# 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 94.40 6.90 13.01 21.02 112.69 -144.98 -83.76 136.63 99.83 0.06 0.11 99.73 0.08 0.07 0.07 0.00 0.00 0.02 0.01 1 A C C 64.18 4.47 11.52 17.39 103.33 -103.98 -70.76 -29.06 66.11 0.69 33.21 59.52 1.05 5.15 32.19 1.50 0.00 0.28 0.30 2 K H H 136.48 3.02 10.79 15.10 97.11 46.17 -69.53 -34.72 39.82 0.66 59.52 26.07 6.26 8.26 55.93 2.89 0.00 0.28 0.29 3 Q H H 121.07 2.00 12.35 14.98 95.41 54.87 -69.30 -35.73 26.79 0.47 72.74 16.12 4.74 7.08 68.37 3.27 0.01 0.22 0.19 4 S H H 57.27 3.38 13.03 17.55 96.31 52.39 -69.02 -37.46 22.88 0.41 76.71 15.42 3.25 5.21 72.96 2.80 0.00 0.19 0.16 5 M H H 79.40 6.98 12.79 20.99 93.79 53.24 -65.50 -40.22 9.86 0.15 89.99 6.12 1.57 2.64 88.26 1.29 0.00 0.07 0.06 6 K H H 114.70 3.55 15.77 20.14 92.53 52.05 -64.74 -40.78 5.05 0.07 94.88 2.75 0.73 1.71 94.04 0.72 0.00 0.03 0.03 7 A H H 55.01 2.71 16.86 19.81 92.03 50.44 -64.52 -41.31 2.86 0.02 97.12 1.31 0.35 1.10 96.76 0.46 0.00 0.01 0.01 8 R H H 107.39 5.92 17.20 23.91 92.17 50.11 -65.29 -40.50 1.62 0.01 98.37 0.64 0.18 0.67 98.25 0.26 0.00 0.00 0.00 9 E H H 70.21 9.97 16.55 27.28 92.00 50.92 -63.89 -41.21 1.11 0.01 98.89 0.41 0.11 0.48 98.84 0.15 0.00 0.00 0.00 10 V H H 77.54 3.62 19.82 23.45 91.76 50.08 -64.29 -41.74 0.59 0.00 99.41 0.17 0.05 0.27 99.42 0.08 0.00 0.00 0.00 11 K H H 112.86 3.37 21.01 24.26 91.75 49.81 -64.55 -41.36 0.39 0.00 99.61 0.10 0.03 0.19 99.62 0.06 0.00 0.00 0.00 12 R H H 71.97 12.82 18.42 31.36 91.93 49.85 -64.40 -41.83 0.33 0.00 99.67 0.07 0.02 0.18 99.67 0.06 0.00 0.00 0.00 13 V H H 52.20 9.84 19.32 29.87 91.66 50.14 -63.79 -41.82 0.32 0.00 99.68 0.06 0.02 0.19 99.68 0.05 0.00 0.00 0.00 14 A H H 56.62 2.62 23.11 24.50 91.53 50.09 -63.53 -42.11 0.38 0.00 99.62 0.06 0.03 0.23 99.63 0.06 0.00 0.00 0.00 15 L H H 52.45 7.93 20.71 29.56 91.87 49.49 -64.52 -41.77 0.44 0.00 99.56 0.06 0.03 0.29 99.55 0.07 0.00 0.00 0.00 16 A H H 16.00 16.36 16.43 33.55 91.79 50.85 -63.69 -41.51 0.28 0.00 99.72 0.03 0.02 0.19 99.69 0.07 0.00 0.00 0.00 17 D H H 81.39 4.01 21.88 25.95 91.84 50.83 -64.35 -40.73 0.27 0.00 99.73 0.03 0.01 0.18 99.70 0.07 0.00 0.00 0.00 18 K H H 119.71 2.34 22.57 23.87 91.84 49.39 -65.27 -41.27 0.53 0.00 99.47 0.03 0.02 0.42 99.42 0.10 0.00 0.00 0.00 19 Y H H 42.88 14.60 17.10 32.29 91.89 49.16 -64.89 -41.57 0.66 0.00 99.34 0.05 0.03 0.49 99.34 0.09 0.00 0.00 0.00 20 F H H 77.42 11.08 18.58 30.05 91.85 51.53 -63.26 -41.55 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 21 A H H 61.55 2.12 22.52 23.04 91.45 50.13 -64.10 -41.41 0.24 0.00 99.76 0.03 0.01 0.15 99.77 0.05 0.00 0.00 0.00 22 K H H 87.39 8.14 20.54 29.11 91.94 48.90 -65.44 -40.52 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.04 0.00 0.00 0.00 23 R H H 55.04 16.78 17.03 33.38 91.63 51.44 -63.25 -41.42 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.02 0.00 0.00 0.00 24 A H H 54.55 3.81 22.39 26.01 91.27 51.22 -63.65 -40.73 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 25 E H H 99.42 3.65 22.83 26.19 91.61 50.30 -64.60 -40.90 0.09 0.00 99.91 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 26 L H H 16.22 19.19 16.53 35.96 91.30 50.43 -64.11 -41.89 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 27 K H H 91.37 10.61 20.57 31.14 91.39 52.31 -62.72 -40.67 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 28 A H H 59.31 2.28 22.62 23.48 91.55 50.99 -64.06 -41.01 0.30 0.00 99.70 0.01 0.01 0.23 99.61 0.14 0.00 0.00 0.00 29 I H H 39.79 11.59 17.90 30.59 92.20 49.63 -65.57 -40.53 0.94 0.00 99.06 0.05 0.04 0.75 98.82 0.33 0.00 0.00 0.00 30 I H H 33.17 17.92 14.49 32.23 92.21 52.82 -67.46 -31.25 6.04 0.01 93.95 0.22 0.28 5.37 93.62 0.50 0.00 0.00 0.00 31 S H H 78.83 2.99 18.89 22.19 93.00 57.09 -81.73 -13.04 33.71 0.06 66.23 1.36 2.97 28.31 66.42 0.84 0.03 0.02 0.04 32 D C C 67.80 6.44 13.04 21.41 107.09 87.11 -95.85 106.69 98.04 0.32 1.63 83.10 12.20 2.55 1.29 0.35 0.00 0.09 0.43 33 V C T 105.79 5.50 11.42 19.16 94.41 -172.26 -71.57 -16.81 98.77 0.21 1.02 6.47 9.90 82.51 0.38 0.50 0.00 0.12 0.11 34 N C T 138.64 0.57 15.34 13.90 94.49 60.18 -89.51 0.51 99.39 0.12 0.50 4.97 11.13 83.36 0.12 0.31 0.00 0.07 0.04 35 A C S 27.34 13.00 6.94 20.24 120.51 105.93 -79.41 151.43 99.55 0.26 0.20 30.37 68.66 0.53 0.10 0.06 0.00 0.06 0.22 36 S C C 62.63 1.87 16.89 17.89 118.84 -102.98 -69.40 160.45 99.80 0.10 0.10 99.12 0.64 0.08 0.05 0.01 0.00 0.02 0.07 37 D H H 104.92 4.33 12.17 18.58 91.51 -104.72 -58.17 -38.34 1.86 0.00 98.14 0.33 0.32 0.96 98.01 0.39 0.00 0.00 0.00 38 E H H 135.02 1.16 16.46 16.52 91.61 52.95 -64.15 -40.63 0.90 0.00 99.10 0.09 0.07 0.60 98.80 0.43 0.00 0.00 0.00 39 D H H 64.64 5.93 15.93 23.22 92.12 48.36 -66.33 -39.71 0.53 0.00 99.47 0.09 0.04 0.30 99.06 0.51 0.00 0.00 0.00 40 R H H 53.15 15.97 13.43 29.32 91.57 52.22 -63.29 -42.11 0.25 0.00 99.75 0.04 0.02 0.12 99.70 0.11 0.00 0.00 0.00 41 W H H 124.66 4.80 20.20 25.23 91.83 50.09 -63.98 -41.55 0.23 0.00 99.77 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 42 N H H 86.86 2.42 22.88 24.04 91.72 49.97 -64.14 -41.18 0.27 0.00 99.73 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 43 A H H 9.28 16.00 16.76 33.98 91.80 50.65 -63.63 -42.42 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 44 V H H 34.08 15.49 18.45 33.94 91.70 51.11 -62.91 -42.40 0.20 0.00 99.80 0.01 0.00 0.13 99.80 0.05 0.00 0.00 0.00 45 L H H 86.93 2.89 22.63 24.49 91.59 50.10 -63.78 -41.99 0.21 0.00 99.79 0.01 0.01 0.14 99.69 0.15 0.00 0.00 0.00 46 K H H 97.50 5.63 21.31 27.39 91.65 49.48 -65.01 -40.68 0.43 0.00 99.57 0.02 0.01 0.34 99.03 0.60 0.00 0.00 0.00 47 L H H 10.10 22.80 13.65 36.28 91.17 51.18 -64.76 -38.28 1.10 0.00 98.90 0.05 0.04 0.96 96.53 2.43 0.00 0.00 0.00 48 Q H H 98.02 9.12 18.42 28.13 90.89 57.18 -66.80 -24.75 14.85 0.00 85.14 0.25 0.38 14.79 82.27 2.29 0.01 0.00 0.00 49 T C T 102.49 1.67 20.33 21.00 94.69 51.66 -90.21 -5.68 55.06 0.03 44.90 1.19 2.02 51.03 43.35 2.37 0.00 0.01 0.03 50 L C S 28.35 19.37 8.88 27.46 116.58 110.19 -72.74 142.73 99.71 0.11 0.19 24.48 74.94 0.30 0.14 0.03 0.00 0.02 0.08 51 P C C 71.99 4.72 18.63 23.95 113.15 -103.60 -64.99 148.99 98.15 0.59 1.25 96.12 1.31 0.93 0.39 0.56 0.00 0.17 0.52 52 R C T 136.73 10.48 13.83 24.76 96.36 -115.85 -67.72 -25.50 82.02 0.68 17.30 16.50 18.63 46.12 1.79 16.12 0.00 0.31 0.54 53 D C T 93.66 4.93 18.36 24.04 104.09 60.56 -92.92 58.78 84.78 0.70 14.51 22.06 13.94 48.16 1.58 13.48 0.00 0.34 0.44 54 S C C 37.20 15.30 12.58 27.72 106.24 148.68 -92.61 53.59 85.90 1.06 13.04 57.06 18.69 8.46 2.21 12.22 0.00 0.41 0.95 55 S C C 43.51 6.49 18.34 25.90 121.44 133.39 -91.78 152.79 96.36 0.50 3.15 63.28 31.71 1.15 2.71 0.46 0.00 0.09 0.59 56 P H H 72.95 9.87 15.08 25.85 92.00 -113.57 -59.34 -34.11 32.85 0.08 67.07 2.96 3.35 25.73 62.75 5.08 0.04 0.03 0.07 57 S H H 60.58 4.48 18.76 23.81 92.13 56.00 -65.57 -37.95 26.49 0.07 73.44 2.66 2.21 20.98 69.42 4.63 0.03 0.03 0.05 58 R H H 77.80 10.81 17.91 29.40 92.13 52.70 -65.35 -40.05 8.90 0.09 91.01 3.06 1.49 4.39 84.63 6.33 0.02 0.05 0.04 59 Q H H 40.78 17.29 17.56 34.40 91.95 51.56 -64.58 -41.66 6.85 0.10 93.06 2.20 0.95 3.65 87.17 5.93 0.02 0.06 0.03 60 R H H 103.76 9.11 21.43 30.73 91.82 51.02 -64.46 -40.98 9.92 0.12 89.96 2.04 1.33 6.49 84.64 5.34 0.05 0.07 0.05 61 N H H 63.21 6.50 22.51 29.45 92.58 49.40 -67.38 -39.09 21.21 0.24 78.56 4.81 2.76 13.80 74.03 4.32 0.05 0.11 0.11 62 R H H 54.59 13.62 19.86 33.58 92.65 51.83 -65.18 -41.07 25.10 0.98 73.92 8.19 5.01 13.66 68.42 3.57 0.16 0.43 0.56 63 C H H 12.97 17.34 15.05 33.04 92.34 51.35 -64.35 -41.11 17.51 0.73 81.75 9.77 3.11 6.74 76.23 3.36 0.06 0.30 0.43 64 R H H 148.72 3.30 20.05 23.91 92.56 50.56 -65.84 -39.77 12.14 0.26 87.61 2.58 1.85 8.34 81.54 5.26 0.16 0.13 0.13 65 Q H H 100.45 6.26 18.15 25.17 95.97 44.92 -74.42 -37.54 16.12 0.22 83.66 1.05 2.30 13.62 78.22 4.27 0.30 0.08 0.15 66 T H H 46.26 11.51 14.78 27.11 100.07 25.89 -101.78 -12.19 24.99 0.22 74.80 1.41 4.32 20.07 71.85 1.90 0.20 0.07 0.17 67 G C S 52.51 3.20 18.41 22.14 94.87 -117.13 78.87 10.71 99.31 0.24 0.44 36.26 38.82 24.25 0.15 0.27 0.00 0.10 0.14 68 R C C 88.34 10.36 13.86 25.40 120.99 128.74 -98.74 140.44 98.90 0.93 0.17 67.12 31.01 0.72 0.05 0.10 0.00 0.28 0.72 69 P C C 79.24 5.74 19.92 26.01 109.22 -107.57 -66.53 147.58 96.35 1.13 2.51 53.12 26.94 15.96 0.44 2.26 0.00 0.44 0.83 70 H C C 79.40 13.59 17.72 30.65 111.45 0.47 -98.12 109.62 93.14 1.82 5.03 51.84 20.47 20.69 1.13 3.78 0.00 0.69 1.39 71 G C C 16.84 13.38 17.92 31.65 118.25 162.12 -101.64 -1.21 85.44 2.62 11.94 46.38 26.70 12.18 4.52 7.19 0.01 1.02 2.00 72 F C S 61.66 13.80 19.25 32.97 95.44 -93.98 -75.94 -21.91 74.82 7.19 18.00 20.78 35.04 19.96 9.28 7.32 0.15 2.51 4.95 73 L H H 29.58 18.27 14.14 32.05 95.07 66.98 -74.67 -17.51 32.75 15.28 51.97 13.06 10.79 12.83 34.85 11.64 1.74 4.13 10.97 74 R H G 148.61 4.59 17.60 23.72 92.71 71.44 -64.01 -39.45 13.47 0.31 86.22 1.71 1.64 9.66 31.04 55.65 0.02 0.20 0.09 75 K H G 130.99 3.89 17.94 22.74 94.05 46.81 -71.38 -35.95 13.51 0.19 86.30 0.93 1.31 10.74 32.55 54.24 0.05 0.11 0.07 76 F H G 58.41 14.12 14.88 29.30 98.15 29.25 -100.66 -8.60 16.21 0.15 83.64 0.98 1.75 12.88 33.75 50.45 0.03 0.08 0.07 77 G C T 39.93 5.74 21.89 28.45 94.40 -118.42 74.94 17.50 99.23 0.29 0.48 15.75 17.37 66.20 0.15 0.27 0.00 0.15 0.11 78 L C C 19.78 18.47 16.12 34.85 132.99 113.42 -121.62 154.80 84.92 14.52 0.56 57.53 26.63 0.70 0.37 0.20 0.00 3.59 10.99 79 S C C 22.27 11.02 22.84 34.81 120.61 -112.56 -76.45 159.94 93.78 5.79 0.43 92.15 1.66 0.15 0.36 0.06 0.00 1.50 4.12 80 R H H 64.35 18.23 18.37 36.01 91.82 -111.86 -59.17 -38.13 3.26 0.01 96.73 0.42 0.78 1.66 96.99 0.14 0.00 0.00 0.00 81 I H H 78.27 7.14 24.16 31.44 92.08 53.31 -64.54 -42.08 1.19 0.00 98.81 0.11 0.12 0.83 98.82 0.12 0.00 0.00 0.00 82 K H H 74.06 9.97 24.02 34.11 91.89 48.11 -65.86 -41.09 0.38 0.00 99.62 0.05 0.03 0.23 99.58 0.11 0.00 0.00 0.00 83 V H H 2.61 25.85 17.06 43.41 91.25 50.24 -63.18 -43.52 0.13 0.00 99.87 0.02 0.01 0.06 99.88 0.03 0.00 0.00 0.00 84 R H H 81.64 13.33 22.47 35.16 91.53 50.75 -62.68 -42.62 0.14 0.00 99.86 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 85 E H H 90.06 3.74 24.50 27.73 91.76 49.18 -64.18 -42.30 0.15 0.00 99.85 0.01 0.01 0.08 99.87 0.02 0.00 0.00 0.00 86 A H H 12.10 12.39 18.15 32.47 91.43 49.78 -63.79 -41.85 0.25 0.00 99.75 0.02 0.02 0.15 99.76 0.05 0.00 0.00 0.00 87 A H H 13.23 18.19 14.43 32.79 91.87 50.98 -63.66 -42.02 0.59 0.00 99.41 0.05 0.03 0.41 99.25 0.26 0.00 0.00 0.00 88 M H H 112.72 5.30 18.03 24.41 91.01 51.28 -65.51 -30.84 3.15 0.00 96.85 0.07 0.09 3.12 96.34 0.37 0.00 0.00 0.00 89 R C T 150.42 2.25 17.19 19.30 92.34 51.93 -85.84 -2.62 65.10 0.01 34.89 0.16 0.85 64.94 33.35 0.68 0.00 0.00 0.02 90 G C T 45.89 7.03 14.05 22.50 94.65 -112.04 78.92 13.30 99.37 0.01 0.62 0.73 2.40 96.38 0.40 0.06 0.00 0.00 0.00 91 E C S 101.92 5.89 17.40 24.62 94.60 127.54 -75.37 -23.96 99.63 0.27 0.09 23.94 74.56 1.17 0.03 0.04 0.00 0.08 0.18 92 I C S 19.60 20.48 11.73 31.77 115.12 34.85 -126.74 97.92 99.25 0.63 0.12 27.38 71.11 0.73 0.03 0.06 0.00 0.17 0.52 93 P C T 76.21 6.05 20.40 27.24 112.66 -133.17 -65.31 138.23 98.68 0.32 1.00 12.38 12.40 73.70 0.14 0.99 0.00 0.17 0.22 94 G C T 41.02 6.28 19.78 26.90 95.99 21.50 85.29 -3.91 97.61 0.83 1.56 12.12 11.29 74.06 0.26 1.44 0.00 0.52 0.31 95 L C C 26.21 22.05 10.82 31.78 113.82 133.67 -78.85 132.33 92.01 4.71 3.28 77.64 10.95 2.74 1.12 2.12 0.00 2.07 3.35 96 K C C 119.25 4.66 19.49 25.30 125.12 -173.07 -117.07 147.83 86.71 6.83 6.45 74.47 7.89 3.86 2.53 3.86 0.00 3.74 3.66 97 K C C 114.23 8.83 14.48 24.26 112.81 -106.06 -72.51 141.21 73.90 4.94 21.16 51.29 12.31 9.58 3.56 18.65 0.00 3.18 1.44 98 A C C 58.35 9.67 10.53 20.93 105.16 -119.67 -76.23 76.99 75.92 2.03 22.05 41.57 14.71 18.00 2.15 21.74 0.00 1.19 0.64 99 S C C 84.42 2.55 11.72 15.55 105.14 78.58 -89.17 21.13 80.91 1.48 17.61 62.56 3.56 14.90 2.29 15.28 0.00 0.89 0.54 100 W C C 147.34 7.43 11.28 19.83 103.97 82.80 -86.75 13.84 99.85 0.09 0.07 99.64 0.17 0.10 0.02 0.01 0.00 0.04 0.02