# 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 98.19 7.37 12.49 21.10 117.00 -126.90 -87.29 138.78 99.99 0.01 0.00 99.93 0.06 0.01 0.00 0.00 0.00 0.00 0.00 1 P C C 73.28 6.71 10.77 19.08 110.62 -107.52 -67.25 148.20 89.83 0.35 9.82 83.34 0.80 7.09 6.57 1.81 0.00 0.15 0.24 2 N C C 116.04 2.80 11.06 15.40 102.72 -131.07 -83.10 11.02 85.42 0.88 13.70 57.14 15.39 12.69 10.36 3.36 0.00 0.32 0.73 3 I C C 91.03 5.64 9.98 17.24 110.60 82.82 -89.47 118.75 62.44 1.43 36.13 33.95 24.10 5.65 32.47 2.55 0.01 0.40 0.87 4 K H H 138.83 2.51 12.72 16.37 94.61 -113.54 -64.34 -37.55 15.36 0.23 84.42 6.80 3.01 6.29 77.84 5.81 0.02 0.11 0.11 5 S H H 63.09 2.51 14.28 17.27 93.62 52.42 -67.32 -37.25 12.43 0.17 87.39 5.20 1.95 5.68 81.00 5.99 0.01 0.09 0.07 6 A H H 37.19 6.49 12.43 21.05 93.04 53.42 -65.72 -39.28 8.65 0.18 91.16 4.73 1.41 3.09 85.56 5.03 0.01 0.11 0.07 7 I H H 74.86 5.75 14.22 21.51 92.76 52.45 -65.07 -41.19 6.32 0.18 93.50 3.71 1.13 2.11 90.79 2.09 0.00 0.10 0.06 8 K H H 119.47 2.35 16.93 19.28 92.55 50.78 -65.36 -40.52 6.63 0.18 93.19 3.75 1.04 2.34 91.00 1.70 0.01 0.10 0.06 9 R H H 131.46 3.45 16.52 20.66 92.59 50.45 -66.20 -39.51 7.95 0.17 91.88 4.08 1.22 3.09 89.71 1.75 0.01 0.09 0.07 10 T H H 56.30 7.60 14.90 23.69 93.10 50.60 -67.09 -39.77 10.31 0.15 89.55 4.94 1.63 4.01 87.62 1.66 0.01 0.07 0.06 11 K H H 117.53 3.29 17.93 21.53 93.32 51.25 -67.11 -38.51 17.74 0.18 82.08 7.53 2.74 7.26 80.85 1.45 0.01 0.07 0.09 12 T H H 65.11 4.04 17.06 21.73 94.76 50.52 -69.15 -38.97 32.16 0.22 67.61 15.07 4.85 11.13 67.50 1.24 0.00 0.07 0.13 13 N H H 58.38 8.48 14.64 24.49 94.06 55.81 -65.93 -40.75 24.20 0.13 75.67 15.39 3.53 4.21 75.93 0.83 0.00 0.04 0.06 14 N H H 90.37 3.63 17.37 21.43 93.13 51.48 -65.54 -40.01 8.05 0.04 91.91 3.71 1.30 2.79 91.44 0.72 0.00 0.01 0.02 15 E H H 112.48 2.19 18.76 20.29 92.55 50.21 -65.53 -40.76 3.69 0.02 96.29 1.43 0.54 1.57 95.88 0.57 0.00 0.01 0.01 16 R H H 95.99 9.22 16.24 26.32 92.26 50.27 -65.12 -40.68 2.21 0.01 97.78 0.81 0.29 0.97 97.52 0.41 0.00 0.00 0.00 17 R H H 109.95 8.23 17.15 26.19 92.11 51.37 -63.96 -40.85 1.70 0.01 98.29 0.54 0.20 0.77 98.20 0.28 0.00 0.00 0.00 18 V H H 85.49 2.09 21.12 21.76 91.83 49.67 -64.43 -41.94 1.41 0.01 98.59 0.38 0.15 0.69 98.55 0.22 0.00 0.00 0.00 19 H H H 93.38 5.10 20.24 25.81 92.09 49.25 -65.14 -41.43 1.63 0.00 98.36 0.36 0.16 0.89 98.40 0.19 0.00 0.00 0.00 20 N H H 29.91 16.30 15.80 32.21 92.02 50.17 -64.89 -39.96 2.01 0.00 97.98 0.41 0.19 1.16 98.08 0.16 0.00 0.00 0.00 21 A H H 54.72 5.25 20.97 26.62 91.80 51.60 -64.13 -40.79 0.88 0.00 99.12 0.21 0.09 0.44 99.17 0.09 0.00 0.00 0.00 22 T H H 79.28 2.15 23.47 23.90 91.92 49.63 -64.98 -41.63 0.59 0.00 99.41 0.13 0.05 0.31 99.43 0.07 0.00 0.00 0.00 23 I H H 32.59 14.96 18.87 34.09 92.05 48.72 -64.89 -42.28 0.35 0.00 99.65 0.06 0.03 0.20 99.65 0.06 0.00 0.00 0.00 24 K H H 58.37 16.40 18.88 34.47 91.28 51.57 -62.42 -42.36 0.25 0.00 99.75 0.04 0.02 0.14 99.75 0.04 0.00 0.00 0.00 25 S H H 61.46 2.43 24.63 25.61 91.24 50.11 -63.80 -41.01 0.33 0.00 99.67 0.04 0.02 0.20 99.69 0.04 0.00 0.00 0.00 26 A H H 46.26 5.97 22.95 29.36 91.61 49.95 -64.72 -41.01 0.35 0.00 99.65 0.03 0.02 0.23 99.69 0.04 0.00 0.00 0.00 27 M H H 10.29 23.06 16.35 39.42 91.66 50.54 -64.66 -42.56 0.24 0.00 99.76 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 28 R H H 111.00 9.01 22.84 32.15 91.24 51.46 -62.53 -41.91 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 29 T H H 75.16 2.05 25.71 25.72 91.34 49.40 -63.98 -41.73 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 30 A H H 13.01 15.36 19.99 36.12 91.44 50.31 -64.17 -42.19 0.12 0.00 99.88 0.01 0.01 0.07 99.90 0.02 0.00 0.00 0.00 31 I H H 18.94 20.72 18.80 39.03 91.40 50.91 -62.78 -42.92 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 K H H 119.00 2.78 25.17 27.46 91.32 50.71 -63.56 -41.39 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 Q H H 94.06 4.45 24.71 29.20 91.87 49.36 -65.14 -41.05 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 34 V H H 5.77 23.22 16.82 40.25 91.56 49.65 -64.22 -43.24 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 35 E H H 78.17 11.86 22.26 33.68 91.28 50.79 -62.58 -41.80 0.19 0.00 99.81 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 36 A H H 56.61 2.13 24.03 24.35 91.49 50.23 -63.88 -42.02 0.48 0.00 99.52 0.03 0.02 0.36 99.49 0.10 0.00 0.00 0.00 37 S H H 17.30 10.23 17.22 29.62 91.86 49.98 -64.43 -41.13 1.18 0.00 98.81 0.13 0.09 0.81 98.66 0.30 0.00 0.00 0.00 38 V H H 23.80 18.20 13.37 31.29 92.36 50.28 -65.00 -41.48 2.69 0.01 97.30 0.39 0.23 1.88 96.73 0.76 0.01 0.00 0.00 39 A H H 79.20 2.87 17.74 21.44 91.21 54.07 -65.15 -30.62 7.96 0.01 92.03 0.34 0.44 6.98 91.62 0.59 0.01 0.00 0.00 40 N C T 110.70 1.63 16.72 17.71 93.22 47.41 -90.33 3.70 84.71 0.02 15.28 0.61 2.29 80.56 15.90 0.62 0.00 0.00 0.02 41 N C T 111.38 5.88 13.87 21.77 92.98 -118.69 61.69 32.97 99.37 0.01 0.62 2.55 2.72 94.22 0.42 0.08 0.00 0.00 0.00 42 E C C 87.63 5.11 16.68 23.30 104.80 146.07 -97.43 82.45 98.89 0.17 0.94 98.11 0.67 0.36 0.59 0.09 0.00 0.04 0.13 43 A H H 40.68 15.21 12.66 27.78 94.39 168.94 -64.81 -37.11 6.04 0.01 93.94 2.84 0.82 2.31 92.83 1.19 0.00 0.01 0.01 44 D H H 108.75 1.39 22.00 21.91 91.81 52.97 -64.26 -41.07 2.76 0.00 97.23 0.38 0.27 1.92 96.20 1.24 0.00 0.00 0.00 45 K H H 101.60 4.51 21.76 26.37 92.06 47.58 -66.49 -39.12 1.39 0.00 98.61 0.25 0.12 0.87 97.61 1.14 0.00 0.00 0.00 46 A H H 4.79 22.39 13.13 35.74 91.48 52.42 -63.67 -41.73 0.79 0.00 99.21 0.20 0.07 0.37 98.99 0.37 0.00 0.00 0.00 47 K H H 94.30 10.48 22.60 32.89 91.50 52.91 -62.60 -41.96 0.52 0.00 99.48 0.09 0.03 0.27 99.45 0.15 0.00 0.00 0.00 48 T H H 80.42 1.87 26.62 26.39 91.37 49.83 -63.83 -41.70 0.77 0.00 99.23 0.07 0.03 0.55 99.18 0.17 0.00 0.00 0.00 49 A H H 15.52 14.72 21.13 36.40 91.60 50.11 -64.43 -42.34 0.73 0.00 99.27 0.07 0.03 0.50 99.28 0.12 0.00 0.00 0.00 50 L H H 9.10 23.87 18.64 42.15 91.58 51.33 -63.00 -42.97 0.17 0.00 99.83 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 51 T H H 68.05 5.69 25.90 31.89 91.31 50.21 -63.66 -42.07 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 52 E H H 94.66 3.74 27.06 30.57 91.43 49.42 -64.19 -42.18 0.09 0.00 99.91 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 53 A H H 3.97 22.05 19.50 41.84 91.31 50.00 -63.47 -43.05 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 54 A H H 20.23 17.61 21.73 38.74 91.33 51.68 -62.75 -42.07 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 55 K H H 122.59 2.13 26.80 27.81 91.41 50.64 -63.80 -41.63 0.15 0.00 99.85 0.00 0.00 0.14 99.85 0.01 0.00 0.00 0.00 56 R H H 82.39 10.52 24.13 34.65 91.70 48.72 -64.93 -41.57 0.24 0.00 99.76 0.01 0.01 0.19 99.76 0.02 0.00 0.00 0.00 57 I H H 4.87 25.05 17.58 42.78 91.55 49.07 -64.20 -42.56 0.18 0.00 99.82 0.02 0.01 0.12 99.77 0.08 0.00 0.00 0.00 58 D H H 60.34 8.47 23.60 32.35 91.32 51.20 -62.91 -41.67 0.34 0.00 99.66 0.02 0.01 0.24 99.65 0.08 0.00 0.00 0.00 59 K H H 106.20 2.77 25.13 26.82 91.81 49.96 -64.90 -40.96 0.68 0.00 99.32 0.03 0.03 0.56 99.25 0.14 0.00 0.00 0.00 60 A H H 8.27 15.97 16.38 33.75 91.85 51.10 -64.58 -41.44 1.12 0.00 98.88 0.11 0.08 0.81 98.71 0.29 0.00 0.00 0.00 61 V H H 38.59 14.57 15.50 30.25 92.14 51.54 -64.07 -41.20 3.23 0.02 96.76 0.36 0.29 2.53 95.51 1.28 0.01 0.01 0.01 62 K H H 156.94 1.27 19.38 19.81 91.01 52.63 -64.78 -31.59 8.55 0.01 91.44 0.26 0.37 8.28 90.03 1.03 0.01 0.00 0.01 63 T C T 78.74 4.78 15.62 21.56 92.86 52.23 -84.90 -4.16 75.63 0.02 24.34 0.27 1.73 73.66 23.10 1.20 0.00 0.00 0.03 64 G C T 51.32 3.84 17.50 22.34 95.34 -110.48 80.46 10.62 99.70 0.01 0.29 0.60 4.29 94.91 0.13 0.06 0.00 0.00 0.00 65 L C S 47.60 13.66 16.08 30.36 94.73 120.64 -77.97 -29.83 99.82 0.12 0.06 5.28 93.52 1.07 0.03 0.01 0.00 0.04 0.05 66 V C S 10.61 22.00 11.78 33.72 132.42 22.89 -134.51 149.43 97.01 2.90 0.09 9.20 87.73 0.60 0.04 0.02 0.00 0.52 1.88 67 H C C 104.01 3.60 21.71 24.76 116.08 -104.06 -70.38 149.43 99.36 0.53 0.11 98.67 0.74 0.06 0.07 0.01 0.00 0.26 0.19 68 K H H 123.66 9.00 13.55 23.84 91.55 -113.89 -57.95 -38.17 24.66 0.08 75.26 2.24 2.98 19.04 68.01 7.58 0.05 0.03 0.07 69 N H H 116.31 1.16 20.93 20.05 91.61 53.38 -65.02 -37.70 21.91 0.05 78.04 1.59 1.98 17.87 71.78 6.68 0.03 0.02 0.03 70 T H H 43.48 8.37 18.88 28.44 92.74 48.63 -67.43 -39.14 9.57 0.07 90.36 2.78 1.32 5.30 84.46 6.07 0.01 0.04 0.03 71 A H H 5.09 21.63 12.74 34.70 91.53 53.23 -63.01 -42.68 2.44 0.01 97.55 0.81 0.31 1.17 96.64 1.06 0.00 0.00 0.00 72 A H H 54.80 5.17 21.61 27.13 91.72 51.61 -63.71 -41.16 1.03 0.00 98.96 0.28 0.10 0.49 98.65 0.46 0.00 0.00 0.00 73 R H H 139.00 1.90 23.83 24.01 92.10 49.46 -64.62 -41.52 0.72 0.00 99.27 0.16 0.06 0.38 99.12 0.28 0.00 0.00 0.00 74 Y H H 56.53 15.22 19.47 34.34 92.13 48.55 -65.63 -41.40 0.57 0.00 99.43 0.10 0.05 0.31 99.39 0.15 0.00 0.00 0.00 75 K H H 54.60 17.57 18.53 35.14 91.51 51.92 -62.37 -42.26 0.75 0.00 99.25 0.14 0.05 0.39 99.30 0.11 0.00 0.00 0.00 76 S H H 60.49 2.61 24.05 25.45 91.31 50.68 -63.87 -41.62 1.30 0.00 98.69 0.23 0.08 0.71 98.86 0.12 0.00 0.00 0.00 77 R H H 108.25 4.65 23.41 28.08 91.67 49.57 -64.57 -41.34 1.24 0.00 98.76 0.20 0.08 0.73 98.83 0.16 0.00 0.00 0.00 78 L H H 10.58 21.26 16.39 37.85 91.76 50.21 -64.42 -42.36 0.95 0.00 99.05 0.21 0.08 0.50 99.01 0.22 0.00 0.00 0.00 79 A H H 38.92 10.83 20.06 31.43 91.65 51.62 -62.69 -41.33 0.85 0.00 99.14 0.20 0.07 0.43 99.05 0.25 0.00 0.00 0.00 80 K H H 131.23 1.55 23.26 22.90 91.61 50.25 -64.53 -41.09 1.14 0.00 98.86 0.22 0.09 0.67 98.61 0.41 0.00 0.00 0.00 81 K H H 84.80 9.08 19.68 29.22 92.08 48.69 -65.75 -40.42 1.93 0.01 98.06 0.36 0.16 1.18 97.68 0.61 0.00 0.00 0.00 82 V H H 22.85 18.64 13.93 32.44 92.39 49.95 -65.74 -40.57 3.86 0.02 96.12 0.82 0.41 2.34 95.43 0.97 0.00 0.01 0.01 83 N H H 96.50 3.97 17.96 22.72 92.33 51.53 -66.85 -33.07 13.09 0.05 86.86 2.56 1.40 8.60 85.69 1.68 0.01 0.02 0.03 84 G H H 48.93 2.42 16.37 18.95 94.71 54.80 -69.97 -27.00 32.27 0.12 67.61 6.00 3.23 22.78 64.98 2.87 0.02 0.05 0.08 85 L H H 72.19 11.14 10.84 22.41 98.00 62.81 -78.93 -16.55 44.15 0.54 55.30 14.44 7.91 23.13 50.35 3.58 0.04 0.21 0.33 86 S C C 81.65 3.59 12.50 17.66 102.15 66.62 -83.40 6.42 67.99 0.50 31.52 41.45 1.78 23.13 31.18 1.94 0.00 0.20 0.32 87 A C C 73.73 4.74 11.73 18.15 104.96 93.17 -80.93 39.60 99.96 0.01 0.03 99.86 0.05 0.06 0.02 0.00 0.00 0.00 0.00