# 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 S C C 68.45 4.73 12.26 18.44 115.07 -151.33 -91.77 143.15 99.93 0.03 0.05 99.84 0.07 0.05 0.02 0.00 0.00 0.01 0.00 1 N C C 111.09 2.99 9.90 14.41 103.55 -135.38 -81.52 -0.91 69.35 0.84 29.82 61.54 1.25 6.74 27.23 2.42 0.00 0.37 0.45 2 A H H 77.16 2.43 9.76 13.58 97.72 83.08 -70.47 -31.16 48.11 0.96 50.93 30.39 7.49 11.21 45.06 4.95 0.01 0.45 0.45 3 M H H 118.60 2.67 10.40 14.28 97.02 57.99 -71.99 -31.13 42.63 0.93 56.44 27.82 7.06 8.83 50.54 4.90 0.01 0.43 0.41 4 D H H 85.48 3.16 11.89 16.24 97.50 56.12 -72.68 -33.63 39.50 0.58 59.92 28.92 5.44 5.70 56.11 3.34 0.00 0.24 0.25 5 T H H 82.81 3.54 12.05 16.67 95.17 53.41 -68.46 -37.36 15.62 0.15 84.23 9.11 3.27 3.67 82.36 1.47 0.00 0.05 0.06 6 E H H 118.27 2.28 14.12 16.81 93.50 54.21 -66.73 -38.97 6.91 0.07 93.02 3.33 1.25 2.50 91.78 1.08 0.00 0.03 0.03 7 A H H 55.34 3.07 14.61 18.42 92.47 51.06 -65.25 -41.06 4.61 0.07 95.32 2.21 0.64 1.85 94.27 0.96 0.00 0.03 0.03 8 L H H 78.78 4.04 14.84 19.98 92.54 49.73 -65.27 -41.12 2.09 0.02 97.89 0.83 0.28 0.92 97.46 0.50 0.00 0.01 0.00 9 A H H 47.34 4.18 14.99 20.40 91.69 51.00 -64.00 -41.20 1.33 0.01 98.66 0.40 0.14 0.65 98.55 0.26 0.00 0.00 0.00 10 N H H 88.86 2.35 16.98 19.14 92.16 50.15 -65.26 -39.87 1.39 0.00 98.61 0.36 0.13 0.75 98.56 0.20 0.00 0.00 0.00 11 Y H H 114.08 2.99 16.06 19.54 92.08 50.73 -64.73 -42.20 0.70 0.00 99.30 0.19 0.07 0.36 99.27 0.11 0.00 0.00 0.00 12 L H H 81.82 3.86 15.69 20.36 91.99 49.39 -64.59 -41.99 0.44 0.00 99.55 0.11 0.04 0.22 99.56 0.07 0.00 0.00 0.00 13 L H H 88.82 2.98 15.72 19.18 91.86 49.54 -64.71 -41.23 0.39 0.00 99.60 0.09 0.03 0.20 99.60 0.07 0.00 0.00 0.00 14 R H H 140.70 1.83 16.64 18.01 92.11 50.10 -64.82 -41.10 0.52 0.00 99.48 0.10 0.04 0.30 99.46 0.09 0.00 0.00 0.00 15 Q H H 96.93 2.80 16.20 19.31 92.28 49.71 -65.04 -41.33 0.99 0.00 99.01 0.16 0.08 0.63 98.97 0.15 0.00 0.00 0.00 16 L H H 82.58 3.49 15.59 19.84 92.29 49.74 -64.74 -41.00 1.83 0.01 98.16 0.36 0.18 1.10 98.07 0.28 0.00 0.00 0.00 17 S H H 57.32 2.73 16.29 19.34 92.08 50.50 -64.87 -40.33 4.20 0.02 95.79 1.05 0.45 2.40 95.48 0.60 0.00 0.01 0.01 18 L H H 88.21 2.64 16.23 19.06 92.44 50.86 -65.36 -40.59 6.61 0.04 93.35 1.62 0.84 3.96 92.43 1.11 0.01 0.01 0.02 19 D H H 80.02 2.67 16.10 19.06 92.36 50.79 -65.38 -40.03 8.44 0.06 91.51 2.78 1.26 4.44 90.07 1.39 0.01 0.03 0.03 20 A H H 56.06 2.78 15.34 18.71 92.56 50.78 -65.28 -40.78 11.36 0.11 88.53 4.89 1.91 4.85 86.62 1.62 0.01 0.05 0.05 21 E H H 107.96 2.21 15.87 18.01 92.45 49.95 -66.18 -39.64 14.87 0.17 84.96 7.16 2.48 5.78 82.61 1.81 0.01 0.07 0.08 22 E H H 105.19 2.51 15.35 18.20 92.51 51.00 -65.23 -39.59 14.62 0.12 85.27 5.64 2.38 6.74 83.09 2.02 0.01 0.05 0.05 23 N H H 87.33 2.28 15.26 17.65 93.05 50.86 -66.15 -39.15 22.19 0.14 77.67 7.77 3.01 10.89 76.28 1.91 0.01 0.06 0.07 24 K H H 117.54 2.08 15.65 17.56 92.94 51.62 -65.99 -40.17 21.90 0.20 77.90 10.92 2.97 8.00 76.17 1.76 0.01 0.09 0.09 25 L H H 87.28 2.88 14.86 18.39 92.53 50.30 -65.67 -41.09 7.15 0.07 92.78 3.82 1.22 2.27 91.62 1.02 0.00 0.03 0.02 26 E H H 106.93 2.03 15.60 17.53 92.00 50.62 -64.48 -41.13 3.97 0.04 95.99 1.88 0.58 1.55 95.05 0.91 0.00 0.02 0.01 27 D H H 82.49 1.87 15.84 17.29 92.19 50.04 -65.45 -40.24 3.51 0.04 96.45 1.57 0.50 1.51 95.46 0.94 0.00 0.02 0.01 28 L H H 85.03 2.48 14.90 17.80 92.06 50.32 -65.05 -41.31 2.52 0.03 97.45 0.98 0.38 1.17 96.71 0.73 0.00 0.01 0.01 29 L H H 88.65 2.42 14.63 17.52 92.23 50.15 -64.85 -40.93 2.86 0.03 97.10 1.03 0.42 1.40 96.35 0.76 0.01 0.02 0.01 30 Q H H 105.88 1.72 15.06 16.46 92.13 50.66 -64.96 -40.29 4.82 0.04 95.13 1.51 0.64 2.63 94.10 1.07 0.01 0.02 0.02 31 R H H 139.29 1.60 14.69 15.92 92.54 50.22 -65.97 -39.69 8.09 0.06 91.84 2.31 1.13 4.64 90.38 1.47 0.01 0.03 0.03 32 Q H H 103.36 2.27 13.82 16.51 92.85 50.84 -66.00 -39.32 13.96 0.11 85.93 4.40 2.11 7.48 84.08 1.80 0.02 0.05 0.05 33 N H H 94.30 2.23 13.44 16.17 93.77 51.70 -68.80 -35.77 22.27 0.17 77.57 8.72 3.51 10.36 74.94 2.30 0.01 0.07 0.09 34 E H H 113.66 2.14 13.45 16.07 93.65 54.06 -66.46 -38.72 25.15 0.23 74.62 11.18 4.63 10.08 69.66 4.23 0.02 0.10 0.11 35 D H H 95.04 2.01 13.73 15.97 94.40 51.85 -67.93 -36.70 31.72 0.32 67.96 16.14 4.77 11.29 62.98 4.51 0.01 0.15 0.15 36 Q H H 107.12 2.92 12.89 16.80 94.50 54.06 -69.22 -36.85 35.56 0.47 63.97 19.52 5.80 11.30 58.02 4.92 0.01 0.21 0.22 37 E H H 111.85 2.74 13.53 17.09 94.52 54.20 -68.19 -38.30 39.01 0.44 60.54 21.21 7.38 11.03 55.90 4.06 0.01 0.19 0.21 38 S H H 64.43 2.79 13.64 17.14 95.28 53.48 -68.90 -36.64 49.04 0.34 50.62 26.21 8.43 13.93 47.66 3.45 0.01 0.14 0.19 39 S H H 63.07 3.10 13.25 17.29 95.43 54.87 -69.27 -37.18 49.07 0.28 50.65 30.18 9.09 8.97 48.14 3.37 0.00 0.10 0.15 40 Q H H 105.15 2.76 13.52 17.10 94.12 54.77 -67.18 -38.31 30.61 0.20 69.19 14.86 5.41 10.17 66.14 3.23 0.01 0.08 0.10 41 E H H 110.63 2.58 14.62 17.71 93.48 53.04 -66.58 -39.43 21.44 0.12 78.44 11.03 2.98 7.21 76.07 2.60 0.00 0.05 0.06 42 Y H H 125.91 2.80 14.95 18.36 92.88 51.70 -65.75 -40.60 7.46 0.05 92.49 3.80 1.20 2.58 90.69 1.69 0.00 0.02 0.02 43 N H H 79.31 3.35 15.29 19.54 92.50 51.33 -65.31 -40.06 4.13 0.03 95.84 1.97 0.57 1.60 94.70 1.12 0.00 0.01 0.01 44 K H H 109.70 3.65 15.94 20.45 92.43 50.85 -65.25 -40.25 2.36 0.03 97.61 1.00 0.33 1.01 96.79 0.84 0.00 0.01 0.00 45 K H H 112.09 3.66 16.30 20.78 92.32 51.00 -64.30 -40.85 1.94 0.03 98.03 0.77 0.27 0.90 97.33 0.70 0.00 0.02 0.01 46 L H H 91.44 2.90 16.97 20.18 92.05 50.15 -64.75 -41.33 2.05 0.05 97.90 0.76 0.28 1.03 97.13 0.75 0.01 0.03 0.01 47 L H H 90.05 3.16 17.26 20.82 91.98 50.05 -64.60 -41.84 2.62 0.06 97.32 0.82 0.33 1.44 96.46 0.89 0.01 0.03 0.01 48 L H H 82.28 5.06 16.73 22.69 92.23 49.26 -65.44 -40.65 4.89 0.07 95.04 1.17 0.55 3.02 94.01 1.17 0.01 0.03 0.02 49 A H H 50.99 5.14 16.69 22.92 92.14 51.26 -65.29 -39.57 13.07 0.08 86.85 2.29 1.18 9.29 85.64 1.50 0.02 0.03 0.04 50 C H H 70.66 3.05 17.88 21.02 93.01 51.35 -66.22 -39.44 23.53 0.19 76.28 4.66 2.69 16.01 74.78 1.65 0.02 0.08 0.11 51 G H H 33.99 4.35 18.22 23.20 93.66 50.80 -65.02 -40.88 19.04 0.20 80.76 5.68 2.55 10.68 79.73 1.16 0.02 0.08 0.11 52 F H H 81.74 9.23 17.21 27.20 92.87 50.74 -65.71 -41.30 5.32 0.08 94.60 2.30 0.72 2.29 94.06 0.56 0.00 0.03 0.03 53 Q H H 80.63 6.95 18.39 26.19 92.19 51.64 -64.27 -41.41 1.27 0.02 98.71 0.55 0.15 0.53 98.56 0.21 0.00 0.00 0.00 54 A H H 52.92 2.99 20.20 22.89 91.59 50.55 -64.02 -41.39 0.74 0.01 99.26 0.27 0.07 0.35 99.14 0.17 0.00 0.00 0.00 55 I H H 67.19 6.47 19.22 26.67 91.85 49.96 -64.26 -42.36 0.43 0.00 99.57 0.13 0.03 0.21 99.52 0.11 0.00 0.00 0.00 56 L H H 41.86 13.68 17.05 31.17 91.81 51.09 -63.83 -42.04 0.22 0.00 99.77 0.05 0.01 0.12 99.76 0.05 0.00 0.00 0.00 57 R H H 121.73 5.00 20.14 25.81 91.45 51.66 -63.24 -41.33 0.20 0.00 99.80 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 58 K H H 111.32 2.76 21.96 23.92 91.92 49.83 -64.78 -41.07 0.27 0.00 99.73 0.03 0.01 0.18 99.74 0.03 0.00 0.00 0.00 59 I H H 43.37 11.30 18.92 31.13 91.95 49.31 -64.52 -42.89 0.22 0.00 99.78 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 60 L H H 41.35 13.74 17.95 32.08 91.81 50.15 -63.32 -42.38 0.18 0.00 99.82 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 61 L H H 87.74 2.91 22.52 24.55 91.56 49.68 -63.88 -42.27 0.36 0.00 99.64 0.04 0.02 0.24 99.66 0.04 0.00 0.00 0.00 62 D H H 73.37 3.50 22.58 25.55 91.74 48.81 -64.67 -41.63 0.73 0.00 99.27 0.08 0.04 0.50 99.32 0.06 0.00 0.00 0.00 63 A H H 11.62 15.53 15.96 32.70 91.70 50.92 -64.12 -41.69 0.57 0.00 99.43 0.07 0.03 0.35 99.50 0.05 0.00 0.00 0.00 64 R H H 101.87 9.50 19.23 29.19 91.57 51.45 -63.12 -41.33 0.43 0.00 99.57 0.06 0.03 0.22 99.65 0.04 0.00 0.00 0.00 65 T H H 77.35 1.74 22.28 21.77 91.74 49.76 -64.18 -42.15 0.49 0.00 99.50 0.08 0.03 0.25 99.59 0.05 0.00 0.00 0.00 66 R H H 103.14 4.87 19.45 24.76 92.18 48.84 -65.62 -41.05 0.45 0.00 99.55 0.06 0.04 0.25 99.60 0.06 0.00 0.00 0.00 67 A H H 11.38 13.44 11.52 26.76 91.56 51.14 -63.31 -42.04 0.68 0.00 99.31 0.12 0.06 0.37 99.32 0.13 0.00 0.00 0.00 68 T H H 88.83 2.69 15.42 18.86 92.08 49.90 -64.81 -40.71 1.21 0.00 98.78 0.15 0.07 0.83 98.60 0.36 0.00 0.00 0.00 69 A H H 87.11 1.17 14.42 15.19 91.25 53.56 -66.46 -29.90 6.54 0.01 93.46 0.18 0.24 6.09 93.05 0.43 0.00 0.00 0.00 70 E C T 116.86 3.59 12.14 17.12 94.56 48.32 -91.12 2.70 76.87 0.01 23.12 0.30 0.95 75.09 23.11 0.53 0.00 0.00 0.01 71 G C T 61.39 0.93 14.79 14.89 95.64 -103.70 83.24 10.83 99.70 0.00 0.29 1.02 1.31 97.47 0.15 0.04 0.00 0.00 0.00 72 L C C 61.06 9.87 7.94 18.92 117.66 134.83 -93.59 140.81 98.47 0.63 0.90 93.49 4.04 1.04 0.28 0.51 0.00 0.27 0.37 73 R C S 183.16 1.59 15.28 17.35 97.89 -164.15 -90.53 -11.18 98.49 0.74 0.76 26.04 67.88 4.68 0.15 0.58 0.00 0.48 0.19 74 E C S 117.92 3.09 19.28 23.04 125.17 54.27 -121.50 143.32 88.64 10.18 1.18 33.14 51.82 4.44 0.28 0.90 0.00 7.42 2.02 75 V C C 29.91 20.03 10.22 29.46 113.81 -130.96 -89.76 123.81 87.22 12.18 0.60 77.70 8.42 0.35 0.37 0.20 0.00 5.09 7.87 76 Y C C 99.51 4.80 21.42 26.30 127.73 -171.49 -111.47 159.45 99.61 0.27 0.12 98.91 0.77 0.03 0.10 0.01 0.00 0.11 0.07 77 P H H 71.96 9.40 14.70 25.24 91.61 -109.25 -58.13 -37.05 2.98 0.00 97.02 0.32 0.24 2.21 95.98 1.25 0.00 0.00 0.00 78 Y H H 147.69 1.89 20.06 20.98 91.47 55.19 -63.92 -39.00 1.27 0.00 98.72 0.11 0.07 1.00 97.56 1.26 0.00 0.00 0.00 79 H H H 41.73 13.06 16.59 30.46 92.14 50.00 -65.57 -40.82 0.44 0.00 99.56 0.07 0.03 0.29 98.34 1.27 0.00 0.00 0.00 80 I H H 24.28 18.16 15.69 33.67 92.26 49.96 -63.94 -42.77 0.19 0.00 99.81 0.04 0.01 0.10 99.72 0.13 0.00 0.00 0.00 81 E H H 100.80 3.62 22.44 25.84 91.54 50.09 -63.56 -41.75 0.19 0.00 99.81 0.04 0.01 0.10 99.81 0.04 0.00 0.00 0.00 82 A H H 49.72 3.59 22.20 25.52 91.42 49.71 -64.41 -41.72 0.16 0.00 99.84 0.02 0.00 0.09 99.85 0.03 0.00 0.00 0.00 83 A H H 11.65 15.97 16.51 33.49 91.66 50.62 -64.06 -42.25 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 84 T H H 45.82 11.09 18.83 30.53 91.67 50.88 -63.49 -41.73 0.29 0.00 99.71 0.04 0.01 0.16 99.73 0.05 0.00 0.00 0.00 85 Q H H 107.52 1.91 21.39 21.84 91.77 50.22 -64.11 -41.22 0.61 0.00 99.39 0.07 0.03 0.38 99.40 0.12 0.00 0.00 0.00 86 A H H 41.32 5.76 16.77 24.08 91.83 50.66 -64.28 -41.05 1.32 0.00 98.67 0.15 0.08 0.90 98.52 0.35 0.00 0.00 0.00 87 F H H 60.74 11.96 13.27 26.07 92.47 49.43 -65.65 -40.45 2.90 0.01 97.09 0.41 0.22 1.97 96.65 0.73 0.00 0.00 0.00 88 L H H 95.66 4.26 13.61 19.26 92.58 51.20 -67.60 -34.14 10.53 0.03 89.44 1.45 0.95 7.60 88.81 1.15 0.01 0.01 0.02 89 D H H 113.47 1.33 12.92 14.28 94.89 54.75 -75.81 -15.86 39.10 0.13 60.76 5.59 3.38 29.05 60.44 1.39 0.01 0.04 0.09 90 S C C 70.06 5.03 8.74 15.40 100.86 71.04 -81.23 -3.26 70.74 0.24 29.02 37.58 1.75 28.71 30.50 1.21 0.00 0.08 0.16 91 Q C C 130.28 3.10 11.42 16.15 104.64 106.57 -82.44 49.64 99.97 0.01 0.02 99.88 0.05 0.05 0.01 0.00 0.00 0.00 0.00