.04 93.47 1.55 0.00 0.00 0.00 92 I H H 106.04 2.12 10.16 13.38 92.98 51.12 -67.68 -36.53 8.44 0.03 91.53 1.61 0.86 5.52 89.82 2.15 0.01 0.01 0.01 93 K H H 154.45 1.12 10.02 11.62 93.73 55.00 -70.13 -26.50 30.43 0.15 69.43 4.98 2.46 22.44 67.66 2.27 0.02 0.05 0.11 94 S C T 90.49 0.97 9.37 10.64 97.66 56.72 -79.36 -10.06 62.66 0.12 37.23 18.00 0.99 40.38 38.89 1.62 0.00 0.04 0.08 95 L C C 113.71 3.13 9.75 14.50 100.50 83.43 -77.77 -11.37 99.95 0.01 0.04 99.83 0.06 0.07 0.02 0.00 0.00 0.00 0.00