# 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 87.25 9.91 12.91 23.54 113.91 -149.47 -90.80 130.53 99.76 0.14 0.10 99.63 0.13 0.07 0.06 0.01 0.00 0.06 0.03 1 T C C 73.66 6.31 11.12 18.83 110.98 -151.18 -87.28 141.25 69.35 2.45 28.20 64.63 1.28 3.94 26.24 1.72 0.00 1.34 0.86 2 E C H 133.73 2.63 11.78 15.58 98.47 -115.24 -71.07 -26.72 49.40 2.42 48.17 31.53 8.39 9.74 44.69 3.43 0.02 1.55 0.66 3 N H H 93.69 4.05 12.55 17.81 99.57 59.50 -77.96 -17.65 45.42 2.03 52.55 31.73 6.31 8.02 48.70 3.43 0.01 1.20 0.59 4 I H H 66.14 10.10 10.47 21.43 96.41 71.63 -69.59 -36.85 22.41 1.68 75.91 16.97 3.67 4.18 69.72 3.95 0.01 1.15 0.35 5 E H H 108.19 4.73 14.78 20.70 94.98 55.59 -66.79 -37.32 17.39 1.70 80.91 12.52 2.78 4.10 74.51 4.43 0.02 1.35 0.30 6 A H H 61.82 3.27 15.53 19.27 94.99 53.66 -68.55 -37.15 18.41 2.05 79.55 12.03 3.10 5.20 72.70 4.92 0.03 1.64 0.38 7 V H H 64.47 8.12 14.39 23.57 95.43 51.49 -71.90 -35.19 21.83 2.42 75.75 13.88 3.63 6.17 69.98 4.03 0.04 1.79 0.49 8 M H H 66.56 11.55 13.36 25.42 95.87 56.02 -70.62 -35.77 27.18 1.73 71.09 18.06 4.31 6.34 66.42 3.32 0.02 1.09 0.43 9 S H H 61.79 4.55 16.27 21.68 94.96 57.93 -67.89 -34.73 32.42 1.51 66.07 18.17 5.31 10.51 58.67 5.90 0.04 0.94 0.47 10 D H H 87.59 4.07 17.01 21.55 95.60 54.36 -74.07 -25.73 37.50 1.42 61.09 17.72 6.25 14.63 50.97 9.01 0.05 0.87 0.50 11 F H H 72.39 12.73 13.59 26.45 96.29 58.19 -74.02 -29.79 39.15 1.85 59.00 16.06 7.03 16.92 45.21 12.87 0.11 1.11 0.69 12 W C H 110.96 11.07 13.93 25.40 99.92 57.74 -86.26 -7.26 51.91 2.42 45.67 22.45 8.25 22.09 35.36 9.36 0.11 1.33 1.05 13 S C C 72.38 4.17 16.35 21.34 100.65 73.27 -83.31 -13.50 66.91 2.46 30.62 26.52 17.19 24.53 22.43 6.82 0.11 1.17 1.24 14 N C C 69.06 7.47 14.64 23.51 112.51 52.59 -107.53 107.41 96.31 1.22 2.47 63.01 32.07 1.28 1.93 0.51 0.00 0.44 0.75 15 P H G 55.56 12.47 13.07 26.34 94.97 -158.49 -63.52 -26.78 41.92 1.20 56.88 19.34 5.93 16.25 25.87 31.43 0.02 0.68 0.49 16 A H G 50.99 10.20 14.18 25.07 94.29 66.00 -69.56 -25.56 31.03 1.50 67.47 9.11 4.98 16.17 27.69 40.60 0.06 0.93 0.46 17 D H G 87.46 5.37 16.78 22.93 94.95 62.63 -75.98 -19.07 27.09 2.13 70.78 10.06 5.00 12.26 26.80 43.85 0.04 1.48 0.50 18 H H G 85.12 9.90 14.75 25.44 99.42 55.30 -90.93 -5.52 38.23 4.60 57.18 14.68 8.31 16.55 22.19 33.69 0.16 3.12 1.30 19 F C C 74.29 13.81 11.90 25.85 113.77 86.39 -93.04 122.82 62.23 12.10 25.68 33.14 17.97 11.55 11.65 13.16 0.22 5.53 6.79 20 R C C 102.14 7.48 13.97 22.84 112.17 -154.88 -97.77 119.32 93.12 3.35 3.52 70.93 19.40 2.72 2.38 1.19 0.00 1.89 1.49 21 P C T 89.15 6.10 13.37 20.91 95.14 -136.93 -62.64 -27.25 73.91 1.07 25.01 16.31 8.28 48.81 14.32 11.07 0.02 0.66 0.53 22 N C T 112.38 3.33 14.50 18.49 96.54 57.70 -84.11 0.07 70.52 1.35 28.13 13.05 8.93 47.68 17.69 11.13 0.03 0.88 0.60 23 L C C 62.60 12.37 11.08 23.88 108.27 88.38 -86.00 89.10 60.35 8.52 31.14 41.62 10.78 7.80 21.49 10.28 0.04 5.76 2.23 24 K C C 115.38 7.04 16.61 24.50 103.52 97.49 -83.94 -1.32 51.15 14.30 34.54 36.14 8.00 6.67 29.80 5.36 0.05 12.05 1.93 25 A H H 46.36 11.26 16.02 27.65 109.40 73.05 -93.15 96.54 32.16 26.34 41.49 20.95 5.67 5.62 35.18 5.74 0.12 24.72 1.99 26 L H H 59.04 12.89 16.71 29.85 110.50 52.17 -93.39 111.73 24.77 32.12 43.10 16.89 3.64 3.78 37.66 5.02 0.06 31.42 1.53 27 T H H 48.59 11.43 18.24 30.17 112.77 51.90 -99.29 126.21 25.51 32.00 42.49 17.65 3.46 3.80 37.10 4.94 0.05 31.50 1.50 28 L H H 56.96 13.32 16.55 30.04 108.73 -151.65 -90.64 99.35 28.22 26.28 45.50 17.24 4.87 5.96 38.98 5.59 0.14 25.52 1.70 29 Y H H 99.67 9.97 16.98 27.43 105.29 53.72 -89.05 18.04 34.18 21.20 44.63 20.63 6.01 7.55 38.61 5.40 0.15 19.84 1.81 30 A H H 46.19 10.15 15.03 25.87 108.84 58.15 -88.14 3.78 40.95 14.14 44.90 23.51 8.24 9.65 38.67 5.59 0.13 12.57 1.64 31 E C H 98.27 7.06 16.16 23.95 102.97 52.98 -78.33 5.52 47.45 8.91 43.64 25.30 9.62 12.94 38.08 5.28 0.10 7.35 1.33 32 R H H 101.70 10.27 14.57 25.24 99.44 65.28 -78.91 -10.54 44.58 5.50 49.92 25.37 8.55 11.66 44.27 4.81 0.06 4.14 1.14 33 Q H H 92.69 7.77 15.21 23.86 95.56 74.41 -67.61 -33.32 25.17 2.44 72.39 14.16 4.99 7.28 68.22 2.85 0.03 2.00 0.45 34 H H H 106.96 3.88 17.70 21.86 93.95 54.80 -67.28 -38.35 12.87 3.06 84.08 6.57 2.45 5.15 79.67 2.79 0.07 2.88 0.41 35 Y H H 67.71 10.84 16.79 28.51 93.25 51.03 -66.98 -40.66 7.90 3.49 88.61 4.40 1.55 3.00 85.13 2.05 0.05 3.50 0.33 36 V H H 30.29 14.20 15.61 30.65 93.06 50.96 -65.18 -42.10 4.05 2.30 93.65 2.27 0.74 1.52 91.57 1.28 0.02 2.45 0.16 37 D H H 73.10 4.85 19.93 25.09 92.23 51.03 -64.80 -40.70 4.82 1.38 93.80 2.27 0.78 2.18 91.56 1.60 0.02 1.46 0.13 38 R H H 110.81 5.57 20.17 25.98 92.45 49.57 -66.24 -41.19 6.72 1.08 92.19 2.13 0.90 4.06 89.89 1.79 0.03 1.05 0.14 39 W H H 56.56 14.82 17.45 32.48 92.80 49.74 -66.48 -41.17 7.27 0.92 91.81 2.34 0.97 4.32 89.90 1.47 0.03 0.84 0.13 40 L H H 51.92 10.94 17.99 29.68 92.46 52.21 -64.67 -40.49 12.33 0.70 86.97 3.92 1.63 7.46 84.86 1.41 0.06 0.51 0.16 41 H H H 97.47 3.50 20.20 23.61 92.17 51.03 -65.29 -40.13 15.19 1.09 83.71 5.14 1.96 8.98 80.98 1.79 0.07 0.82 0.25 42 V H H 42.29 9.09 17.01 27.68 92.32 51.20 -65.10 -42.25 6.65 0.57 92.78 3.10 1.02 3.37 90.26 1.69 0.04 0.42 0.11 43 K H H 59.32 13.67 15.15 29.02 92.81 51.24 -66.76 -38.00 4.98 0.48 94.54 2.01 0.65 2.73 91.95 2.17 0.03 0.39 0.08 44 E H H 98.00 6.56 16.61 24.09 93.14 52.04 -67.87 -33.66 5.65 0.32 94.04 1.29 0.56 3.88 91.24 2.69 0.03 0.25 0.06 45 R H H 146.42 2.63 18.04 20.51 98.23 41.16 -81.24 -33.67 12.27 0.34 87.39 1.19 0.90 10.31 84.40 2.78 0.09 0.24 0.11 46 W H H 103.97 8.95 15.37 25.21 103.25 31.51 -96.53 -30.50 36.70 0.69 62.61 2.41 3.20 30.76 59.99 2.70 0.23 0.36 0.35 47 L C H 43.75 14.22 11.95 26.26 104.02 46.10 -96.19 -3.42 54.80 2.76 42.44 12.21 11.20 32.50 36.52 4.40 0.36 1.12 1.69 48 A H G 48.88 6.66 14.73 22.74 108.56 121.02 -67.98 145.62 47.04 1.09 51.87 24.70 7.99 14.01 16.72 35.51 0.02 0.60 0.45 49 P H G 88.61 5.00 14.41 20.51 95.06 -9.84 -68.46 -19.93 32.79 0.87 66.34 5.50 4.53 21.50 17.34 50.27 0.02 0.55 0.29 50 W H G 145.94 6.15 14.60 21.70 100.21 51.72 -88.73 -10.48 31.06 2.24 66.71 5.57 4.45 19.86 17.42 50.42 0.04 1.70 0.54 51 Y H G 95.36 10.85 13.44 24.81 105.51 59.52 -93.07 19.46 42.40 7.50 50.10 16.68 10.60 16.71 17.81 30.60 0.36 4.13 3.09 52 L C C 57.84 11.46 13.32 25.68 112.90 105.71 -95.22 124.80 65.00 3.80 31.19 37.91 16.91 10.75 12.16 18.58 0.02 2.19 1.48 53 P C G 65.63 8.74 15.89 25.69 100.28 -139.33 -68.18 -10.44 59.60 1.72 38.68 24.51 9.86 25.59 9.47 28.90 0.01 0.97 0.69 54 W C G 132.67 8.87 16.20 25.41 100.18 58.49 -86.53 -5.62 55.52 3.48 41.00 18.25 10.50 28.05 9.46 30.31 0.04 2.09 1.31 55 W C C 103.32 11.89 15.27 27.43 106.45 64.89 -95.50 40.01 64.59 5.53 29.88 34.47 15.24 15.39 7.71 21.69 0.03 2.93 2.53 56 S C C 28.75 11.27 16.80 29.30 122.51 101.15 -103.39 146.88 92.03 3.22 4.75 61.23 29.57 1.24 4.27 0.75 0.00 1.20 1.73 57 P H H 58.08 10.96 17.77 29.59 92.43 -118.04 -60.88 -34.59 16.32 0.70 82.98 3.95 2.43 9.94 75.94 6.95 0.09 0.50 0.22 58 L H H 59.63 12.73 18.68 31.40 92.62 55.51 -65.40 -38.11 11.08 0.61 88.31 2.20 1.26 7.32 79.57 8.93 0.08 0.50 0.14 59 F H H 54.76 13.21 18.39 31.86 92.74 50.71 -66.32 -39.66 7.16 1.30 91.54 2.57 1.06 3.72 80.47 10.70 0.04 1.28 0.16 60 Q H H 59.71 11.70 19.77 31.73 92.66 52.18 -65.43 -40.42 10.31 4.18 85.51 4.87 1.71 4.58 77.31 6.94 0.08 3.96 0.54 61 L H H 55.49 11.64 19.70 31.59 92.88 51.81 -65.62 -39.63 9.88 3.81 86.32 4.20 1.72 4.85 79.93 5.17 0.12 3.54 0.48 62 G H H 20.82 12.13 18.65 31.32 93.35 52.58 -65.45 -39.19 13.08 2.15 84.77 4.45 1.90 7.11 78.01 5.99 0.11 2.08 0.34 63 T H H 47.29 10.56 19.58 30.54 93.79 50.86 -68.65 -38.95 17.24 2.35 80.41 5.16 2.51 10.06 73.12 6.33 0.17 2.22 0.42 64 W H H 85.41 10.54 19.23 30.27 94.21 50.31 -68.74 -39.32 19.14 3.46 77.41 7.20 3.51 9.72 69.99 5.77 0.20 2.95 0.66 65 Y H H 71.54 11.46 17.63 29.57 94.75 51.89 -68.67 -39.16 24.70 4.85 70.45 12.97 5.28 8.71 63.68 4.43 0.16 3.83 0.95 66 S H H 43.70 8.70 17.21 26.77 94.92 52.76 -68.59 -37.58 30.73 3.25 66.02 16.62 4.90 10.58 60.55 4.12 0.06 2.46 0.71 67 Q H H 89.17 7.21 17.46 25.35 94.36 51.95 -70.11 -35.46 31.73 2.55 65.72 12.47 6.76 14.43 58.48 5.23 0.16 1.77 0.72 68 R H H 108.18 8.25 17.06 25.84 95.84 48.93 -74.50 -33.32 38.85 1.97 59.18 13.19 8.35 18.56 53.24 4.67 0.14 1.18 0.67 69 S C H 42.26 10.59 16.07 27.22 97.64 48.63 -76.67 -28.60 49.42 1.83 48.75 21.65 8.93 19.58 43.87 4.25 0.05 1.00 0.66 70 R H H 114.96 8.37 17.45 26.29 95.54 62.50 -67.91 -29.33 45.99 3.12 50.89 23.31 9.51 14.03 45.33 4.93 0.07 1.93 0.89 71 N H H 68.08 9.59 18.15 28.17 97.08 56.54 -74.87 -20.69 43.55 5.52 50.93 27.26 6.80 9.97 45.53 5.07 0.04 4.33 1.01 72 L H H 52.38 12.63 17.09 30.01 97.50 62.31 -75.62 -25.88 25.82 13.70 60.48 16.23 4.36 5.78 52.55 6.51 0.10 13.29 1.19 73 F H H 75.45 10.93 17.95 29.34 98.85 64.00 -77.51 -17.77 18.15 22.95 58.90 10.31 2.95 4.74 51.94 5.78 0.13 22.91 1.24 74 L H H 59.91 10.42 17.27 28.39 99.70 56.61 -76.29 -23.63 17.14 26.44 56.42 9.88 2.76 4.37 50.12 5.34 0.11 26.10 1.32 75 V H H 54.39 10.76 15.48 27.01 101.54 55.54 -78.92 -27.47 22.10 23.47 54.43 12.74 3.74 5.81 48.37 4.83 0.17 22.69 1.66 76 E H H 94.80 7.68 15.63 24.07 100.60 55.53 -76.77 -17.99 35.61 14.29 50.10 16.08 6.53 13.15 44.26 5.04 0.26 12.97 1.71 77 N C H 82.29 7.63 14.11 22.69 101.47 46.65 -85.98 13.05 59.89 5.42 34.70 20.61 11.78 27.40 29.94 5.02 0.14 3.88 1.23 78 H C C 107.19 7.12 13.42 21.69 102.29 77.65 -88.49 23.52 69.43 5.68 24.89 28.55 13.39 27.78 19.53 5.39 0.07 3.76 1.52 79 L C C 92.06 7.86 12.56 21.51 104.42 119.73 -83.32 31.01 72.94 9.21 17.85 33.54 16.85 23.51 11.52 5.99 0.06 6.23 2.29 80 S C C 68.22 5.33 15.00 21.44 106.70 123.93 -91.54 71.82 76.17 12.21 11.62 41.07 16.01 19.91 6.25 5.05 0.02 9.17 2.52 81 Y C C 95.38 11.52 12.16 24.29 112.68 135.69 -97.43 121.87 75.08 16.06 8.86 48.75 18.69 7.47 5.66 3.53 0.04 10.89 4.99 82 R C C 121.64 6.54 16.06 23.88 118.50 -151.85 -101.66 134.86 85.31 10.76 3.93 65.20 17.66 2.23 3.21 1.12 0.00 8.14 2.44 83 P C C 56.91 10.96 14.19 26.06 110.48 -109.43 -67.99 143.64 76.50 9.06 14.44 62.95 6.89 5.55 12.25 3.17 0.00 7.07 2.12 84 Y C C 99.01 10.43 13.18 24.45 104.87 -129.17 -77.63 81.11 62.01 6.17 31.82 46.34 7.60 7.46 25.19 7.32 0.02 4.08 1.99 85 K H H 117.29 5.63 15.08 21.81 101.26 -146.32 -82.03 -11.74 41.59 6.96 51.45 24.52 8.44 9.63 38.31 12.31 0.11 5.12 1.56 86 F H H 101.40 7.71 13.02 21.90 105.20 66.00 -83.90 34.77 36.07 8.14 55.79 20.60 7.21 9.46 41.28 13.36 0.18 6.27 1.65 87 R H H 112.04 7.76 13.25 22.15 104.93 79.71 -83.00 29.14 39.14 7.18 53.68 25.90 6.36 7.83 42.05 10.76 0.06 5.41 1.64 88 R H H 118.44 6.72 12.66 20.70 109.05 57.52 -84.41 108.43 44.71 4.48 50.80 26.84 9.33 10.49 42.74 6.29 0.08 2.89 1.34 89 N C H 85.80 5.91 11.92 19.22 104.52 -150.93 -82.70 52.79 54.46 2.32 43.21 31.41 10.28 13.85 37.07 5.18 0.03 1.29 0.89 90 D H H 85.70 4.97 11.15 17.66 100.50 99.15 -78.64 -4.66 48.67 1.79 49.54 29.72 10.13 10.47 39.80 8.14 0.03 0.93 0.77 91 E H H 116.71 3.91 11.23 16.60 99.25 75.82 -73.94 -19.77 45.31 2.04 52.65 21.75 10.20 15.08 39.74 11.14 0.09 1.04 0.97 92 D C H 85.24 4.95 10.40 16.91 101.12 62.97 -83.51 -2.80 53.78 1.95 44.26 31.40 7.76 15.67 32.26 10.88 0.03 0.99 1.01 93 R C T 141.03 5.00 9.55 16.15 99.39 105.35 -76.91 -12.85 66.44 1.73 31.83 27.06 11.87 28.85 22.47 7.94 0.05 0.80 0.97 94 N C T 125.54 1.55 11.67 13.80 101.09 66.58 -88.26 6.20 77.91 1.90 20.19 27.85 17.62 33.42 12.59 6.58 0.03 0.84 1.07 95 N C C 83.22 5.83 7.95 15.61 112.54 106.84 -94.35 117.30 97.58 1.66 0.76 54.34 42.21 1.25 0.34 0.31 0.00 0.66 0.89 96 P C C 97.75 3.26 9.88 15.00 105.88 -130.67 -68.69 109.54 97.82 1.27 0.91 93.10 1.95 3.00 0.34 0.37 0.00 0.67 0.56 97 Y C C 146.39 5.51 10.39 17.46 110.10 -118.85 -87.02 113.86 99.21 0.63 0.15 98.38 0.49 0.37 0.07 0.05 0.00 0.27 0.37