# 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 54.07 16.43 10.64 26.27 117.23 -132.00 -81.72 143.48 99.97 0.02 0.01 99.69 0.26 0.03 0.00 0.00 0.00 0.01 0.01 1 D C C 80.43 3.43 14.92 19.02 117.17 -113.31 -74.50 161.01 97.35 0.21 2.44 96.71 0.33 0.42 2.26 0.08 0.00 0.04 0.15 2 E H H 140.76 1.98 13.41 16.25 92.03 -100.64 -59.66 -37.51 2.49 0.00 97.50 0.51 0.34 1.33 97.38 0.44 0.00 0.00 0.00 3 A H H 58.91 3.15 14.91 18.94 91.78 51.55 -64.53 -40.39 1.33 0.00 98.67 0.20 0.12 0.83 98.31 0.54 0.00 0.00 0.00 4 D H H 29.02 14.71 13.33 28.65 91.99 50.04 -65.04 -40.55 0.53 0.00 99.47 0.12 0.04 0.28 99.10 0.46 0.00 0.00 0.00 5 R H H 88.95 10.49 16.54 27.77 91.40 51.94 -62.88 -41.57 0.20 0.00 99.79 0.04 0.01 0.10 99.77 0.08 0.00 0.00 0.00 6 R H H 128.83 1.97 21.85 22.23 91.37 50.19 -64.21 -41.62 0.21 0.00 99.79 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 7 L H H 37.26 9.54 19.02 30.21 91.62 49.90 -63.50 -42.98 0.20 0.00 99.80 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 8 L H H 8.43 22.88 15.06 38.05 91.37 50.14 -63.36 -42.29 0.33 0.00 99.67 0.03 0.01 0.19 99.63 0.12 0.00 0.00 0.00 9 R H H 114.43 8.89 19.98 29.26 91.73 51.41 -64.13 -39.17 1.22 0.00 98.78 0.07 0.05 0.94 98.56 0.38 0.00 0.00 0.00 10 R H H 148.08 2.08 22.21 23.27 91.88 50.05 -68.04 -34.07 8.32 0.00 91.67 0.11 0.21 8.52 90.51 0.64 0.01 0.00 0.00 11 C H H 26.60 14.51 16.60 31.87 98.46 40.34 -100.58 -5.73 48.09 0.03 51.88 1.64 1.43 43.00 52.79 1.11 0.00 0.01 0.02 12 R H H 46.10 20.56 15.99 35.48 92.77 95.24 -59.59 -43.04 3.89 0.02 96.08 1.40 0.37 1.84 95.51 0.85 0.00 0.01 0.01 13 L H H 76.66 7.39 20.92 28.89 91.89 51.67 -63.63 -40.76 0.58 0.00 99.42 0.10 0.05 0.34 99.05 0.47 0.00 0.00 0.00 14 R H H 117.30 3.75 22.94 26.32 91.70 49.75 -64.94 -41.43 0.20 0.00 99.80 0.03 0.01 0.12 99.28 0.55 0.00 0.00 0.00 15 L H H 9.57 20.62 16.88 37.79 92.01 49.95 -64.13 -43.07 0.20 0.00 99.80 0.02 0.01 0.11 99.39 0.46 0.00 0.00 0.00 16 V H H 16.22 20.71 16.91 37.20 91.79 50.01 -65.47 -39.41 0.69 0.00 99.31 0.06 0.04 0.50 98.46 0.94 0.00 0.00 0.00 17 E H H 121.96 3.61 21.35 25.36 92.52 52.69 -68.17 -33.52 8.97 0.00 91.03 0.18 0.26 8.77 89.69 1.10 0.00 0.00 0.00 18 E H H 106.22 5.85 20.83 26.96 95.46 46.49 -88.96 -10.08 41.67 0.02 58.31 1.35 1.45 37.30 58.62 1.26 0.00 0.00 0.02 19 L C C 11.56 24.71 10.95 35.06 111.99 105.20 -77.37 128.34 91.94 0.54 7.52 74.81 12.70 3.61 7.41 0.80 0.00 0.14 0.54 20 Q C C 89.02 5.78 25.37 31.16 106.86 -162.75 -101.82 95.53 96.04 0.50 3.45 94.34 0.99 1.23 2.56 0.37 0.00 0.15 0.35 21 V H H 11.50 24.36 13.60 37.89 94.72 -164.89 -66.26 -31.50 39.90 0.63 59.47 28.90 4.15 7.68 42.45 16.15 0.00 0.31 0.35 22 D H H 85.46 7.73 19.69 28.36 91.67 64.36 -63.39 -33.47 9.95 0.06 89.99 1.24 0.85 6.48 56.05 35.33 0.01 0.03 0.02 23 Q H H 94.85 5.77 21.45 27.40 93.18 49.94 -72.97 -29.94 8.17 0.03 91.80 0.66 0.51 5.86 58.46 34.47 0.00 0.02 0.01 24 L H H 7.64 23.47 16.80 40.06 96.02 46.82 -77.37 -35.01 12.56 0.06 87.37 1.28 0.96 8.78 59.19 29.71 0.01 0.04 0.03 25 W H H 23.76 21.84 17.83 38.96 92.17 58.96 -63.30 -41.95 4.41 0.05 95.55 1.48 0.64 2.19 93.99 1.66 0.00 0.02 0.01 26 D H H 81.64 3.51 24.02 27.15 91.75 52.55 -63.84 -40.16 1.82 0.01 98.17 0.48 0.16 1.05 97.49 0.82 0.00 0.01 0.00 27 A H H 21.48 9.98 20.03 31.63 91.78 51.29 -64.62 -41.42 1.03 0.01 98.96 0.13 0.10 0.70 98.19 0.87 0.00 0.00 0.00 28 L H H 4.39 23.70 14.85 38.90 91.98 49.86 -65.19 -42.29 0.93 0.01 99.06 0.16 0.10 0.61 98.08 1.04 0.00 0.01 0.00 29 L H H 54.64 12.71 16.87 29.88 92.20 49.79 -65.10 -41.20 1.87 0.02 98.11 0.21 0.15 1.44 97.00 1.17 0.01 0.01 0.00 30 S H H 83.40 1.70 19.16 20.42 90.99 54.77 -64.79 -31.67 9.06 0.03 90.91 0.25 0.38 8.97 89.46 0.87 0.03 0.01 0.01 31 R C T 96.31 9.57 14.86 25.69 93.54 50.18 -90.69 4.66 91.47 0.02 8.51 0.28 2.10 88.97 8.13 0.48 0.00 0.01 0.03 32 E C T 139.67 3.51 20.30 24.82 93.71 -119.72 60.10 35.34 99.63 0.01 0.36 0.28 1.87 97.56 0.23 0.04 0.00 0.00 0.00 33 L C S 14.54 20.24 16.39 37.09 95.70 130.40 -83.81 -26.51 99.56 0.36 0.08 16.65 81.99 0.99 0.03 0.03 0.00 0.12 0.20 34 F C S 7.64 24.19 13.04 37.64 131.43 31.88 -132.21 147.73 97.48 2.45 0.07 17.02 80.24 0.18 0.05 0.02 0.00 0.43 2.07 35 R C C 107.27 5.20 22.04 27.14 122.03 -124.78 -84.42 158.53 99.90 0.08 0.02 99.46 0.45 0.02 0.01 0.00 0.00 0.02 0.04 36 P H H 86.53 7.01 15.42 23.87 91.63 -107.72 -57.84 -37.41 4.26 0.01 95.73 0.59 0.54 2.89 94.26 1.72 0.00 0.00 0.00 37 H H H 128.56 1.79 20.47 21.22 91.41 54.75 -64.68 -37.18 2.68 0.01 97.31 0.32 0.22 1.97 95.22 2.26 0.00 0.00 0.00 38 M H H 24.15 16.85 16.05 33.23 92.43 50.85 -66.02 -40.69 1.12 0.01 98.87 0.31 0.11 0.61 96.51 2.45 0.00 0.01 0.00 39 I H H 21.10 19.06 15.34 34.31 91.62 52.22 -62.91 -42.54 0.49 0.00 99.50 0.13 0.05 0.25 98.95 0.62 0.00 0.00 0.00 40 E H H 104.72 2.42 22.66 23.96 91.44 51.02 -63.59 -41.28 0.69 0.00 99.30 0.12 0.05 0.45 98.71 0.68 0.00 0.00 0.00 41 D H H 59.82 6.77 20.66 28.17 91.75 50.15 -64.94 -40.80 1.62 0.00 98.37 0.22 0.11 1.15 97.56 0.96 0.00 0.00 0.00 42 I H H 5.91 24.06 14.16 38.26 91.76 49.92 -65.18 -41.34 2.87 0.01 97.12 0.57 0.29 1.76 96.12 1.25 0.00 0.00 0.00 43 Q H H 87.88 10.36 19.42 29.88 91.88 52.72 -64.27 -38.55 9.03 0.04 90.92 2.31 0.90 5.57 89.03 2.16 0.01 0.02 0.02 44 R H H 159.59 1.73 21.81 22.28 93.02 49.89 -71.16 -31.74 21.09 0.11 78.80 4.82 2.38 13.69 76.00 2.97 0.02 0.05 0.07 45 A H H 36.59 12.89 14.87 28.10 95.26 58.76 -73.18 -24.80 40.81 0.32 58.86 16.17 6.83 18.29 55.31 3.05 0.02 0.11 0.22 46 G C C 28.91 14.51 13.20 26.95 101.41 70.44 -74.63 -10.61 81.12 0.48 18.41 47.99 9.19 23.40 16.09 2.79 0.00 0.19 0.35 47 S C C 83.22 2.70 15.95 19.65 107.86 90.38 -91.49 77.51 91.88 0.57 7.55 51.92 18.91 21.12 5.42 1.97 0.00 0.22 0.44 48 G C S 47.48 3.00 15.59 19.46 123.13 36.45 108.03 -165.09 98.58 0.31 1.11 22.69 68.36 7.72 0.49 0.42 0.00 0.12 0.19 49 S C C 62.03 3.30 18.36 21.45 120.88 -26.02 -87.61 158.63 97.48 0.69 1.83 61.27 34.99 1.12 1.57 0.27 0.00 0.15 0.61 50 R H H 98.75 14.89 13.96 28.28 92.88 -105.79 -59.79 -39.84 4.12 0.01 95.86 1.18 1.16 1.62 95.60 0.43 0.00 0.00 0.01 51 R H H 116.55 9.01 19.14 28.66 92.17 52.59 -63.78 -41.40 2.12 0.01 97.88 0.46 0.28 1.16 97.62 0.47 0.00 0.00 0.00 52 D H H 68.01 4.03 22.58 26.43 91.67 48.00 -65.51 -40.34 1.01 0.00 98.98 0.33 0.11 0.49 98.63 0.44 0.00 0.00 0.00 53 Q H H 26.63 14.96 19.40 34.87 91.88 50.39 -64.28 -41.84 0.42 0.00 99.58 0.13 0.04 0.19 99.48 0.16 0.00 0.00 0.00 54 A H H 5.08 22.32 18.98 41.40 91.19 50.56 -63.35 -42.51 0.30 0.00 99.70 0.06 0.02 0.16 99.68 0.08 0.00 0.00 0.00 55 R H H 102.26 9.12 25.09 34.35 91.52 51.29 -63.17 -41.32 0.19 0.00 99.81 0.03 0.01 0.11 99.79 0.05 0.00 0.00 0.00 56 Q H H 69.75 7.34 26.00 33.92 91.71 50.39 -64.61 -41.83 0.15 0.00 99.85 0.02 0.01 0.10 99.83 0.05 0.00 0.00 0.00 57 L H H 3.55 24.60 21.26 45.66 91.43 49.97 -63.83 -43.66 0.12 0.00 99.88 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 58 I H H 10.41 22.35 21.84 43.48 91.19 49.64 -63.67 -42.90 0.12 0.00 99.88 0.01 0.00 0.08 99.82 0.08 0.00 0.00 0.00 59 I H H 80.34 4.86 26.03 30.94 91.66 49.66 -64.00 -42.13 0.49 0.00 99.51 0.04 0.02 0.36 99.41 0.16 0.00 0.00 0.00 60 D H H 33.02 11.73 22.01 34.41 91.94 49.85 -65.37 -40.85 1.49 0.00 98.51 0.11 0.07 1.13 98.32 0.38 0.00 0.00 0.00 61 L H H 3.35 25.69 15.26 41.33 91.42 51.46 -64.12 -40.55 1.96 0.00 98.04 0.24 0.15 1.35 96.48 1.78 0.00 0.00 0.00 62 E H H 91.00 11.20 19.38 30.53 91.60 53.41 -65.10 -34.43 6.59 0.01 93.40 0.37 0.34 5.62 90.75 2.89 0.01 0.00 0.00 63 T H H 98.91 2.03 21.42 22.75 94.07 50.80 -75.67 -26.92 17.47 0.02 82.51 0.72 1.13 15.34 80.69 2.06 0.02 0.01 0.02 64 R H H 73.88 13.60 14.00 27.65 96.09 53.48 -86.14 -15.86 40.63 0.40 58.97 8.33 14.18 19.13 55.87 1.95 0.07 0.08 0.40 65 G C C 25.20 6.32 17.99 25.90 126.44 -126.98 90.17 -174.52 69.41 0.40 30.18 55.86 4.84 8.34 6.98 23.54 0.00 0.18 0.27 66 S C T 79.39 6.40 16.34 24.06 93.54 -48.01 -70.21 -18.23 54.73 0.13 45.14 1.92 4.49 47.78 7.45 38.15 0.01 0.06 0.14 67 Q C T 111.08 5.26 21.58 27.52 93.65 62.81 -81.70 -5.57 52.42 0.07 47.51 2.56 2.73 46.67 11.95 35.98 0.00 0.03 0.07 68 A H H 5.21 22.34 15.81 38.59 92.45 97.57 -65.03 -35.16 11.92 0.05 88.03 4.81 2.05 5.04 77.88 10.17 0.00 0.02 0.03 69 L H H 17.16 22.22 19.94 41.13 92.08 60.15 -61.63 -42.88 1.31 0.00 98.68 0.25 0.10 0.70 98.54 0.41 0.00 0.00 0.00 70 P H H 64.13 6.60 25.86 33.02 91.29 51.86 -63.70 -39.92 0.50 0.00 99.50 0.05 0.02 0.35 99.21 0.36 0.00 0.00 0.00 71 L H H 38.83 12.86 24.10 37.07 91.81 50.33 -64.96 -41.91 0.10 0.00 99.90 0.01 0.00 0.06 99.79 0.13 0.00 0.00 0.00 72 F H H 2.20 26.75 21.73 48.52 91.45 49.58 -63.90 -43.67 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 73 I H H 20.21 18.42 23.13 41.04 91.07 49.46 -63.06 -43.07 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 74 S H H 50.36 4.23 26.89 31.21 91.41 50.22 -63.61 -42.13 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 75 C H H 8.29 16.24 20.35 37.81 91.43 50.33 -63.47 -43.37 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 76 L H H 5.53 22.45 16.25 39.12 91.32 49.44 -63.64 -42.45 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 77 E H H 98.60 7.53 18.74 27.10 91.71 50.48 -63.73 -40.69 0.79 0.00 99.21 0.06 0.03 0.56 99.20 0.15 0.00 0.00 0.00 78 D H H 104.59 2.58 19.05 22.04 91.01 52.76 -67.12 -27.96 5.99 0.00 94.00 0.12 0.18 5.76 93.73 0.21 0.00 0.00 0.00 79 T C T 48.72 11.81 13.61 26.38 94.33 48.90 -91.78 2.56 77.78 0.01 22.21 0.26 1.35 74.91 23.05 0.41 0.00 0.00 0.01 80 G C T 57.14 1.79 19.73 21.05 94.02 -109.40 80.39 13.29 99.81 0.01 0.18 1.55 2.35 95.97 0.09 0.02 0.00 0.00 0.00 81 Q C C 34.41 16.39 11.66 28.52 102.58 125.86 -103.78 57.07 99.52 0.14 0.34 99.15 0.36 0.16 0.18 0.03 0.00 0.03 0.09 82 D H H 85.20 6.80 17.13 25.72 94.77 150.31 -66.55 -37.75 8.62 0.02 91.36 4.76 1.17 2.72 90.31 1.02 0.00 0.01 0.01 83 M H H 106.30 3.35 22.81 26.02 91.82 55.69 -64.60 -40.65 2.69 0.00 97.30 0.31 0.25 1.97 96.18 1.29 0.00 0.00 0.00 84 L H H 14.31 19.10 18.49 37.62 92.30 49.01 -65.49 -42.10 0.97 0.00 99.03 0.15 0.07 0.64 97.74 1.39 0.00 0.00 0.00 85 A H H 8.35 18.38 16.88 35.99 91.28 52.18 -61.84 -43.00 0.35 0.00 99.65 0.05 0.02 0.21 98.87 0.85 0.00 0.00 0.00 86 S H H 57.73 2.69 23.96 25.54 91.34 50.84 -63.70 -41.31 0.84 0.00 99.16 0.07 0.04 0.64 98.17 1.07 0.00 0.00 0.00 87 F H H 61.10 9.04 20.22 30.43 91.83 50.47 -64.61 -41.74 1.71 0.00 98.28 0.13 0.10 1.38 97.45 0.93 0.00 0.00 0.00 88 L H H 8.62 22.47 14.47 36.94 92.09 49.91 -65.11 -41.00 5.09 0.03 94.88 0.73 0.53 3.68 94.07 0.97 0.01 0.01 0.01 89 R H H 114.56 8.16 18.16 27.00 92.39 51.06 -65.96 -37.51 18.93 0.21 80.86 4.75 2.58 11.52 79.69 1.25 0.02 0.09 0.10 90 T H H 88.95 2.24 17.23 19.09 95.01 49.78 -71.99 -31.63 37.16 0.33 62.50 10.82 6.20 20.06 60.80 1.77 0.03 0.12 0.19 91 N C H 78.75 8.56 12.71 22.24 97.91 52.99 -80.97 -12.20 56.70 0.47 42.83 19.91 9.73 26.75 40.64 2.51 0.02 0.16 0.29 92 R C C 119.05 9.22 11.00 20.94 99.93 70.82 -78.20 -14.41 70.51 0.90 28.59 38.44 14.54 16.81 26.03 3.31 0.00 0.34 0.52 93 Q C C 128.33 2.73 12.30 16.39 104.53 76.19 -80.61 45.24 85.79 0.62 13.59 72.03 2.20 11.36 12.15 1.60 0.00 0.27 0.39 94 A C C 73.18 5.07 12.52 19.10 105.34 -61.51 -74.94 83.56 99.93 0.03 0.05 99.82 0.08 0.07 0.02 0.00 0.00 0.01 0.00