# 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 H C C 82.74 8.50 16.89 26.20 106.70 -155.81 -96.77 98.69 99.88 0.06 0.06 99.80 0.07 0.05 0.04 0.00 0.00 0.02 0.02 1 F H H 60.32 10.64 15.01 26.94 95.64 91.38 -68.70 -34.82 12.22 0.10 87.68 7.41 0.95 4.42 82.49 4.61 0.00 0.05 0.06 2 I H H 29.37 18.35 11.16 28.78 93.25 54.71 -65.54 -38.48 7.24 0.04 92.72 1.19 0.75 4.87 82.37 10.78 0.01 0.02 0.01 3 D H H 92.35 4.20 14.83 20.37 92.18 52.90 -66.61 -34.03 4.82 0.02 95.16 0.63 0.40 3.32 83.82 11.81 0.00 0.01 0.01 4 Q H H 127.30 1.68 16.30 17.60 93.56 50.92 -72.15 -29.88 10.43 0.02 89.55 0.57 0.86 8.66 81.25 8.60 0.03 0.01 0.02 5 H C T 61.62 12.18 12.68 25.75 101.75 35.78 -111.38 10.60 61.77 0.09 38.14 7.19 4.20 49.22 35.91 3.35 0.00 0.03 0.10 6 R H H 75.16 17.05 12.85 29.16 92.97 112.08 -59.26 -42.60 1.08 0.00 98.92 0.32 0.07 0.49 98.68 0.43 0.00 0.00 0.00 7 A H H 69.38 3.14 19.43 22.85 91.98 53.18 -64.03 -40.05 0.20 0.00 99.80 0.02 0.01 0.14 99.36 0.48 0.00 0.00 0.00 8 A H H 46.76 4.95 19.97 25.61 91.88 50.23 -65.17 -40.46 0.08 0.00 99.92 0.00 0.00 0.05 99.38 0.56 0.00 0.00 0.00 9 L H H 7.57 22.51 14.79 37.40 91.70 50.50 -64.17 -42.89 0.11 0.00 99.89 0.01 0.00 0.07 99.39 0.52 0.00 0.00 0.00 10 I H H 34.29 17.71 17.27 34.65 91.62 51.13 -64.67 -37.77 0.73 0.00 99.27 0.03 0.03 0.62 98.14 1.19 0.00 0.00 0.00 11 A H H 75.04 2.83 22.22 24.90 90.91 57.35 -68.84 -26.09 17.93 0.00 82.07 0.15 0.26 19.39 78.79 1.40 0.01 0.00 0.00 12 R C T 104.08 9.80 19.29 29.45 96.33 50.15 -94.21 -10.21 55.38 0.04 44.58 1.00 1.32 52.77 43.28 1.57 0.00 0.01 0.03 13 V C C 11.58 24.14 11.14 34.81 112.11 95.85 -85.65 122.64 88.91 5.56 5.53 79.39 6.13 2.19 5.13 0.87 0.00 1.83 4.46 14 T C C 77.53 5.96 21.81 28.30 102.99 172.25 -101.23 -23.99 90.66 3.06 6.28 66.75 16.25 7.47 5.11 1.47 0.00 1.46 1.49 15 N C C 75.31 7.29 22.38 29.84 110.89 31.25 -121.34 93.08 91.67 1.76 6.58 67.42 13.34 10.58 5.35 1.53 0.00 0.80 0.97 16 V H H 8.49 25.00 13.03 38.00 94.57 167.05 -68.44 -32.46 21.58 0.22 78.20 16.71 2.90 3.03 75.37 1.79 0.00 0.08 0.11 17 E H H 99.34 9.09 19.68 29.46 91.50 62.98 -61.02 -40.27 3.60 0.04 96.36 1.18 0.50 1.86 93.77 2.64 0.00 0.02 0.01 18 W H H 131.99 3.82 22.80 26.25 92.00 50.41 -65.60 -40.10 1.82 0.03 98.15 0.56 0.21 1.01 95.31 2.88 0.00 0.02 0.00 19 L H H 8.95 21.09 17.53 38.81 92.14 49.79 -64.64 -43.24 1.07 0.02 98.91 0.34 0.13 0.55 97.14 1.81 0.00 0.02 0.00 20 L H H 10.67 22.14 17.13 39.07 91.53 50.97 -63.35 -41.52 0.96 0.01 99.03 0.23 0.10 0.56 97.50 1.59 0.00 0.01 0.00 21 D H H 86.94 3.70 22.30 26.17 91.41 52.36 -64.29 -38.03 2.53 0.02 97.45 0.31 0.19 1.89 94.53 3.07 0.01 0.01 0.00 22 A H H 43.93 8.85 19.56 29.17 91.68 53.33 -69.06 -31.68 7.55 0.03 92.42 0.57 0.53 6.51 88.53 3.80 0.02 0.02 0.02 23 L H H 11.93 22.14 13.57 35.44 95.97 51.79 -82.18 -15.33 22.85 0.39 76.76 3.73 2.84 17.16 71.54 4.18 0.14 0.19 0.23 24 Y C H 107.08 13.02 16.23 28.93 104.29 109.45 -43.79 110.82 51.01 5.90 43.09 16.58 7.27 28.02 36.21 5.21 0.48 2.40 3.83 25 G C T 54.66 3.29 17.20 21.33 97.02 5.86 78.11 -2.42 76.41 0.61 22.98 7.52 9.04 59.21 18.49 4.93 0.04 0.26 0.51 26 K C T 136.93 3.44 18.58 22.77 102.58 60.31 -93.24 -25.81 82.97 0.28 16.75 6.04 13.16 63.85 12.02 4.52 0.01 0.12 0.28 27 V C T 39.34 16.34 15.78 31.48 102.92 31.72 -99.01 -31.38 80.61 4.36 15.03 12.33 22.67 45.77 10.62 3.81 0.23 1.87 2.69 28 L C C 16.29 21.32 11.14 31.79 127.68 38.37 -121.28 143.41 90.32 8.89 0.79 53.82 35.72 0.75 0.63 0.19 0.00 2.24 6.66 29 T C C 67.02 3.08 20.04 22.55 122.65 -127.50 -82.12 164.87 99.21 0.52 0.27 98.75 0.53 0.12 0.21 0.02 0.00 0.18 0.20 30 D H H 105.32 4.29 13.67 19.98 91.06 -101.58 -58.01 -38.32 1.70 0.00 98.30 0.31 0.21 0.90 98.20 0.37 0.00 0.00 0.00 31 E H H 132.44 1.14 17.99 17.48 91.52 51.94 -64.38 -40.56 0.86 0.00 99.14 0.09 0.05 0.59 98.78 0.48 0.00 0.00 0.00 32 Q H H 52.62 11.49 15.52 27.93 92.06 48.80 -66.29 -40.17 0.40 0.00 99.60 0.06 0.02 0.24 99.16 0.52 0.00 0.00 0.00 33 Y H H 32.22 18.60 13.26 31.69 91.54 51.92 -62.84 -42.51 0.17 0.00 99.83 0.02 0.01 0.09 99.78 0.10 0.00 0.00 0.00 34 Q H H 99.47 2.79 21.10 23.36 91.41 50.64 -63.47 -40.85 0.21 0.00 99.79 0.02 0.01 0.14 99.76 0.08 0.00 0.00 0.00 35 A H H 52.27 3.79 20.63 24.53 91.65 50.49 -64.64 -41.45 0.47 0.00 99.53 0.03 0.02 0.36 99.38 0.21 0.00 0.00 0.00 36 V H H 8.04 21.64 13.55 35.26 91.81 50.09 -65.53 -40.10 1.30 0.00 98.70 0.07 0.07 1.05 98.12 0.69 0.00 0.00 0.00 37 R H H 104.74 12.64 17.17 29.65 91.09 56.41 -68.24 -24.49 13.92 0.01 86.07 0.45 0.56 12.75 85.35 0.88 0.01 0.00 0.01 38 A C T 82.03 1.97 18.59 19.96 93.30 59.94 -80.01 -12.82 57.08 0.09 42.82 3.31 4.96 46.36 43.72 1.53 0.01 0.02 0.08 39 E C S 85.96 8.16 13.18 22.88 122.57 88.26 -94.13 146.67 99.30 0.26 0.44 24.89 73.48 0.98 0.31 0.08 0.00 0.06 0.20 40 P C C 100.79 2.99 18.75 22.35 113.64 -102.04 -67.87 144.91 99.10 0.56 0.34 91.35 6.52 1.24 0.14 0.13 0.00 0.20 0.41 41 T C C 30.68 20.96 9.07 28.26 116.82 -132.58 -95.38 136.68 98.39 1.34 0.27 87.56 9.96 0.45 0.15 0.09 0.00 0.29 1.51 42 N C C 83.76 3.32 21.48 24.11 118.86 -134.92 -88.51 147.52 99.51 0.13 0.36 95.02 4.33 0.14 0.33 0.03 0.00 0.03 0.11 43 P H H 74.18 10.33 13.10 24.38 91.70 -118.96 -58.57 -36.59 5.83 0.00 94.17 0.46 0.44 4.58 92.72 1.79 0.00 0.00 0.00 44 S H H 73.71 1.69 19.09 19.65 91.72 53.29 -64.67 -39.33 4.65 0.00 95.35 0.33 0.28 3.76 93.54 2.08 0.00 0.00 0.00 45 K H H 77.52 8.39 17.74 27.12 92.19 48.80 -66.59 -39.51 1.36 0.00 98.64 0.25 0.12 0.85 97.01 1.78 0.00 0.00 0.00 46 M H H 12.79 22.00 13.46 35.23 91.57 52.14 -62.83 -42.46 0.77 0.00 99.23 0.16 0.06 0.45 98.50 0.83 0.00 0.00 0.00 47 R H H 108.36 8.33 20.59 29.40 91.48 51.82 -63.12 -40.66 0.65 0.00 99.35 0.06 0.03 0.46 98.23 1.22 0.00 0.00 0.00 48 K H H 111.25 3.18 23.49 26.15 91.71 50.83 -64.58 -41.02 0.86 0.00 99.14 0.04 0.03 0.68 96.61 2.64 0.00 0.00 0.00 49 L H H 12.39 20.24 17.68 38.06 92.11 50.73 -64.16 -42.41 1.00 0.00 99.00 0.05 0.04 0.77 94.54 4.60 0.00 0.00 0.00 50 F H H 31.16 20.26 17.58 37.22 91.75 52.13 -65.97 -33.37 3.45 0.00 96.54 0.14 0.14 2.96 86.19 10.56 0.00 0.00 0.00 51 S H H 73.38 3.97 22.10 26.72 91.25 59.33 -68.78 -23.23 31.77 0.01 68.22 0.45 0.65 31.53 57.68 9.68 0.01 0.00 0.01 52 F C T 84.57 10.76 18.65 29.95 95.02 52.72 -90.77 -10.12 60.38 0.07 39.55 1.98 3.81 53.99 31.20 8.90 0.01 0.02 0.09 53 T C S 15.08 22.44 11.50 33.21 113.66 93.85 -86.36 126.62 97.90 0.51 1.59 46.23 50.39 1.28 0.88 0.50 0.00 0.11 0.62 54 P C T 89.52 4.91 20.59 26.22 94.55 -150.00 -69.11 -20.92 91.50 0.39 8.12 28.26 16.19 46.41 1.08 7.62 0.00 0.17 0.26 55 A C T 55.82 8.97 19.73 28.70 106.87 45.07 -93.54 -0.94 90.19 0.89 8.93 29.95 12.68 47.12 1.21 8.09 0.00 0.44 0.50 56 G C C 15.78 21.13 12.07 31.47 107.07 125.15 -81.47 90.88 92.81 2.16 5.03 68.65 17.99 5.32 1.27 4.07 0.00 0.72 1.98 57 N C C 68.26 4.82 21.75 26.62 132.22 151.35 -114.41 174.29 96.29 1.30 2.41 70.58 23.92 1.31 2.04 0.44 0.00 0.27 1.44 58 W H H 162.20 6.35 16.35 24.15 91.95 -87.16 -61.63 -36.16 6.07 0.01 93.92 0.55 1.33 3.92 93.67 0.52 0.00 0.00 0.01 59 T H H 87.67 2.32 21.44 23.15 92.12 52.83 -64.70 -41.14 4.06 0.00 95.93 0.30 0.39 3.15 95.53 0.61 0.00 0.00 0.00 60 C H H 10.71 18.01 16.24 34.79 91.78 48.80 -65.09 -41.91 1.63 0.00 98.37 0.26 0.14 1.09 97.91 0.59 0.00 0.00 0.00 61 K H H 44.72 18.21 18.38 35.74 91.41 52.55 -62.07 -42.83 0.46 0.00 99.54 0.10 0.03 0.25 99.47 0.15 0.00 0.00 0.00 62 D H H 73.96 4.27 24.44 28.56 91.55 50.27 -64.29 -41.43 0.30 0.00 99.70 0.04 0.01 0.19 99.69 0.07 0.00 0.00 0.00 63 L H H 55.44 9.06 23.54 33.15 91.74 50.02 -64.62 -42.07 0.14 0.00 99.86 0.01 0.00 0.10 99.84 0.05 0.00 0.00 0.00 64 L H H 3.66 25.11 19.25 44.39 91.49 49.90 -63.65 -43.39 0.16 0.00 99.84 0.01 0.00 0.12 99.84 0.03 0.00 0.00 0.00 65 L H H 30.17 16.22 22.24 38.13 91.60 50.45 -63.30 -42.11 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 66 Q H H 96.13 2.71 26.49 28.07 91.51 49.94 -64.01 -41.63 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 67 A H H 9.21 13.95 19.50 35.16 91.39 50.64 -62.85 -43.34 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 68 L H H 8.00 22.26 15.74 38.17 91.34 49.59 -63.87 -41.56 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 69 R H H 118.61 8.07 18.12 26.97 91.56 51.41 -64.65 -38.65 0.37 0.00 99.63 0.02 0.01 0.28 99.62 0.07 0.00 0.00 0.00 70 E H H 135.86 1.58 19.50 20.15 94.17 46.24 -71.76 -36.87 2.06 0.00 97.93 0.04 0.06 1.90 97.88 0.12 0.00 0.00 0.00 71 S H H 52.10 8.89 16.05 25.75 100.67 31.38 -94.76 -29.70 7.47 0.01 92.52 0.11 0.53 6.69 92.50 0.15 0.00 0.00 0.00 72 Q C C 41.00 14.83 12.30 27.47 111.60 20.43 -134.89 66.80 97.83 0.09 2.09 82.16 9.84 5.37 2.31 0.21 0.00 0.02 0.09 73 S H H 60.67 6.14 15.44 23.60 93.13 161.74 -61.75 -36.49 5.83 0.01 94.16 0.69 0.40 4.44 91.58 2.89 0.00 0.00 0.00 74 Y H H 128.13 3.13 20.24 23.18 91.86 55.11 -64.50 -38.95 2.66 0.00 97.34 0.14 0.14 2.30 95.14 2.28 0.00 0.00 0.00 75 L H H 15.72 17.25 16.34 34.19 92.15 50.24 -65.49 -41.67 0.81 0.00 99.19 0.12 0.05 0.53 97.59 1.71 0.00 0.00 0.00 76 V H H 15.46 17.02 14.93 32.69 91.58 50.39 -63.29 -42.27 0.41 0.00 99.59 0.07 0.03 0.23 99.04 0.62 0.00 0.00 0.00 77 E H H 104.47 2.21 20.36 21.57 91.40 50.76 -63.55 -41.44 0.90 0.00 99.10 0.10 0.05 0.62 98.31 0.92 0.00 0.00 0.00 78 D H H 67.96 5.50 17.05 23.72 91.89 50.28 -65.92 -38.65 3.28 0.00 96.72 0.21 0.15 2.58 95.82 1.23 0.00 0.00 0.00 79 L H H 25.45 18.49 11.49 29.59 92.48 52.47 -68.29 -32.76 10.26 0.01 89.73 0.90 0.75 8.04 89.16 1.13 0.00 0.00 0.01 80 E H H 114.66 5.91 13.81 21.10 93.95 56.11 -74.50 -19.13 46.64 0.21 53.15 16.76 1.37 25.92 54.72 1.01 0.00 0.06 0.15 81 R C C 163.41 2.59 14.76 18.40 101.35 76.40 -77.57 24.03 99.95 0.01 0.04 99.67 0.10 0.19 0.03 0.00 0.00 0.00 0.00