# 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 102.48 7.05 12.88 21.12 114.85 -126.11 -84.35 136.79 99.98 0.01 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.00 0.00 1 A C C 58.69 7.16 10.49 19.07 110.76 -108.34 -69.57 145.41 90.15 0.79 9.06 84.85 0.82 5.38 6.85 1.28 0.00 0.33 0.49 2 N C C 116.41 2.69 11.76 15.81 100.99 -132.64 -84.33 0.21 87.71 1.09 11.19 62.48 16.32 8.29 9.44 2.25 0.00 0.40 0.81 3 I C C 87.16 6.09 10.20 17.91 111.73 80.64 -91.39 132.38 64.16 1.31 34.54 33.55 26.21 4.62 32.95 1.57 0.01 0.34 0.76 4 K H H 140.41 2.38 13.20 16.65 94.22 -110.91 -63.02 -38.59 11.20 0.11 88.69 4.51 2.14 4.93 85.15 3.17 0.02 0.05 0.05 5 S H H 62.11 2.40 14.88 17.58 92.86 51.85 -66.30 -38.71 9.11 0.09 90.80 3.55 1.35 4.44 87.04 3.52 0.01 0.05 0.04 6 A H H 32.86 7.11 12.90 22.21 92.82 52.64 -65.58 -39.92 5.08 0.07 94.85 2.60 0.75 1.96 92.05 2.57 0.00 0.03 0.02 7 I H H 72.69 6.00 14.76 22.33 92.30 51.82 -64.16 -41.62 2.48 0.03 97.49 1.25 0.36 0.90 96.84 0.63 0.00 0.01 0.01 8 K H H 118.89 2.22 17.82 19.75 92.14 50.82 -64.82 -40.97 1.89 0.02 98.09 0.85 0.22 0.74 97.87 0.31 0.00 0.01 0.01 9 R H H 130.17 3.55 17.40 21.47 92.24 50.32 -65.65 -40.36 1.75 0.01 98.23 0.68 0.19 0.75 98.14 0.23 0.00 0.00 0.00 10 V H H 57.08 7.81 15.74 24.94 92.64 50.44 -65.39 -41.39 1.18 0.01 98.81 0.40 0.12 0.49 98.84 0.13 0.00 0.00 0.00 11 K H H 111.65 3.09 18.94 22.04 92.16 50.39 -64.60 -41.11 1.27 0.01 98.72 0.40 0.12 0.55 98.82 0.12 0.00 0.00 0.00 12 T H H 66.17 3.58 18.64 22.43 92.37 49.52 -65.28 -41.63 1.28 0.00 98.71 0.36 0.12 0.58 98.84 0.10 0.00 0.00 0.00 13 T H H 49.65 8.58 16.48 26.25 92.51 50.14 -65.60 -40.83 1.01 0.00 98.99 0.27 0.09 0.44 99.12 0.08 0.00 0.00 0.00 14 E H H 99.40 4.49 18.77 23.78 92.16 50.59 -64.79 -40.93 0.75 0.00 99.25 0.16 0.06 0.35 99.35 0.07 0.00 0.00 0.00 15 K H H 120.06 2.01 20.99 21.76 92.04 49.61 -64.55 -41.29 0.66 0.00 99.34 0.12 0.05 0.33 99.43 0.07 0.00 0.00 0.00 16 A H H 34.58 8.72 16.78 26.95 92.15 50.45 -64.56 -41.08 0.59 0.00 99.40 0.10 0.04 0.30 99.49 0.07 0.00 0.00 0.00 17 E H H 85.82 8.87 17.80 27.42 91.72 51.15 -64.06 -40.87 0.70 0.00 99.30 0.11 0.05 0.37 99.39 0.08 0.00 0.00 0.00 18 A H H 59.98 2.52 20.95 22.45 91.86 50.30 -64.37 -41.02 0.85 0.00 99.15 0.12 0.06 0.49 99.22 0.10 0.00 0.00 0.00 19 R H H 125.71 3.55 20.73 24.32 92.09 49.61 -65.25 -40.70 1.30 0.00 98.69 0.18 0.10 0.81 98.80 0.12 0.00 0.00 0.00 20 N H H 32.18 15.09 15.38 30.85 92.61 50.73 -65.74 -39.71 2.13 0.00 97.87 0.38 0.17 1.24 98.06 0.14 0.00 0.00 0.00 21 I H H 89.46 5.00 20.72 26.12 91.93 51.54 -64.03 -41.26 0.74 0.00 99.26 0.16 0.06 0.35 99.35 0.08 0.00 0.00 0.00 22 S H H 64.50 2.06 23.11 23.35 91.81 49.93 -64.54 -41.35 0.55 0.00 99.45 0.10 0.04 0.28 99.50 0.07 0.00 0.00 0.00 23 Q H H 45.79 13.37 18.78 32.48 91.97 49.17 -65.54 -41.70 0.45 0.00 99.55 0.07 0.03 0.26 99.57 0.07 0.00 0.00 0.00 24 K H H 63.37 15.64 18.42 33.38 91.13 52.22 -62.47 -41.95 0.35 0.00 99.65 0.05 0.02 0.20 99.68 0.05 0.00 0.00 0.00 25 S H H 61.47 2.36 24.41 25.22 91.28 50.22 -63.68 -41.16 0.49 0.00 99.51 0.07 0.03 0.29 99.56 0.05 0.00 0.00 0.00 26 A H H 47.77 5.68 22.83 28.83 91.61 50.12 -64.63 -40.99 0.46 0.00 99.54 0.05 0.03 0.29 99.59 0.05 0.00 0.00 0.00 27 M H H 12.98 22.00 16.34 38.26 91.39 50.48 -64.19 -42.20 0.24 0.00 99.76 0.03 0.01 0.13 99.80 0.03 0.00 0.00 0.00 28 R H H 114.28 8.07 23.00 31.55 91.31 51.37 -62.49 -41.87 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 29 T H H 75.28 2.15 25.68 25.89 91.32 49.50 -64.11 -42.03 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 30 A H H 13.94 15.38 20.03 36.11 91.36 50.24 -64.03 -42.56 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 31 V H H 18.56 19.54 19.18 38.28 91.30 50.05 -63.33 -43.01 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 32 K H H 115.59 2.63 25.78 27.59 91.38 50.35 -63.40 -41.78 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 33 N H H 77.34 4.91 24.75 29.68 91.57 49.12 -65.05 -40.79 0.38 0.00 99.62 0.02 0.01 0.26 99.65 0.05 0.00 0.00 0.00 34 A H H 4.71 22.56 16.20 39.09 91.50 51.28 -63.90 -42.44 0.32 0.00 99.68 0.03 0.02 0.20 99.68 0.07 0.00 0.00 0.00 35 K H H 94.30 9.47 22.78 32.31 91.44 50.93 -63.10 -41.80 0.71 0.00 99.28 0.08 0.04 0.48 99.19 0.20 0.00 0.00 0.00 36 T H H 75.04 1.87 24.30 23.89 91.80 49.71 -64.27 -41.71 1.89 0.00 98.10 0.19 0.14 1.41 97.83 0.43 0.00 0.00 0.00 37 A H H 15.80 11.48 16.02 29.59 91.72 50.72 -64.39 -41.05 3.21 0.01 96.78 0.65 0.37 1.94 96.24 0.78 0.00 0.00 0.01 38 V H H 37.96 15.68 13.66 29.21 92.48 50.59 -65.93 -39.46 7.06 0.04 92.90 1.38 0.77 4.78 91.25 1.76 0.02 0.02 0.02 39 S H H 86.24 1.55 17.47 18.71 92.47 51.72 -69.03 -32.43 13.90 0.04 86.07 1.29 1.40 10.91 84.86 1.49 0.02 0.01 0.02 40 N C H 116.73 1.60 15.64 16.78 98.64 39.48 -92.27 -4.78 52.93 0.09 46.98 4.01 9.82 36.91 47.38 1.76 0.01 0.02 0.09 41 N C C 96.22 4.93 14.16 20.47 102.89 -98.05 57.20 59.96 97.14 0.08 2.78 61.94 5.13 30.39 1.52 0.93 0.00 0.04 0.06 42 A H G 51.57 9.94 10.96 21.99 99.31 170.60 -68.70 -34.49 34.08 0.21 65.70 18.34 4.40 10.66 16.82 49.57 0.00 0.11 0.09 43 D H G 121.36 1.09 17.81 17.76 94.28 54.15 -67.11 -27.70 29.38 0.12 70.50 4.58 3.71 19.39 21.16 51.03 0.00 0.06 0.07 44 N H G 74.13 6.61 15.62 23.51 97.01 46.36 -91.17 -2.07 26.59 0.11 73.30 7.44 2.59 15.10 24.20 50.56 0.00 0.06 0.06 45 K H H 40.24 18.75 11.81 29.88 93.28 95.38 -61.43 -40.90 4.13 0.01 95.86 2.05 0.55 1.35 94.35 1.68 0.00 0.00 0.00 46 N H H 99.88 4.46 20.69 26.19 91.76 52.29 -63.57 -40.41 1.29 0.00 98.71 0.26 0.09 0.73 97.90 1.03 0.00 0.00 0.00 47 E H H 114.79 1.88 24.28 24.26 91.51 49.21 -65.22 -40.98 0.78 0.00 99.22 0.13 0.05 0.49 98.27 1.06 0.00 0.00 0.00 48 L H H 20.24 16.72 18.76 35.76 91.87 49.80 -64.79 -42.73 0.57 0.00 99.43 0.09 0.04 0.35 99.14 0.39 0.00 0.00 0.00 49 V H H 13.56 21.35 18.72 39.64 91.52 50.71 -62.83 -43.07 0.20 0.00 99.80 0.03 0.01 0.10 99.81 0.05 0.00 0.00 0.00 50 S H H 57.76 3.91 25.77 29.45 91.27 50.77 -63.33 -41.86 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 51 L H H 70.16 5.81 25.47 31.61 91.52 49.22 -64.37 -41.90 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.03 0.00 0.00 0.00 52 A H H 2.85 24.02 18.60 42.86 91.53 50.22 -63.76 -43.21 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 53 V H H 36.73 15.88 22.73 37.89 91.37 50.85 -63.00 -42.49 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 54 K H H 121.39 2.05 27.10 27.85 91.30 50.50 -63.44 -42.06 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 55 L H H 38.20 12.86 23.17 36.23 91.59 49.01 -64.54 -42.39 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 56 V H H 3.88 25.18 17.85 43.21 91.34 49.53 -63.64 -42.83 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 57 D H H 64.05 7.52 24.07 31.89 91.35 50.94 -63.16 -41.79 0.19 0.00 99.81 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 58 K H H 105.10 2.97 25.29 27.37 91.88 49.44 -64.82 -41.08 0.30 0.00 99.70 0.02 0.01 0.21 99.70 0.06 0.00 0.00 0.00 59 A H H 7.11 16.66 16.48 34.51 91.78 50.78 -64.50 -41.16 0.59 0.00 99.41 0.05 0.04 0.41 99.32 0.18 0.00 0.00 0.00 60 A H H 26.30 14.14 15.50 30.14 91.87 51.92 -63.77 -41.18 1.82 0.00 98.17 0.14 0.10 1.46 97.79 0.51 0.00 0.00 0.00 61 Q H H 139.88 1.24 19.61 19.81 90.92 53.02 -65.14 -30.74 8.12 0.01 91.87 0.20 0.30 7.91 91.12 0.46 0.01 0.00 0.00 62 S C T 60.01 5.68 15.01 22.16 93.54 52.98 -86.85 -0.63 91.67 0.02 8.32 0.27 2.50 88.57 8.22 0.41 0.00 0.00 0.02 63 N C T 124.36 2.59 17.58 21.19 92.87 -117.15 67.04 25.20 99.78 0.00 0.22 0.28 3.37 96.23 0.08 0.04 0.00 0.00 0.00 64 L C S 49.68 13.30 16.21 30.09 95.80 123.21 -82.38 -28.89 99.85 0.11 0.04 4.51 94.47 0.93 0.01 0.01 0.00 0.03 0.04 65 I C S 12.01 21.78 11.69 33.38 134.13 21.49 -137.18 150.11 97.53 2.41 0.06 8.37 89.16 0.40 0.02 0.01 0.00 0.42 1.61 66 H C C 103.08 3.32 21.78 24.35 116.45 -103.05 -70.12 150.61 99.63 0.30 0.07 99.17 0.52 0.04 0.04 0.01 0.00 0.11 0.11 67 S H H 66.91 9.59 13.52 24.16 91.43 -113.42 -58.21 -38.36 16.91 0.04 83.05 1.52 1.87 13.21 76.41 6.93 0.03 0.01 0.03 68 N H H 114.78 1.12 20.88 19.79 91.65 52.73 -64.82 -38.73 14.16 0.03 85.81 0.97 1.15 11.69 80.01 6.14 0.02 0.01 0.02 69 K H H 80.91 7.78 19.59 28.02 92.47 48.25 -66.77 -39.56 5.36 0.03 94.60 1.31 0.68 3.19 90.07 4.72 0.00 0.01 0.01 70 A H H 4.70 21.99 12.31 34.58 91.37 52.25 -62.84 -42.83 1.49 0.01 98.50 0.41 0.17 0.75 97.93 0.73 0.00 0.00 0.00 71 D H H 78.91 4.72 21.79 26.82 91.65 51.44 -63.77 -40.88 0.77 0.00 99.23 0.18 0.07 0.38 99.05 0.32 0.00 0.00 0.00 72 R H H 136.75 1.92 23.44 23.68 92.01 49.73 -64.79 -41.77 0.51 0.00 99.49 0.09 0.04 0.27 99.40 0.20 0.00 0.00 0.00 73 I H H 35.19 15.35 18.71 34.08 91.92 48.68 -65.03 -41.95 0.51 0.00 99.49 0.09 0.04 0.28 99.45 0.14 0.00 0.00 0.00 74 K H H 57.42 16.79 18.28 34.22 91.61 51.60 -62.72 -42.31 1.05 0.00 98.95 0.22 0.09 0.58 98.93 0.18 0.00 0.00 0.00 75 S H H 60.50 2.40 23.13 24.15 91.25 50.60 -63.61 -40.83 3.05 0.01 96.94 0.65 0.25 1.85 96.78 0.47 0.00 0.00 0.01 76 Q H H 87.54 4.75 21.66 26.63 91.98 49.93 -65.60 -41.07 5.03 0.02 94.96 0.93 0.43 3.39 94.38 0.84 0.00 0.00 0.01 77 L H H 15.46 19.45 14.41 34.09 92.31 50.41 -64.91 -41.82 5.78 0.05 94.17 1.85 0.73 3.17 92.45 1.74 0.00 0.02 0.03 78 M H H 77.31 7.93 17.79 26.69 92.33 51.59 -64.78 -39.61 9.16 0.16 90.68 4.35 1.37 3.65 87.34 3.13 0.01 0.09 0.06 79 T H H 91.43 1.80 18.15 19.08 93.01 51.56 -67.46 -37.05 17.56 0.19 82.26 6.04 2.09 9.32 78.14 4.22 0.01 0.10 0.09 80 A H H 52.01 8.56 13.20 22.94 94.23 55.29 -70.29 -28.82 29.41 0.21 70.39 7.90 3.43 18.06 66.91 3.47 0.02 0.09 0.13 81 N C H 75.04 10.28 10.79 21.57 99.20 56.06 -85.19 -2.59 55.64 0.28 44.08 29.65 1.73 23.27 43.12 1.93 0.00 0.10 0.21 82 K C C 151.48 2.55 14.81 18.53 101.81 83.92 -65.28 38.86 99.97 0.01 0.02 99.86 0.04 0.07 0.01 0.00 0.00 0.00 0.00