# 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 L C C 74.89 12.42 16.86 29.17 116.65 -155.36 -97.36 127.68 99.55 0.43 0.02 99.56 0.09 0.05 0.00 0.00 0.00 0.26 0.03 1 C C C 75.17 7.49 15.84 24.30 113.21 -151.91 -93.21 125.59 86.76 12.32 0.91 80.53 3.20 3.08 0.43 0.38 0.00 9.22 3.15 2 C C C 56.37 11.73 11.04 23.02 110.82 61.12 -96.62 104.48 85.42 13.43 1.15 64.90 17.04 3.48 0.63 0.57 0.00 7.95 5.42 3 G C C 30.61 5.55 13.86 20.84 125.38 -126.81 -75.57 173.65 98.21 0.55 1.24 83.63 13.79 0.56 1.48 0.10 0.00 0.19 0.25 4 P H H 104.40 2.32 14.10 16.84 93.11 -75.66 -61.61 -37.65 5.82 0.02 94.16 0.91 0.78 3.81 93.62 0.85 0.01 0.01 0.01 5 K H H 135.54 2.31 15.81 18.48 92.31 49.76 -65.43 -38.81 3.02 0.01 96.97 0.43 0.27 2.16 96.21 0.92 0.00 0.00 0.00 6 L H H 52.11 12.03 13.75 26.42 92.69 49.53 -66.89 -39.58 0.81 0.01 99.19 0.20 0.08 0.44 98.51 0.76 0.00 0.00 0.00 7 A H H 40.85 8.89 15.69 25.88 91.80 53.36 -63.27 -41.39 0.35 0.00 99.65 0.09 0.03 0.17 99.47 0.24 0.00 0.00 0.00 8 A H H 62.03 2.34 21.05 22.21 91.80 50.48 -64.49 -41.60 0.39 0.00 99.61 0.07 0.03 0.22 99.50 0.17 0.00 0.00 0.00 9 C H H 47.28 7.42 18.62 27.04 92.04 50.27 -64.64 -42.08 0.50 0.01 99.49 0.10 0.04 0.29 99.41 0.16 0.00 0.00 0.00 10 G H H 14.83 15.40 15.80 31.50 91.97 52.05 -63.41 -41.35 0.59 0.00 99.41 0.09 0.03 0.37 99.39 0.12 0.00 0.00 0.00 11 I H H 95.50 4.22 20.56 24.86 91.76 50.50 -64.55 -41.37 0.57 0.00 99.43 0.08 0.04 0.37 99.41 0.11 0.00 0.00 0.00 12 V H H 84.61 2.76 21.31 23.30 91.97 48.97 -65.08 -42.22 0.58 0.01 99.41 0.09 0.04 0.37 99.38 0.12 0.00 0.00 0.00 13 L H H 50.99 12.58 17.67 30.57 92.20 48.33 -65.68 -41.25 0.77 0.00 99.23 0.11 0.05 0.49 99.19 0.15 0.00 0.00 0.00 14 S H H 38.90 12.27 17.15 29.71 91.83 51.82 -63.56 -40.60 1.50 0.00 98.49 0.14 0.07 1.10 98.48 0.21 0.00 0.00 0.00 15 A H H 62.88 2.58 21.39 22.91 92.21 50.17 -64.88 -41.54 1.35 0.00 98.65 0.11 0.07 0.97 98.64 0.21 0.00 0.00 0.00 16 W H H 121.29 4.69 20.44 25.29 92.14 48.70 -65.44 -41.24 1.07 0.00 98.93 0.17 0.07 0.65 98.92 0.19 0.00 0.00 0.00 17 G H H 11.30 16.01 15.13 31.77 91.86 53.01 -63.22 -41.87 0.75 0.00 99.25 0.11 0.03 0.45 99.26 0.15 0.00 0.00 0.00 18 V H H 69.51 7.09 19.60 26.97 92.01 49.88 -64.19 -41.91 0.42 0.00 99.58 0.04 0.02 0.28 99.54 0.12 0.00 0.00 0.00 19 I H H 99.10 1.95 21.78 22.13 91.79 48.36 -64.43 -42.17 0.35 0.00 99.65 0.03 0.02 0.24 99.62 0.09 0.00 0.00 0.00 20 M H H 65.14 9.23 18.40 28.51 92.23 49.62 -65.72 -40.82 0.36 0.00 99.64 0.05 0.01 0.22 99.63 0.10 0.00 0.00 0.00 21 L H H 42.68 15.35 16.13 31.66 91.79 51.92 -63.71 -40.40 0.38 0.00 99.62 0.03 0.01 0.28 99.57 0.11 0.00 0.00 0.00 22 I H H 91.54 4.53 20.37 24.84 92.19 50.46 -64.75 -41.48 0.38 0.00 99.62 0.03 0.01 0.29 99.55 0.13 0.00 0.00 0.00 23 M H H 98.22 3.06 21.31 23.93 91.82 49.30 -65.16 -41.64 0.54 0.00 99.46 0.04 0.02 0.37 99.41 0.15 0.00 0.00 0.00 24 L H H 41.10 13.27 17.38 31.26 91.80 50.77 -64.48 -41.44 0.77 0.00 99.22 0.07 0.04 0.52 99.15 0.24 0.00 0.00 0.00 25 G H H 18.19 11.54 16.61 29.31 91.40 52.84 -62.66 -41.54 1.20 0.00 98.80 0.12 0.05 0.83 98.56 0.43 0.00 0.00 0.00 26 I H H 91.38 2.74 20.82 22.85 91.77 49.98 -64.18 -42.17 1.05 0.00 98.94 0.08 0.08 0.78 98.29 0.77 0.00 0.00 0.00 27 F H H 76.06 6.87 17.47 25.66 92.18 49.98 -64.76 -41.19 1.52 0.01 98.47 0.15 0.13 1.13 97.52 1.06 0.01 0.01 0.00 28 F H H 52.98 14.19 13.41 28.06 92.45 51.18 -66.23 -38.65 3.90 0.02 96.08 0.33 0.27 3.24 94.76 1.37 0.01 0.01 0.01 29 N H H 93.83 5.44 16.43 22.67 92.91 50.29 -69.67 -33.25 10.90 0.04 89.06 0.44 0.68 9.95 87.78 1.08 0.03 0.01 0.02 30 V C T 97.29 2.38 16.63 18.84 98.88 43.18 -92.53 -8.39 58.60 0.11 41.29 1.13 3.82 52.39 41.01 1.48 0.03 0.03 0.10 31 H C T 118.66 6.12 15.02 22.19 100.98 -35.47 -18.50 31.15 79.77 0.20 20.03 8.64 6.45 62.68 20.60 1.40 0.00 0.08 0.14 32 S C C 39.25 9.85 12.88 24.19 110.29 154.26 -83.80 121.69 77.81 0.84 21.35 70.84 3.47 4.55 15.55 4.72 0.00 0.34 0.52 33 A H H 52.26 9.04 14.66 24.77 94.52 106.63 -66.70 -25.38 33.25 0.92 65.83 13.96 6.25 12.58 34.32 31.99 0.03 0.49 0.38 34 V H H 73.47 5.66 16.46 23.23 93.20 68.06 -65.22 -33.80 20.96 1.66 77.38 6.57 3.59 10.08 39.83 38.34 0.09 1.16 0.35 35 L H G 61.48 9.29 14.67 25.25 92.70 57.66 -68.09 -31.26 17.38 1.23 81.39 5.97 2.93 7.85 41.00 41.10 0.03 0.90 0.22 36 I H H 55.09 12.91 12.61 25.83 95.12 51.52 -78.37 -19.83 27.39 2.41 70.21 9.84 5.63 11.82 38.11 32.21 0.19 1.44 0.77 37 E C T 117.08 5.07 13.95 20.48 94.35 71.08 -67.84 -27.52 53.85 1.15 44.99 9.56 9.32 33.31 24.49 21.83 0.15 0.60 0.75 38 D C T 112.32 2.07 15.08 17.20 97.31 48.32 -88.15 -5.89 72.88 0.58 26.53 18.61 12.73 41.89 11.49 14.54 0.01 0.27 0.46 39 V C S 53.13 11.63 9.54 22.06 115.86 81.45 -101.25 123.83 97.68 0.93 1.39 42.56 53.08 2.16 0.76 0.48 0.00 0.29 0.67 40 P C C 98.78 2.54 17.09 20.00 110.16 -127.47 -69.55 131.83 98.39 0.65 0.96 87.58 7.94 2.92 0.33 0.52 0.00 0.28 0.42 41 F C C 68.30 16.06 8.37 23.40 120.15 -158.79 -104.40 135.59 97.23 1.00 1.78 88.85 6.78 1.59 0.88 0.68 0.00 0.35 0.87 42 T C C 72.46 2.81 16.69 19.66 125.15 -164.55 -110.00 161.33 96.40 0.58 3.02 88.86 5.47 2.32 1.54 1.11 0.00 0.22 0.48 43 E H G 129.17 5.04 11.00 17.91 92.78 -108.66 -60.96 -32.19 45.35 0.43 54.22 12.39 9.74 22.76 18.56 36.05 0.01 0.20 0.29 44 K H G 154.39 1.12 14.07 14.66 92.96 60.82 -70.83 -23.40 44.12 0.40 55.48 10.76 8.32 24.26 18.74 37.46 0.01 0.20 0.26 45 D H G 59.92 7.53 10.89 20.08 97.84 55.83 -80.76 -6.08 42.40 0.66 56.95 22.97 7.01 12.14 18.50 38.72 0.00 0.33 0.32 46 F H G 85.24 11.65 9.72 21.65 94.68 83.67 -70.42 -26.22 48.25 0.56 51.19 19.25 7.73 21.11 21.44 29.81 0.01 0.26 0.39 47 E C T 145.91 1.50 14.53 15.99 95.07 61.75 -74.48 -23.41 54.98 0.40 44.62 10.84 9.58 33.70 17.84 27.47 0.02 0.18 0.37 48 N C T 106.28 2.73 13.26 16.78 99.53 50.13 -92.31 1.62 66.43 0.53 33.04 22.20 18.47 26.49 12.93 19.16 0.01 0.20 0.54 49 G C C 23.80 6.66 14.12 22.62 125.76 -123.43 90.99 172.70 73.43 0.28 26.29 47.22 19.20 5.77 25.38 2.14 0.00 0.07 0.22 50 P H H 70.88 8.92 13.14 23.04 93.85 -57.47 -63.99 -35.05 20.50 0.11 79.39 5.97 3.87 11.17 75.01 3.85 0.02 0.05 0.07 51 Q H H 121.27 1.92 17.24 18.90 92.48 55.41 -64.79 -39.02 10.05 0.08 89.87 3.04 1.54 5.64 86.19 3.51 0.01 0.04 0.04 52 N H H 72.20 5.03 16.76 22.91 92.61 50.66 -66.02 -39.11 5.20 0.07 94.73 2.59 0.79 2.17 91.38 3.00 0.00 0.04 0.02 53 I H H 34.78 14.51 14.35 29.39 92.61 51.18 -64.68 -42.21 2.34 0.02 97.64 0.95 0.30 1.11 96.36 1.26 0.00 0.01 0.01 54 Y H H 102.51 7.68 18.81 27.17 91.82 50.83 -63.79 -41.36 1.35 0.01 98.65 0.39 0.13 0.72 98.07 0.68 0.00 0.00 0.00 55 N H H 87.84 2.46 22.24 23.55 91.88 49.79 -64.92 -40.90 1.83 0.00 98.17 0.27 0.13 1.30 97.70 0.60 0.00 0.00 0.00 56 L H H 49.08 9.78 18.98 29.84 92.11 51.06 -64.43 -41.50 1.94 0.00 98.06 0.24 0.13 1.39 97.76 0.47 0.00 0.00 0.00 57 Y H H 48.69 16.72 17.51 33.98 92.09 50.69 -63.99 -41.88 0.97 0.00 99.02 0.21 0.08 0.53 98.93 0.24 0.00 0.00 0.00 58 E H H 98.60 5.22 22.96 28.32 91.60 49.98 -64.25 -41.20 0.93 0.00 99.07 0.16 0.06 0.54 99.07 0.17 0.00 0.00 0.00 59 Q H H 90.42 4.01 24.02 27.68 91.83 49.23 -64.87 -41.38 0.86 0.00 99.14 0.09 0.05 0.57 99.16 0.13 0.00 0.00 0.00 60 V H H 23.13 16.30 19.71 36.10 91.90 49.54 -64.56 -42.23 0.71 0.00 99.29 0.10 0.05 0.43 99.31 0.11 0.00 0.00 0.00 61 S H H 23.97 14.44 20.14 34.82 91.36 52.03 -62.93 -42.04 0.47 0.00 99.52 0.06 0.02 0.29 99.53 0.09 0.00 0.00 0.00 62 Y H H 126.06 3.05 26.03 28.38 91.61 49.86 -64.58 -41.90 0.39 0.00 99.61 0.04 0.02 0.27 99.60 0.08 0.00 0.00 0.00 63 N H H 54.05 9.24 23.53 33.12 91.81 49.88 -64.84 -41.54 0.56 0.00 99.44 0.04 0.02 0.43 99.44 0.06 0.00 0.00 0.00 64 C H H 12.77 20.75 18.90 39.26 91.54 50.64 -64.20 -42.10 0.38 0.00 99.62 0.04 0.02 0.26 99.65 0.04 0.00 0.00 0.00 65 F H H 91.23 8.43 24.61 33.17 91.43 50.01 -64.68 -42.24 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 66 I H H 88.60 3.74 26.70 29.95 91.47 49.04 -63.48 -42.92 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 67 A H H 14.72 15.74 21.16 37.24 91.33 49.50 -63.80 -42.60 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 68 A H H 18.91 15.99 21.05 37.14 91.34 51.59 -62.83 -42.36 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 69 G H H 34.79 4.06 24.99 28.87 91.31 50.39 -63.45 -42.01 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 70 L H H 67.70 7.50 23.39 31.27 91.69 50.12 -64.25 -42.11 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 71 Y H H 46.05 17.71 19.26 36.32 91.78 50.72 -63.90 -41.96 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 72 L H H 77.17 7.56 22.56 30.29 91.88 49.65 -64.03 -41.87 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 73 L H H 90.35 3.32 23.60 26.27 91.76 49.11 -64.48 -42.35 0.14 0.00 99.86 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 74 L H H 45.84 12.74 19.51 32.53 91.94 48.94 -64.72 -41.86 0.17 0.00 99.83 0.01 0.00 0.13 99.82 0.04 0.00 0.00 0.00 75 G H H 21.21 12.58 19.02 31.84 91.91 50.91 -62.87 -42.08 0.33 0.00 99.67 0.01 0.01 0.25 99.65 0.07 0.00 0.00 0.00 76 G H H 37.50 3.06 22.55 24.81 91.63 49.54 -63.86 -42.08 0.59 0.00 99.41 0.03 0.02 0.46 99.38 0.12 0.00 0.00 0.00 77 F H H 96.84 5.03 20.97 26.40 91.93 49.04 -65.30 -41.79 0.75 0.00 99.25 0.05 0.03 0.54 99.24 0.13 0.00 0.00 0.00 78 S H H 22.97 13.59 15.90 30.34 91.86 51.16 -63.75 -41.95 1.02 0.00 98.97 0.10 0.05 0.72 98.95 0.18 0.00 0.00 0.00 79 F H H 102.01 4.77 19.41 24.45 91.86 49.69 -64.20 -41.47 1.12 0.00 98.88 0.09 0.05 0.86 98.67 0.32 0.00 0.00 0.00 80 C H H 68.94 2.35 18.14 20.04 91.93 50.08 -64.81 -41.13 1.16 0.00 98.84 0.13 0.07 0.84 98.51 0.46 0.00 0.00 0.00 81 Q H H 64.35 7.75 13.58 23.03 92.31 51.24 -65.23 -39.60 1.36 0.00 98.64 0.20 0.10 0.92 97.79 0.99 0.00 0.00 0.00 82 V H H 71.00 7.33 12.50 21.06 92.36 51.71 -65.36 -39.32 2.69 0.01 97.30 0.29 0.18 1.98 94.94 2.59 0.00 0.01 0.00 83 R H H 167.97 1.25 13.22 14.42 92.68 51.46 -67.80 -32.09 8.57 0.02 91.41 0.78 0.52 6.81 89.98 1.89 0.00 0.01 0.01 84 L H H 118.32 2.06 10.85 13.83 95.80 52.25 -80.77 -14.70 31.31 0.09 68.60 9.12 0.95 19.78 68.89 1.14 0.00 0.02 0.08 85 N C C 92.71 6.98 10.24 18.37 104.45 80.53 -81.57 53.71 99.94 0.01 0.05 99.68 0.09 0.18 0.04 0.00 0.00 0.00 0.00