# 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 99.75 5.77 12.11 19.25 107.36 -152.96 -83.98 106.42 99.83 0.05 0.12 99.76 0.06 0.07 0.08 0.00 0.00 0.02 0.01 1 F C C 136.77 2.34 11.22 14.48 97.95 96.51 -71.55 -31.75 55.86 1.25 42.88 49.19 0.91 4.86 42.94 1.03 0.00 0.48 0.59 2 S H H 70.20 2.33 10.46 13.90 95.51 60.75 -68.63 -35.59 24.51 0.37 75.12 16.18 2.97 5.00 74.63 0.94 0.00 0.15 0.14 3 I H H 98.75 3.48 10.85 15.64 93.49 53.97 -66.74 -38.62 5.91 0.07 94.01 3.01 0.84 2.07 93.30 0.72 0.00 0.04 0.02 4 I H H 100.52 2.28 12.59 15.56 92.86 51.45 -66.15 -39.91 2.06 0.04 97.90 1.00 0.27 0.81 97.35 0.54 0.00 0.02 0.01 5 F H H 117.71 1.90 13.95 15.83 92.49 50.14 -65.70 -41.18 0.90 0.01 99.09 0.37 0.10 0.39 98.86 0.27 0.00 0.01 0.00 6 I H H 82.58 3.63 13.62 18.43 92.19 50.17 -64.93 -41.27 0.46 0.00 99.54 0.17 0.04 0.20 99.48 0.11 0.00 0.00 0.00 7 A H H 50.38 4.45 13.65 19.51 91.89 50.92 -64.04 -41.11 0.35 0.00 99.64 0.10 0.03 0.17 99.62 0.08 0.00 0.00 0.00 8 L H H 94.49 1.93 16.02 17.50 92.09 50.13 -65.04 -41.19 0.30 0.00 99.70 0.06 0.02 0.17 99.68 0.07 0.00 0.00 0.00 9 L H H 88.52 2.45 15.89 18.38 91.94 50.02 -64.93 -41.55 0.24 0.00 99.76 0.04 0.01 0.13 99.75 0.06 0.00 0.00 0.00 10 I H H 76.54 5.39 14.33 21.02 91.79 49.71 -64.34 -41.50 0.22 0.00 99.78 0.04 0.01 0.13 99.77 0.06 0.00 0.00 0.00 11 L H H 90.10 3.33 15.61 19.62 91.71 50.21 -64.81 -40.74 0.32 0.00 99.68 0.04 0.02 0.20 99.64 0.10 0.00 0.00 0.00 12 L H H 98.24 1.63 17.05 17.57 92.03 49.92 -65.08 -41.50 0.48 0.00 99.52 0.06 0.02 0.32 99.49 0.11 0.00 0.00 0.00 13 I H H 85.82 3.32 16.11 19.90 92.08 49.01 -65.21 -41.80 0.69 0.01 99.30 0.15 0.05 0.39 99.26 0.14 0.00 0.00 0.00 14 T H H 52.19 6.62 13.99 22.24 91.91 50.41 -64.67 -41.09 1.14 0.02 98.84 0.26 0.08 0.65 98.78 0.21 0.00 0.01 0.00 15 T H H 74.99 2.48 16.74 19.15 91.88 50.55 -64.61 -41.11 0.97 0.01 99.01 0.18 0.07 0.60 98.92 0.23 0.00 0.01 0.00 16 I H H 97.43 1.92 17.07 18.26 92.02 49.87 -65.12 -41.77 0.70 0.01 99.29 0.12 0.05 0.42 99.17 0.22 0.00 0.00 0.00 17 V H H 68.03 5.47 14.97 21.66 92.04 49.33 -65.51 -41.20 0.61 0.00 99.38 0.10 0.04 0.38 99.21 0.27 0.00 0.00 0.00 18 M H H 91.33 5.08 15.05 21.35 92.02 50.70 -64.29 -41.01 0.73 0.00 99.26 0.08 0.04 0.51 98.89 0.47 0.00 0.00 0.00 19 F H H 124.25 1.82 16.87 18.06 92.03 50.12 -64.78 -41.34 1.22 0.00 98.78 0.11 0.07 0.92 98.35 0.55 0.00 0.00 0.00 20 L H H 88.73 2.65 16.44 19.18 91.88 49.87 -65.03 -41.10 1.40 0.00 98.60 0.18 0.11 0.96 98.16 0.59 0.00 0.00 0.00 21 A H H 41.43 6.26 13.39 21.52 92.19 51.63 -64.46 -39.80 1.93 0.00 98.06 0.25 0.14 1.33 97.31 0.96 0.00 0.00 0.00 22 S H H 57.94 3.49 14.66 19.14 92.43 51.46 -65.72 -38.87 4.35 0.01 95.64 0.45 0.32 3.30 94.18 1.73 0.01 0.00 0.00 23 I H H 106.08 1.70 15.17 16.46 92.65 49.85 -66.68 -39.83 6.55 0.02 93.43 0.72 0.63 4.96 91.71 1.95 0.01 0.01 0.01 24 L H H 96.48 3.35 13.29 17.64 93.47 49.12 -68.34 -36.04 13.58 0.14 86.28 3.08 2.30 8.58 83.44 2.43 0.03 0.05 0.08 25 S H H 57.76 5.91 11.33 18.78 95.53 59.01 -70.26 -30.45 32.10 0.38 67.52 12.85 5.41 14.86 62.78 3.70 0.03 0.16 0.21 26 K H H 141.53 2.29 13.42 16.42 96.79 58.20 -73.02 -25.78 38.37 0.45 61.18 16.36 6.92 16.19 54.09 5.96 0.03 0.20 0.24 27 K H H 132.55 3.11 12.58 16.82 99.66 62.50 -82.17 -13.96 41.69 0.63 57.68 21.80 8.14 13.02 49.17 7.24 0.03 0.28 0.32 28 A H H 59.10 6.61 10.93 19.02 107.42 72.02 -84.37 98.54 48.48 0.87 50.65 28.36 8.21 12.62 42.84 7.11 0.02 0.42 0.42 29 L C H 105.05 4.43 12.28 18.16 108.74 -152.24 -92.11 98.45 55.26 1.23 43.51 33.15 10.24 12.62 36.31 6.49 0.02 0.58 0.59 30 I C C 94.53 6.10 11.48 19.06 113.18 52.94 -96.33 123.21 63.93 1.23 34.84 37.40 15.19 11.51 30.28 4.47 0.01 0.49 0.65 31 D C C 76.08 5.30 12.63 19.49 108.43 -137.69 -88.79 108.74 77.39 0.56 22.05 60.65 7.06 8.72 19.57 3.42 0.00 0.23 0.35 32 R H H 137.51 5.37 12.52 19.53 95.11 -154.00 -66.10 -29.30 38.03 0.46 61.51 15.63 7.33 15.37 43.62 17.54 0.03 0.21 0.27 33 E H H 108.19 5.79 13.23 20.42 93.69 60.90 -68.65 -30.52 33.05 0.40 66.55 8.29 5.12 17.99 41.47 26.66 0.04 0.20 0.23 34 K H H 120.84 5.43 13.67 20.44 94.68 57.71 -75.49 -20.02 35.81 0.49 63.71 8.42 5.76 20.00 38.11 27.11 0.06 0.24 0.30 35 S C T 65.99 5.85 13.74 20.87 99.04 53.63 -93.15 -0.77 55.41 0.93 43.67 17.14 13.06 25.94 22.99 19.63 0.07 0.37 0.79 36 S C C 38.26 9.04 11.74 22.63 116.79 103.87 -86.30 139.06 97.04 1.06 1.90 54.39 40.68 1.91 1.03 0.69 0.00 0.27 1.03 37 P C T 81.09 6.66 14.26 22.27 94.41 -133.08 -65.17 -20.09 85.01 0.73 14.26 18.19 18.39 48.97 3.56 10.00 0.00 0.32 0.56 38 F C T 107.37 8.61 13.17 22.59 99.21 58.55 -89.06 7.17 78.72 3.74 17.54 20.85 13.83 44.53 4.63 12.17 0.04 1.83 2.11 39 E C C 99.52 8.05 13.51 22.67 102.27 90.03 -73.63 -0.75 68.27 6.78 24.95 27.52 15.47 26.37 5.29 18.41 0.06 3.16 3.73 40 C C T 71.80 7.95 13.25 22.02 97.95 42.60 -87.33 3.61 78.07 2.73 19.20 13.23 14.68 49.48 3.44 16.17 0.02 1.42 1.57 41 G C T 49.49 4.37 15.62 21.12 98.52 -99.04 84.59 5.58 88.67 2.13 9.20 23.02 24.52 40.92 1.27 8.18 0.00 1.06 1.03 42 F C C 85.44 10.01 11.05 22.31 117.45 130.71 -91.17 135.24 89.99 8.18 1.83 57.32 28.38 3.62 0.62 1.18 0.00 2.73 6.16 43 D C C 83.06 5.03 14.82 21.21 110.63 -133.27 -92.62 115.67 96.66 2.86 0.49 84.66 10.80 1.14 0.17 0.31 0.00 1.46 1.47 44 P C C 73.25 9.94 10.40 21.37 96.77 -150.65 -66.00 -18.08 90.48 1.34 8.18 38.49 14.96 37.08 1.48 6.71 0.00 0.70 0.59 45 K C T 152.59 2.03 13.27 15.80 97.90 63.95 -82.62 -8.32 88.36 1.93 9.71 29.34 20.71 38.66 2.05 7.30 0.00 0.94 1.00 46 S C C 61.43 5.73 9.81 17.24 111.52 87.07 -89.87 125.84 85.21 2.46 12.32 50.03 22.09 12.53 3.02 9.55 0.00 1.05 1.74 47 S C C 78.88 4.36 10.34 16.33 102.23 -157.07 -86.08 0.98 68.28 1.61 30.11 31.91 14.82 21.49 4.18 25.98 0.00 0.77 0.85 48 S C T 77.36 3.42 10.86 15.93 105.54 90.82 -83.70 52.67 68.47 1.39 30.14 23.10 17.30 28.52 3.75 25.90 0.01 0.67 0.75 49 R C C 153.83 3.78 11.31 16.68 106.56 68.08 -90.46 59.68 70.40 2.39 27.21 34.29 18.66 17.90 4.45 22.29 0.01 1.11 1.30 50 L C C 79.23 8.39 9.62 19.34 115.85 101.45 -96.01 128.58 91.32 1.85 6.83 49.19 39.06 3.33 4.59 1.84 0.00 0.58 1.40 51 P C C 90.03 3.75 13.54 18.66 106.75 -125.23 -68.89 125.02 83.81 1.55 14.65 51.53 17.55 15.02 9.46 4.83 0.00 0.66 0.96 52 F C C 114.33 7.33 10.84 19.38 110.52 -105.27 -90.63 118.64 76.09 3.35 20.56 42.16 18.62 15.91 13.88 5.92 0.03 1.29 2.19 53 S C C 52.70 5.98 12.48 20.05 110.35 -145.00 -85.05 145.13 71.25 2.34 26.41 57.29 6.35 6.81 23.40 3.80 0.00 0.94 1.40 54 L H H 109.15 2.82 13.14 17.02 94.11 -120.53 -63.94 -35.04 11.99 0.11 87.90 3.47 2.37 6.47 85.29 2.25 0.05 0.05 0.06 55 R H H 132.84 3.80 14.59 19.55 92.36 55.34 -65.12 -39.56 5.85 0.03 94.12 0.93 0.63 4.05 92.50 1.83 0.02 0.01 0.02 56 F H H 75.03 9.27 13.20 23.65 92.31 51.17 -65.72 -40.55 1.94 0.01 98.05 0.39 0.20 1.22 96.91 1.26 0.01 0.00 0.00 57 F H H 104.12 4.63 15.98 21.53 92.12 51.05 -64.50 -41.25 0.28 0.00 99.72 0.07 0.02 0.15 99.57 0.19 0.00 0.00 0.00 58 L H H 84.60 3.67 17.68 21.77 92.12 50.16 -64.94 -41.19 0.20 0.00 99.79 0.03 0.01 0.12 99.72 0.10 0.00 0.00 0.00 59 I H H 56.76 9.40 16.24 26.82 92.25 49.87 -65.09 -41.45 0.14 0.00 99.86 0.02 0.01 0.08 99.83 0.05 0.00 0.00 0.00 60 T H H 46.99 8.66 16.49 26.29 91.96 51.29 -64.14 -41.18 0.12 0.00 99.88 0.02 0.01 0.07 99.85 0.05 0.00 0.00 0.00 61 I H H 88.28 3.38 19.75 22.90 91.85 49.87 -64.55 -41.67 0.13 0.00 99.87 0.01 0.00 0.08 99.84 0.07 0.00 0.00 0.00 62 I H H 61.87 7.87 17.81 26.76 91.96 49.54 -64.64 -41.92 0.14 0.00 99.86 0.01 0.00 0.10 99.78 0.11 0.00 0.00 0.00 63 F H H 63.43 12.36 16.36 29.35 91.90 50.91 -64.35 -40.87 0.27 0.00 99.73 0.02 0.01 0.21 99.53 0.24 0.00 0.00 0.00 64 L H H 83.21 5.09 19.27 24.47 91.81 51.02 -64.40 -40.93 0.67 0.00 99.32 0.03 0.02 0.59 98.95 0.41 0.00 0.00 0.00 65 I H H 83.50 4.35 19.75 24.32 92.12 49.08 -65.23 -41.33 1.74 0.00 98.26 0.08 0.07 1.54 97.81 0.50 0.00 0.00 0.00 66 F H H 51.22 13.17 16.62 30.39 92.11 49.96 -64.82 -40.99 2.33 0.00 97.66 0.25 0.15 1.65 97.56 0.37 0.00 0.00 0.00 67 D H H 58.40 9.50 17.93 27.93 91.93 52.46 -63.96 -40.82 1.30 0.00 98.70 0.30 0.09 0.69 98.70 0.23 0.00 0.00 0.00 68 V H H 78.71 3.16 20.78 23.18 92.02 49.59 -64.51 -42.02 0.58 0.00 99.42 0.07 0.03 0.38 99.25 0.27 0.00 0.00 0.00 69 E H H 58.15 10.32 17.94 29.13 92.12 49.98 -64.89 -40.95 0.62 0.00 99.38 0.06 0.03 0.43 99.06 0.42 0.00 0.00 0.00 70 I H H 46.36 13.72 16.49 30.65 91.63 50.41 -64.39 -40.27 0.59 0.00 99.41 0.03 0.02 0.46 98.67 0.81 0.00 0.00 0.00 71 A H H 57.88 4.70 19.23 23.96 91.64 52.41 -65.11 -38.01 1.92 0.00 98.08 0.05 0.04 1.90 96.16 1.84 0.00 0.00 0.00 72 L H H 86.32 5.36 18.93 24.83 92.62 49.82 -73.10 -32.10 13.13 0.00 86.87 0.09 0.17 14.69 83.05 1.99 0.00 0.00 0.00 73 I H H 40.53 15.21 15.31 30.63 93.71 51.22 -74.08 -30.67 8.68 0.00 91.32 0.10 0.29 8.72 90.02 0.85 0.01 0.00 0.00 74 L H H 71.77 8.82 17.68 27.24 91.85 65.93 -61.68 -42.71 3.73 0.00 96.27 0.28 0.25 2.83 92.23 4.41 0.00 0.00 0.00 75 P H H 68.49 3.83 19.60 23.55 91.54 51.51 -64.29 -38.52 2.76 0.01 97.23 0.28 0.15 2.01 92.74 4.81 0.00 0.00 0.00 76 M H H 52.43 11.23 16.66 28.82 92.27 51.48 -65.45 -40.45 0.86 0.00 99.13 0.09 0.06 0.59 95.27 3.98 0.00 0.00 0.00 77 I H H 49.83 12.03 15.95 28.86 92.00 51.04 -64.29 -41.03 1.21 0.01 98.78 0.15 0.09 0.86 96.00 2.90 0.00 0.00 0.00 78 I H H 87.52 3.83 18.44 22.37 92.01 50.38 -65.11 -40.40 3.81 0.02 96.18 0.29 0.24 3.12 92.75 3.58 0.01 0.01 0.00 79 I H H 73.61 5.29 15.73 22.34 92.41 50.01 -66.96 -38.12 9.51 0.05 90.44 0.84 0.82 7.68 86.75 3.82 0.04 0.03 0.02 80 M H H 60.02 11.64 11.82 24.30 92.69 55.44 -69.88 -28.73 27.11 0.43 72.46 5.93 4.16 17.69 65.39 6.26 0.12 0.21 0.25 81 K H H 130.09 4.52 14.18 19.65 93.84 58.37 -70.91 -23.84 47.24 0.57 52.19 10.94 5.86 30.50 46.03 6.01 0.06 0.27 0.33 82 Y C H 167.54 1.73 13.78 15.53 100.10 46.15 -93.56 -8.45 60.23 1.18 38.60 18.23 13.79 29.49 31.39 5.85 0.07 0.48 0.70 83 S C C 60.96 6.06 10.86 18.40 114.58 55.26 -104.81 56.95 79.80 1.90 18.30 30.98 27.85 21.13 14.61 3.57 0.03 0.75 1.08 84 N C C 90.75 3.74 14.02 18.69 110.20 -82.90 -87.51 113.73 87.80 1.26 10.94 67.38 8.24 11.64 9.06 2.40 0.00 0.65 0.64 85 I H H 95.16 7.56 11.01 20.00 94.54 -141.85 -63.70 -34.18 24.29 0.47 75.24 13.27 4.96 7.27 71.61 2.46 0.02 0.20 0.21 86 M H H 126.70 1.39 15.85 16.50 92.14 55.06 -64.56 -39.33 12.13 0.16 87.71 2.81 1.94 7.66 84.93 2.48 0.04 0.08 0.06 87 I H H 80.50 4.14 15.74 20.85 92.68 48.75 -67.05 -40.38 5.91 0.08 94.01 1.51 0.77 3.65 91.77 2.22 0.02 0.04 0.03 88 W H H 57.19 13.93 12.62 27.14 91.90 51.72 -64.63 -40.86 2.78 0.02 97.20 0.97 0.34 1.41 96.08 1.18 0.00 0.01 0.01 89 T H H 62.10 6.86 17.26 25.13 92.05 51.54 -64.15 -41.11 1.91 0.01 98.07 0.50 0.18 1.11 97.58 0.62 0.00 0.00 0.00 90 I H H 98.96 1.84 20.97 21.06 92.07 49.08 -64.65 -41.70 1.21 0.00 98.78 0.21 0.10 0.81 98.50 0.37 0.00 0.00 0.00 91 T H H 39.93 9.02 18.04 28.39 92.14 49.33 -64.93 -41.57 1.22 0.00 98.78 0.19 0.10 0.88 98.57 0.26 0.00 0.00 0.00 92 S H H 16.54 16.36 15.21 32.07 91.76 50.80 -63.86 -41.47 1.08 0.00 98.91 0.16 0.07 0.80 98.75 0.21 0.00 0.00 0.00 93 I H H 87.98 4.20 20.47 24.87 91.80 50.64 -64.14 -41.53 0.40 0.00 99.60 0.04 0.02 0.33 99.49 0.11 0.00 0.00 0.00 94 I H H 89.82 2.75 21.33 23.21 91.65 49.54 -64.26 -42.46 0.19 0.00 99.81 0.01 0.01 0.17 99.73 0.08 0.00 0.00 0.00 95 F H H 47.35 13.65 17.30 31.44 92.07 48.94 -64.91 -42.13 0.13 0.00 99.87 0.01 0.01 0.11 99.82 0.06 0.00 0.00 0.00 96 I H H 50.70 13.17 17.21 30.69 91.79 50.07 -64.09 -41.42 0.09 0.00 99.91 0.00 0.00 0.08 99.87 0.04 0.00 0.00 0.00 97 L H H 95.37 2.41 21.37 22.81 91.76 50.16 -64.24 -41.69 0.09 0.00 99.91 0.00 0.00 0.08 99.86 0.06 0.00 0.00 0.00 98 I H H 76.83 5.83 19.97 26.30 92.09 48.88 -65.17 -41.81 0.16 0.00 99.84 0.00 0.00 0.15 99.71 0.13 0.00 0.00 0.00 99 L H H 31.46 16.63 16.21 32.78 91.99 49.92 -64.76 -41.28 0.51 0.00 99.49 0.01 0.01 0.50 99.24 0.24 0.00 0.00 0.00 100 L H H 73.03 7.97 19.83 28.26 91.93 50.36 -64.22 -41.24 1.63 0.00 98.36 0.05 0.06 1.59 97.94 0.36 0.00 0.00 0.00 101 I H H 93.61 2.26 22.49 23.18 91.77 49.66 -64.63 -42.01 2.11 0.00 97.88 0.10 0.13 1.89 97.53 0.35 0.00 0.00 0.00 102 G H H 15.43 10.25 17.61 29.54 91.92 50.91 -64.24 -42.21 1.98 0.00 98.01 0.19 0.15 1.53 97.76 0.37 0.00 0.00 0.00 103 L H H 42.78 13.52 16.94 30.89 91.93 50.30 -64.27 -41.53 1.26 0.00 98.73 0.12 0.09 0.98 98.46 0.35 0.00 0.00 0.00 104 Y H H 118.78 3.68 20.25 23.75 91.78 50.20 -64.27 -41.82 0.67 0.00 99.33 0.08 0.05 0.49 99.05 0.32 0.00 0.00 0.00 105 H H H 91.62 3.38 18.94 22.37 91.86 49.63 -64.65 -41.73 0.55 0.00 99.44 0.05 0.04 0.44 99.05 0.41 0.00 0.00 0.00 106 E H H 38.91 10.75 13.94 26.46 91.99 49.73 -64.22 -41.21 0.79 0.01 99.20 0.07 0.06 0.66 98.56 0.65 0.00 0.00 0.00 107 W H H 104.54 8.38 13.77 23.34 92.15 49.21 -64.93 -40.82 1.35 0.01 98.64 0.08 0.08 1.22 97.65 0.96 0.01 0.00 0.00 108 N H H 112.80 1.73 14.92 16.73 91.75 51.37 -66.51 -31.59 6.61 0.01 93.38 0.15 0.22 6.55 92.21 0.84 0.01 0.00 0.00 109 Q C T 112.28 2.83 13.21 16.88 93.73 50.90 -86.81 -3.43 78.86 0.03 21.11 0.36 1.39 76.28 20.99 0.94 0.00 0.01 0.03 110 G C T 48.58 4.23 12.98 18.62 96.84 -112.24 78.84 12.32 97.62 0.02 2.36 0.90 2.45 94.59 1.72 0.31 0.00 0.01 0.01 111 M C S 97.36 5.63 13.06 20.27 95.99 120.67 -79.26 -16.23 97.26 0.42 2.32 27.05 47.20 22.97 0.75 1.58 0.00 0.20 0.25 112 L C S 62.07 13.02 10.04 22.99 113.97 52.97 -105.60 112.61 84.86 11.68 3.46 27.41 36.06 22.11 0.88 2.62 0.03 6.17 4.72 113 N C C 98.20 4.14 14.45 19.90 113.13 -166.18 -106.30 115.39 85.84 12.38 1.77 69.23 11.81 4.39 0.49 1.48 0.00 9.75 2.84 114 W C C 142.84 8.86 9.45 19.25 103.48 -170.12 -85.26 11.89 84.83 12.36 2.81 58.92 12.62 13.10 0.83 2.15 0.00 8.95 3.42 115 S C C 80.11 2.86 10.46 14.94 108.75 107.93 -90.63 93.45 93.74 4.98 1.28 80.30 3.29 10.18 0.31 0.85 0.00 4.01 1.05 116 N C C 120.89 2.79 12.04 16.39 105.64 -124.02 -89.35 61.21 99.89 0.10 0.01 99.77 0.13 0.03 0.00 0.00 0.00 0.06 0.01