# 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 106.30 6.69 12.37 20.27 112.41 -150.65 -86.26 134.00 99.93 0.03 0.04 99.87 0.06 0.04 0.01 0.00 0.00 0.01 0.00 1 A C C 67.02 4.83 10.88 17.27 109.40 -127.69 -80.37 131.65 79.13 0.68 20.19 73.09 1.11 5.45 17.91 1.77 0.00 0.30 0.38 2 T C C 91.40 3.62 11.06 16.09 105.02 -140.22 -81.13 8.68 61.55 0.85 37.60 41.82 8.97 10.40 34.30 3.69 0.00 0.36 0.45 3 Y H H 136.15 5.79 10.87 18.00 99.50 62.43 -78.36 -17.06 44.39 0.61 55.00 25.53 9.03 10.88 49.61 4.37 0.01 0.25 0.31 4 S H H 62.63 3.81 13.69 18.54 99.81 64.95 -72.74 -35.82 37.83 0.36 61.81 24.74 6.02 7.35 58.63 2.94 0.00 0.15 0.17 5 L H H 85.18 4.58 15.01 20.58 94.85 56.89 -67.52 -38.41 14.03 0.10 85.87 8.70 2.46 3.19 84.07 1.49 0.00 0.04 0.04 6 A H H 35.83 9.80 13.64 24.78 92.94 53.21 -64.54 -40.54 5.86 0.03 94.11 3.01 0.80 1.93 93.31 0.92 0.00 0.02 0.01 7 N H H 79.85 4.48 16.98 22.32 92.59 51.01 -65.24 -39.58 3.53 0.02 96.45 1.70 0.46 1.30 95.88 0.65 0.00 0.01 0.01 8 E H H 98.31 3.21 18.46 21.68 92.20 51.12 -65.18 -40.45 1.64 0.01 98.35 0.74 0.19 0.64 98.07 0.35 0.00 0.00 0.00 9 R H H 91.86 9.71 17.16 27.50 92.09 50.73 -64.92 -40.95 0.95 0.00 99.04 0.32 0.09 0.44 98.92 0.23 0.00 0.00 0.00 10 L H H 59.30 10.11 17.26 28.21 91.94 50.53 -64.48 -40.49 0.64 0.00 99.36 0.17 0.05 0.33 99.25 0.19 0.00 0.00 0.00 11 R H H 134.29 2.40 21.77 23.42 91.48 50.60 -63.78 -40.99 0.84 0.00 99.15 0.18 0.06 0.49 99.06 0.20 0.00 0.00 0.00 12 A H H 39.41 6.48 19.35 27.06 91.74 50.50 -64.24 -41.63 0.86 0.00 99.14 0.15 0.06 0.51 99.15 0.13 0.00 0.00 0.00 13 L H H 33.43 15.09 16.86 32.37 92.04 50.58 -64.45 -41.24 0.44 0.00 99.56 0.08 0.03 0.23 99.58 0.08 0.00 0.00 0.00 14 E H H 93.93 4.91 21.01 26.16 91.59 51.38 -63.79 -41.22 0.37 0.00 99.63 0.06 0.02 0.20 99.66 0.06 0.00 0.00 0.00 15 D H H 79.20 2.87 22.20 24.24 91.96 49.88 -64.94 -40.98 0.49 0.00 99.51 0.06 0.03 0.30 99.55 0.07 0.00 0.00 0.00 16 I H H 28.98 14.40 17.41 32.59 92.13 49.92 -64.69 -42.27 0.31 0.00 99.69 0.05 0.02 0.17 99.71 0.05 0.00 0.00 0.00 17 E H H 75.78 11.11 19.00 30.27 91.54 51.72 -63.10 -40.99 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 18 R H H 146.59 1.90 22.62 23.35 91.70 50.19 -64.85 -41.04 0.27 0.00 99.73 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 19 E H H 82.71 7.97 20.95 29.32 91.98 49.58 -65.48 -40.82 0.27 0.00 99.73 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 20 I H H 28.61 17.28 17.44 34.71 91.94 49.97 -64.10 -42.15 0.22 0.00 99.78 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 21 G H H 30.15 5.32 21.77 27.60 91.29 51.14 -62.94 -41.46 0.35 0.00 99.64 0.03 0.01 0.21 99.70 0.04 0.00 0.00 0.00 22 A H H 51.37 3.91 22.74 26.49 91.62 50.81 -64.47 -41.17 0.38 0.00 99.62 0.03 0.02 0.24 99.66 0.06 0.00 0.00 0.00 23 I H H 27.91 16.00 18.25 34.53 91.74 51.09 -64.23 -42.18 0.30 0.00 99.70 0.03 0.01 0.18 99.71 0.06 0.00 0.00 0.00 24 L H H 66.13 11.39 20.54 31.70 91.62 50.38 -63.66 -41.20 0.28 0.00 99.72 0.04 0.02 0.18 99.70 0.06 0.00 0.00 0.00 25 Q H H 115.02 2.14 24.23 25.33 91.48 49.77 -64.15 -41.49 0.55 0.00 99.45 0.07 0.03 0.38 99.45 0.07 0.00 0.00 0.00 26 N H H 52.74 9.83 21.16 31.57 92.14 48.48 -65.34 -41.07 0.89 0.00 99.11 0.10 0.06 0.60 99.16 0.08 0.00 0.00 0.00 27 A H H 17.03 17.45 17.87 35.49 91.58 51.23 -63.45 -41.47 0.49 0.00 99.51 0.07 0.03 0.28 99.56 0.06 0.00 0.00 0.00 28 G H H 29.73 5.89 22.17 28.58 91.27 51.95 -62.93 -41.34 0.44 0.00 99.56 0.05 0.02 0.25 99.61 0.07 0.00 0.00 0.00 29 T H H 69.66 3.88 23.81 27.42 91.87 50.05 -65.18 -41.11 0.45 0.00 99.55 0.05 0.02 0.26 99.58 0.08 0.00 0.00 0.00 30 V H H 22.51 15.78 18.08 34.28 91.89 50.52 -64.14 -42.79 0.37 0.00 99.63 0.04 0.02 0.22 99.61 0.11 0.00 0.00 0.00 31 I H H 57.38 11.48 19.58 31.24 91.42 49.71 -63.94 -41.86 0.60 0.00 99.40 0.08 0.04 0.38 99.25 0.25 0.00 0.00 0.00 32 L H H 92.96 2.53 21.76 23.27 91.69 50.30 -64.77 -40.73 2.25 0.01 97.74 0.24 0.16 1.68 97.02 0.89 0.00 0.00 0.00 33 E H H 57.43 8.21 16.37 26.28 91.93 51.03 -65.51 -37.86 7.04 0.02 92.94 0.77 0.56 5.40 91.44 1.79 0.01 0.01 0.01 34 L H H 49.93 14.06 13.27 27.65 92.52 54.51 -70.16 -26.39 18.75 0.07 81.19 2.21 1.80 14.31 79.60 1.99 0.02 0.03 0.04 35 S C H 70.66 4.35 14.95 20.25 95.53 54.92 -81.16 -11.73 52.78 0.37 46.85 11.83 9.21 31.63 44.59 2.34 0.03 0.12 0.25 36 K C S 120.85 3.87 11.86 17.25 114.12 83.07 -90.64 140.18 84.47 0.49 15.04 22.60 34.87 26.87 11.78 3.29 0.00 0.17 0.41 37 E C S 153.71 1.99 11.92 15.17 96.88 -125.30 -69.40 -12.86 88.72 0.42 10.86 29.21 37.90 21.92 6.65 3.84 0.00 0.16 0.32 38 K C C 153.40 1.68 13.79 15.86 112.18 57.09 -97.99 103.37 88.61 0.64 10.75 57.94 21.86 8.85 7.03 3.61 0.00 0.25 0.45 39 T C C 55.50 12.66 8.52 21.06 115.63 -139.70 -86.78 137.20 90.15 0.59 9.27 80.63 5.98 3.79 7.04 1.94 0.00 0.24 0.37 40 N C C 86.93 4.05 15.27 20.12 110.57 -128.25 -85.59 118.84 89.51 0.36 10.13 83.60 2.85 3.48 8.34 1.38 0.00 0.14 0.22 41 E H H 113.10 7.33 12.15 20.97 94.39 -152.99 -64.21 -34.43 24.29 0.13 75.58 15.57 3.87 5.24 72.52 2.68 0.00 0.05 0.06 42 R H H 162.17 1.17 16.73 16.75 92.25 55.38 -64.32 -40.20 10.62 0.05 89.33 4.46 1.51 4.40 86.80 2.77 0.00 0.02 0.02 43 L H H 70.74 5.24 16.00 22.60 92.42 49.39 -65.88 -40.33 5.95 0.04 94.01 2.75 0.73 2.40 91.48 2.59 0.00 0.02 0.02 44 L H H 26.78 15.47 12.43 28.42 92.13 51.27 -64.19 -41.75 2.60 0.02 97.38 1.21 0.32 0.96 96.59 0.91 0.00 0.01 0.00 45 D H H 78.82 4.75 18.57 24.08 91.61 50.95 -63.34 -40.90 1.47 0.01 98.52 0.59 0.16 0.60 98.28 0.36 0.00 0.00 0.00 46 R H H 143.45 1.56 21.47 21.13 91.99 49.41 -65.11 -41.58 0.97 0.00 99.03 0.32 0.10 0.45 98.90 0.23 0.00 0.00 0.00 47 Q H H 56.55 10.70 18.35 29.86 92.13 49.09 -65.36 -40.53 0.79 0.00 99.21 0.20 0.06 0.42 99.13 0.18 0.00 0.00 0.00 48 A H H 21.74 15.04 16.45 32.00 91.78 50.88 -63.69 -41.22 0.67 0.00 99.33 0.15 0.05 0.36 99.33 0.11 0.00 0.00 0.00 49 A H H 60.16 2.91 22.60 24.63 91.73 50.88 -64.16 -41.00 0.38 0.00 99.62 0.06 0.02 0.21 99.65 0.07 0.00 0.00 0.00 50 A H H 54.18 3.82 22.13 25.78 91.81 50.33 -64.54 -41.33 0.39 0.00 99.61 0.04 0.02 0.24 99.63 0.07 0.00 0.00 0.00 51 F H H 31.86 17.10 16.72 33.89 91.89 49.90 -64.33 -42.14 0.41 0.00 99.59 0.06 0.02 0.23 99.61 0.08 0.00 0.00 0.00 52 T H H 55.64 10.08 20.25 30.69 91.59 50.48 -63.63 -41.09 0.48 0.00 99.52 0.07 0.02 0.28 99.54 0.09 0.00 0.00 0.00 53 A H H 60.96 2.13 23.64 23.86 91.67 50.24 -64.47 -41.23 1.00 0.00 98.99 0.08 0.05 0.71 99.03 0.13 0.00 0.00 0.00 54 S H H 27.71 10.03 19.56 30.84 92.02 50.16 -65.16 -41.02 1.54 0.00 98.46 0.14 0.09 1.10 98.54 0.14 0.00 0.00 0.00 55 V H H 20.13 18.79 16.22 34.89 91.83 51.32 -63.84 -41.72 0.41 0.00 99.59 0.06 0.03 0.22 99.62 0.07 0.00 0.00 0.00 56 Q H H 104.37 3.76 21.93 25.85 91.49 51.50 -63.80 -40.54 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 57 H H H 111.73 2.65 22.81 24.58 91.97 49.84 -65.00 -41.63 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 58 V H H 18.33 16.71 17.04 34.31 92.02 48.92 -64.61 -42.91 0.15 0.00 99.85 0.02 0.01 0.09 99.84 0.05 0.00 0.00 0.00 59 E H H 70.16 12.62 18.99 31.52 91.58 51.76 -62.92 -41.26 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 60 A H H 63.03 2.08 22.88 23.22 91.84 50.33 -64.36 -41.13 0.31 0.00 99.69 0.03 0.01 0.20 99.71 0.05 0.00 0.00 0.00 61 E H H 84.10 7.10 20.80 28.41 91.93 49.10 -66.08 -40.65 0.55 0.00 99.45 0.05 0.03 0.36 99.49 0.07 0.00 0.00 0.00 62 L H H 23.52 18.00 15.92 33.99 91.92 50.73 -64.79 -40.66 0.74 0.00 99.26 0.11 0.04 0.42 99.34 0.09 0.00 0.00 0.00 63 S H H 51.05 5.51 21.12 27.18 91.56 51.53 -63.37 -41.12 0.65 0.00 99.35 0.10 0.03 0.35 99.42 0.09 0.00 0.00 0.00 64 A H H 54.84 3.41 21.89 24.85 91.97 50.56 -64.99 -40.94 0.56 0.00 99.44 0.06 0.03 0.34 99.48 0.09 0.00 0.00 0.00 65 Q H H 52.49 13.21 18.64 31.96 92.29 50.16 -65.30 -41.13 0.53 0.00 99.47 0.06 0.03 0.33 99.49 0.11 0.00 0.00 0.00 66 I H H 52.90 12.34 18.36 31.05 91.91 50.59 -64.00 -41.63 0.43 0.00 99.57 0.05 0.02 0.26 99.55 0.11 0.00 0.00 0.00 67 R H H 139.19 2.48 22.61 24.49 91.54 50.54 -63.84 -40.90 0.74 0.00 99.26 0.06 0.03 0.53 99.19 0.19 0.00 0.00 0.00 68 Y H H 87.38 7.87 19.68 28.43 92.18 50.60 -64.71 -41.39 1.11 0.00 98.89 0.10 0.06 0.79 98.66 0.40 0.00 0.00 0.00 69 L H H 38.71 14.77 17.14 32.12 92.20 50.61 -64.68 -40.79 1.11 0.00 98.89 0.15 0.08 0.71 98.48 0.58 0.00 0.00 0.00 70 T H H 58.73 6.26 19.58 26.65 91.92 50.84 -64.43 -40.91 2.40 0.01 97.59 0.30 0.19 1.71 96.84 0.94 0.00 0.00 0.00 71 Q H H 92.99 3.33 19.94 23.17 92.36 49.92 -65.75 -40.31 5.69 0.05 94.25 0.89 0.62 4.09 92.79 1.54 0.02 0.02 0.02 72 V H H 46.33 11.32 15.37 27.55 92.85 49.65 -66.47 -39.51 10.40 0.10 89.50 1.89 1.27 7.26 86.95 2.50 0.03 0.05 0.05 73 A H H 49.76 10.48 14.54 25.66 92.55 52.39 -70.45 -26.49 24.38 0.21 75.41 3.59 2.95 18.08 72.45 2.65 0.06 0.09 0.12 74 T C T 89.17 2.87 16.24 19.33 96.63 51.01 -89.94 -6.69 64.17 0.39 35.44 5.20 9.25 47.85 34.56 2.68 0.04 0.14 0.29 75 G C T 53.73 3.97 12.72 18.51 98.04 -113.82 78.51 9.86 96.34 0.21 3.45 21.75 18.69 56.13 2.33 0.89 0.00 0.09 0.12 76 Q C C 104.95 3.67 12.73 18.21 116.75 140.79 -88.11 139.52 99.40 0.47 0.13 72.61 26.43 0.41 0.06 0.05 0.00 0.16 0.28 77 P C C 98.26 3.40 13.75 18.78 112.78 -104.62 -65.47 145.45 99.20 0.43 0.36 91.99 5.72 1.52 0.08 0.25 0.00 0.20 0.23 78 H C C 92.56 11.42 8.53 20.06 111.89 -137.19 -93.12 123.20 94.42 4.16 1.42 85.84 5.74 2.18 0.50 0.82 0.00 1.64 3.29 79 E C C 145.77 2.21 13.18 16.54 110.19 -148.84 -83.19 126.63 94.10 2.76 3.14 37.87 21.59 35.04 0.81 2.08 0.00 1.42 1.18 80 G C T 57.76 2.28 14.02 17.07 103.04 12.98 79.78 0.57 94.66 1.43 3.91 27.67 30.63 36.68 1.15 2.49 0.00 0.66 0.72 81 S C C 53.03 8.98 10.50 20.57 115.94 117.35 -95.79 146.23 84.89 2.64 12.47 55.25 20.06 9.61 7.44 4.71 0.00 1.00 1.93 82 S C S 66.33 6.27 14.54 21.81 101.76 -144.95 -82.41 -3.84 76.29 1.31 22.40 29.17 29.86 17.86 17.43 4.34 0.02 0.49 0.84 83 Y H H 109.33 8.38 14.55 23.80 97.71 82.48 -76.20 -26.06 44.63 0.82 54.56 23.06 12.08 11.02 49.91 3.10 0.03 0.28 0.51 84 S H H 51.70 5.62 16.74 23.55 93.34 74.74 -63.25 -41.17 6.52 0.03 93.45 3.08 1.08 2.18 92.37 1.26 0.00 0.01 0.01 85 S H H 46.69 7.33 16.80 25.17 92.32 51.40 -65.26 -39.76 2.53 0.02 97.45 0.86 0.30 1.20 96.59 1.04 0.00 0.01 0.00 86 R H H 109.52 7.39 17.71 25.96 92.13 50.89 -65.60 -40.00 1.29 0.01 98.71 0.38 0.13 0.63 98.16 0.69 0.00 0.00 0.00 87 K H H 94.86 5.87 18.87 25.51 92.06 50.64 -64.38 -41.63 0.61 0.00 99.39 0.16 0.06 0.28 99.33 0.16 0.00 0.00 0.00 88 D H H 74.00 5.50 20.12 25.94 91.90 50.19 -64.35 -41.00 0.40 0.00 99.60 0.08 0.03 0.19 99.63 0.07 0.00 0.00 0.00 89 C H H 46.23 8.94 18.01 27.97 92.03 50.67 -64.88 -41.10 0.27 0.00 99.73 0.04 0.02 0.14 99.75 0.05 0.00 0.00 0.00 90 Q H H 83.86 5.68 20.40 26.60 91.80 50.57 -64.41 -41.35 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.03 0.00 0.00 0.00 91 M H H 81.25 4.63 20.89 25.71 91.75 50.11 -63.90 -41.93 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 92 A H H 33.13 8.74 18.04 28.10 91.82 50.77 -64.05 -41.73 0.29 0.00 99.71 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 93 L H H 66.51 7.85 18.82 27.55 91.68 50.52 -64.27 -41.33 0.32 0.00 99.68 0.03 0.01 0.20 99.71 0.04 0.00 0.00 0.00 94 K H H 112.33 3.03 21.52 24.09 91.71 50.45 -64.29 -41.14 0.41 0.00 99.59 0.04 0.02 0.26 99.63 0.05 0.00 0.00 0.00 95 R H H 106.77 6.05 20.12 26.51 91.88 50.36 -64.59 -41.49 0.37 0.00 99.63 0.04 0.02 0.22 99.67 0.05 0.00 0.00 0.00 96 V H H 40.25 11.58 17.25 29.80 91.87 50.16 -64.54 -41.69 0.23 0.00 99.77 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 97 D H H 74.67 4.12 20.95 25.09 91.64 50.55 -63.69 -41.49 0.31 0.00 99.69 0.03 0.01 0.19 99.71 0.05 0.00 0.00 0.00 98 Y H H 113.29 3.01 20.82 23.32 91.61 49.57 -64.43 -41.82 0.38 0.00 99.62 0.04 0.02 0.24 99.65 0.06 0.00 0.00 0.00 99 A H H 28.56 10.54 16.59 28.47 91.83 50.74 -63.97 -42.00 0.26 0.00 99.74 0.03 0.01 0.14 99.76 0.05 0.00 0.00 0.00 100 R H H 110.91 7.69 18.32 26.72 91.62 50.98 -63.26 -40.92 0.31 0.00 99.69 0.03 0.01 0.18 99.72 0.05 0.00 0.00 0.00 101 L H H 96.57 2.01 20.64 21.37 91.80 49.86 -64.53 -41.56 0.41 0.00 99.59 0.04 0.02 0.25 99.63 0.05 0.00 0.00 0.00 102 K H H 102.10 4.62 19.19 24.18 92.01 49.47 -65.17 -41.35 0.48 0.00 99.52 0.06 0.03 0.27 99.58 0.06 0.00 0.00 0.00 103 L H H 48.90 11.65 15.66 28.09 91.95 49.97 -64.70 -41.01 0.37 0.00 99.63 0.05 0.02 0.21 99.65 0.06 0.00 0.00 0.00 104 S H H 55.50 3.58 18.85 22.72 91.54 51.04 -63.48 -40.67 0.39 0.00 99.61 0.05 0.02 0.22 99.65 0.07 0.00 0.00 0.00 105 D H H 80.60 2.29 19.47 20.94 92.04 50.37 -65.05 -40.87 0.57 0.00 99.43 0.06 0.03 0.35 99.47 0.09 0.00 0.00 0.00 106 V H H 54.66 7.72 16.57 25.55 92.07 50.08 -65.03 -41.37 0.43 0.00 99.57 0.06 0.03 0.24 99.58 0.09 0.00 0.00 0.00 107 A H H 43.67 6.97 16.29 24.59 91.84 51.39 -63.36 -41.16 0.45 0.00 99.55 0.07 0.02 0.25 99.57 0.09 0.00 0.00 0.00 108 R H H 140.70 1.66 18.91 19.45 92.07 50.01 -64.98 -41.04 0.69 0.00 99.31 0.09 0.04 0.40 99.35 0.12 0.00 0.00 0.00 109 T H H 64.15 3.38 17.15 20.94 92.26 49.49 -64.83 -41.59 0.81 0.00 99.18 0.12 0.06 0.47 99.16 0.19 0.00 0.00 0.00 110 C H H 45.32 7.09 14.04 22.83 92.10 50.08 -64.73 -40.44 1.24 0.00 98.76 0.22 0.09 0.72 98.59 0.38 0.00 0.00 0.00 111 E H H 101.21 2.87 15.05 18.52 91.95 50.64 -64.43 -39.92 2.43 0.00 97.57 0.37 0.17 1.59 96.95 0.92 0.00 0.00 0.00 112 Q H H 109.68 1.53 14.25 15.40 92.04 51.00 -65.08 -39.73 5.40 0.01 94.59 0.62 0.40 3.94 93.18 1.84 0.00 0.00 0.00 113 M H H 104.88 3.43 11.68 16.39 93.37 50.46 -68.31 -35.36 12.70 0.02 87.28 1.67 1.08 9.31 85.81 2.09 0.01 0.01 0.02 114 L H H 105.72 3.67 9.81 14.90 95.12 51.98 -74.74 -23.68 31.62 0.25 68.13 8.45 4.50 19.00 65.67 2.12 0.02 0.09 0.17 115 E C C 142.38 1.54 9.41 11.94 99.05 61.58 -79.75 -9.54 65.40 0.34 34.26 38.30 1.83 22.41 35.85 1.26 0.00 0.11 0.23 116 N C C 121.42 2.14 10.65 14.12 104.01 110.04 -76.95 65.53 99.97 0.01 0.02 99.87 0.05 0.07 0.01 0.00 0.00 0.00 0.00