# 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 129.84 4.17 11.17 16.82 116.26 -158.47 -97.83 132.09 99.81 0.18 0.01 99.78 0.08 0.03 0.00 0.00 0.00 0.08 0.02 1 S C C 82.11 3.25 8.48 13.66 115.97 -150.76 -94.96 137.37 94.12 4.94 0.94 91.01 1.32 2.19 0.34 0.38 0.00 2.73 2.03 2 G C C 57.31 2.31 8.66 12.57 113.49 -145.84 -97.82 144.83 91.94 6.15 1.91 64.50 15.55 11.73 0.46 1.59 0.00 3.76 2.40 3 G C C 54.80 2.73 8.53 12.89 114.77 -74.25 -88.82 163.61 91.62 5.34 3.04 47.97 27.93 15.93 0.58 2.61 0.00 2.89 2.10 4 S C C 92.17 1.67 9.17 12.06 106.25 -93.76 -89.52 29.34 89.97 5.09 4.94 45.64 28.42 16.12 1.06 3.88 0.00 2.52 2.36 5 T C C 104.30 2.27 8.60 12.35 105.49 58.99 -90.36 20.27 89.56 3.39 7.05 38.88 26.35 24.69 1.29 5.62 0.00 1.67 1.51 6 G C C 51.97 2.90 10.15 14.56 111.57 -117.98 64.10 16.66 90.71 3.46 5.82 39.16 31.49 20.47 1.02 4.67 0.00 1.80 1.40 7 E C C 141.98 2.14 10.51 14.05 111.55 5.85 -89.80 120.31 87.80 7.28 4.93 53.65 26.68 7.79 1.37 3.40 0.00 3.68 3.43 8 R C C 118.95 6.62 8.98 17.28 117.74 -134.42 -95.28 135.98 93.05 6.13 0.83 64.40 28.71 0.68 0.58 0.28 0.00 3.20 2.16 9 P C C 70.33 3.80 12.37 17.78 114.09 -106.70 -66.78 151.50 83.51 14.44 2.04 82.60 1.42 0.34 1.91 0.21 0.00 4.53 8.98 10 F H H 143.35 2.99 11.59 16.22 92.64 -113.61 -59.29 -36.53 5.51 0.04 94.44 1.44 0.86 3.21 91.74 2.69 0.01 0.02 0.02 11 S H H 67.49 2.69 13.43 16.97 92.32 55.79 -65.25 -36.98 2.16 0.02 97.82 0.43 0.23 1.37 94.99 2.96 0.00 0.01 0.01 12 D H H 73.17 4.49 13.50 19.42 92.95 52.19 -67.10 -38.27 0.86 0.01 99.12 0.25 0.09 0.46 96.20 2.99 0.00 0.01 0.00 13 I H H 84.31 4.24 13.94 19.50 92.72 51.51 -65.80 -41.21 1.15 0.02 98.83 0.27 0.12 0.67 97.36 1.56 0.00 0.02 0.00 14 I H H 92.82 2.81 15.63 18.75 92.91 49.00 -66.26 -40.76 3.41 0.10 96.49 0.77 0.41 2.13 95.66 0.93 0.01 0.06 0.02 15 T H H 62.32 4.19 14.96 20.39 93.14 49.32 -66.50 -40.79 11.95 0.20 87.85 2.75 1.55 7.10 87.67 0.76 0.01 0.08 0.08 16 S H H 50.12 4.68 14.66 20.81 93.14 52.77 -64.99 -41.07 15.66 0.28 84.06 5.79 2.14 6.77 84.44 0.64 0.01 0.11 0.10 17 V H H 82.97 2.59 16.24 18.93 92.36 49.81 -65.39 -41.45 4.22 0.09 95.70 1.63 0.59 1.79 95.61 0.32 0.00 0.04 0.02 18 R H H 129.22 2.85 16.11 19.41 92.22 50.22 -65.08 -40.86 1.60 0.05 98.35 0.58 0.17 0.79 98.18 0.24 0.00 0.03 0.01 19 Y H H 107.85 5.11 14.97 21.34 92.23 50.15 -65.03 -41.48 0.57 0.03 99.40 0.20 0.05 0.28 99.30 0.13 0.00 0.03 0.00 20 W H H 132.98 3.51 15.62 20.03 92.21 50.42 -64.66 -41.63 0.23 0.02 99.75 0.06 0.02 0.13 99.71 0.07 0.00 0.02 0.00 21 I H H 91.46 2.59 16.29 19.07 92.06 49.08 -64.74 -42.24 0.23 0.02 99.75 0.04 0.01 0.15 99.71 0.07 0.00 0.02 0.00 22 I H H 81.17 4.12 15.50 20.71 92.45 47.91 -65.58 -41.81 0.48 0.03 99.50 0.07 0.03 0.33 99.39 0.14 0.00 0.02 0.00 23 H H H 94.70 5.54 14.39 21.31 92.70 48.44 -66.74 -38.34 1.53 0.01 98.46 0.12 0.08 1.26 98.20 0.33 0.00 0.00 0.00 24 S H H 64.47 3.31 15.37 19.41 95.15 46.91 -74.58 -35.94 8.42 0.01 91.56 0.25 0.34 8.08 90.43 0.87 0.01 0.00 0.01 25 I H H 102.06 2.61 15.78 18.57 102.25 35.59 -90.79 -37.63 37.51 0.05 62.45 0.54 1.52 35.31 61.14 1.40 0.04 0.01 0.04 26 T H H 62.58 5.54 14.69 21.52 100.56 38.09 -86.00 -30.56 30.66 0.06 69.28 1.58 2.01 26.42 68.33 1.57 0.03 0.02 0.05 27 I H H 73.21 6.67 14.37 22.44 92.99 57.94 -63.15 -43.40 5.34 0.02 94.65 1.62 1.05 2.50 93.83 0.98 0.00 0.00 0.01 28 P H H 70.50 3.62 16.60 21.00 92.15 49.91 -64.36 -40.28 3.08 0.01 96.91 1.00 0.29 1.65 95.80 1.24 0.00 0.01 0.01 29 S H H 55.37 3.73 16.82 21.20 92.34 50.79 -65.66 -39.82 0.80 0.00 99.19 0.17 0.06 0.49 97.87 1.40 0.00 0.00 0.00 30 L H H 73.97 6.64 15.85 23.61 92.40 50.19 -65.45 -41.07 0.76 0.01 99.22 0.11 0.06 0.52 98.35 0.95 0.00 0.01 0.00 31 F H H 101.38 5.93 16.71 23.42 92.63 49.00 -65.80 -41.35 1.93 0.06 98.01 0.22 0.15 1.52 97.31 0.73 0.02 0.04 0.01 32 V H H 81.05 2.85 18.35 21.13 92.07 49.02 -64.99 -41.70 2.15 0.04 97.81 0.31 0.20 1.56 97.49 0.40 0.01 0.02 0.01 33 S H H 52.37 3.97 17.70 22.41 91.75 50.82 -64.28 -40.85 3.23 0.02 96.75 0.40 0.25 2.47 96.12 0.72 0.01 0.01 0.01 34 G H H 23.06 8.51 15.14 25.23 92.05 51.45 -64.47 -40.34 4.46 0.02 95.51 0.41 0.29 3.61 94.56 1.10 0.02 0.01 0.01 35 W H H 124.57 5.10 17.05 22.98 92.07 51.49 -64.56 -41.27 2.67 0.04 97.29 0.38 0.26 2.02 95.61 1.69 0.02 0.02 0.01 36 L H H 90.43 2.80 17.85 20.67 92.15 50.41 -65.23 -41.12 3.37 0.11 96.52 0.47 0.37 2.63 94.54 1.84 0.05 0.07 0.02 37 F H H 88.85 5.55 15.67 22.52 92.66 48.73 -66.04 -41.01 6.34 0.39 93.28 1.32 0.97 4.54 90.24 2.41 0.17 0.23 0.12 38 I H H 69.71 8.45 13.87 23.49 93.00 49.65 -65.90 -40.20 10.01 0.66 89.33 2.10 1.51 7.14 84.77 3.51 0.32 0.42 0.23 39 S H H 71.29 3.56 15.24 19.47 93.02 52.46 -68.59 -29.53 18.87 0.36 80.77 2.16 2.05 15.22 77.31 2.73 0.18 0.19 0.16 40 T C T 80.22 3.17 14.74 18.45 96.75 49.19 -87.74 -9.38 64.26 0.36 35.38 2.38 6.12 54.18 34.09 2.74 0.07 0.14 0.27 41 G C T 41.07 6.17 13.32 20.98 96.20 -115.28 77.39 4.42 80.20 0.45 19.35 7.38 9.09 62.07 18.65 2.31 0.02 0.19 0.29 42 L H H 86.41 4.15 14.87 20.23 96.12 115.54 -72.58 -32.38 40.55 0.74 58.71 21.13 7.00 13.62 49.74 7.73 0.04 0.37 0.38 43 A H H 36.57 8.31 12.78 22.76 95.36 57.41 -68.98 -35.74 24.73 1.06 74.22 9.21 4.78 12.09 62.21 10.46 0.17 0.66 0.43 44 Y H H 105.02 6.48 12.94 20.88 94.96 57.33 -69.30 -36.56 13.20 0.97 85.83 4.50 2.72 7.05 72.54 11.99 0.23 0.66 0.31 45 D H H 96.26 3.02 13.46 17.50 95.22 56.27 -71.25 -33.72 13.09 0.75 86.16 3.91 2.29 7.50 73.82 11.52 0.21 0.52 0.23 46 V H H 103.52 2.90 12.47 16.25 96.98 49.12 -74.95 -33.38 19.21 0.62 80.16 2.86 3.15 13.68 70.11 9.11 0.44 0.35 0.31 47 F H H 138.92 3.07 11.19 15.34 100.97 36.70 -96.72 -3.39 33.30 0.82 65.89 3.81 6.92 24.13 59.43 4.33 0.49 0.32 0.58 48 G C C 52.45 2.45 12.69 16.17 107.36 -107.06 83.27 13.61 97.69 0.92 1.39 34.16 30.31 33.45 0.55 0.67 0.00 0.45 0.41 49 T C C 79.47 5.00 10.92 17.68 121.09 16.91 -103.58 142.43 98.47 1.44 0.09 64.39 33.88 0.45 0.03 0.05 0.00 0.61 0.59 50 P C C 76.74 6.45 11.51 19.52 114.35 -104.67 -68.12 148.73 97.74 2.13 0.13 84.16 12.95 0.44 0.05 0.07 0.00 0.71 1.61 51 R C C 121.24 6.21 11.58 19.47 114.64 -115.58 -85.32 130.90 99.25 0.59 0.16 95.17 3.86 0.20 0.06 0.05 0.00 0.18 0.48 52 P H G 82.90 6.51 10.95 19.00 97.51 -124.71 -62.93 -25.41 41.78 0.56 57.66 15.42 5.41 20.32 9.51 48.79 0.00 0.31 0.24 53 N H G 115.38 3.17 11.91 16.28 98.41 59.09 -81.84 3.10 38.23 0.52 61.26 7.93 5.43 23.79 11.83 50.51 0.00 0.29 0.21 54 E H G 118.65 3.86 12.24 17.55 104.82 83.45 -86.36 46.25 35.19 1.16 63.65 12.52 7.73 15.66 11.55 51.42 0.01 0.68 0.43 55 Y C C 114.38 7.48 10.79 19.53 107.68 72.83 -99.13 52.28 59.16 6.05 34.79 30.06 15.61 14.91 11.80 21.29 0.11 2.96 3.26 56 F C C 89.58 8.58 8.74 18.73 117.66 76.94 -105.26 132.52 87.26 8.43 4.30 63.79 19.87 2.57 2.87 1.56 0.00 3.38 5.96 57 T C C 72.49 3.52 11.25 16.29 119.24 -155.87 -97.83 160.18 92.84 3.36 3.80 78.93 11.03 2.59 2.72 1.20 0.00 1.74 1.77 58 Q C T 138.45 1.87 10.25 13.29 95.82 -104.16 -62.73 -32.53 55.89 0.85 43.26 9.54 13.64 32.19 23.31 20.16 0.09 0.40 0.68 59 D C T 116.68 1.20 10.66 12.07 96.22 52.67 -77.37 -12.71 56.11 0.62 43.28 9.26 10.58 35.20 22.91 21.19 0.06 0.29 0.50 60 R C H 127.04 5.71 8.73 15.89 100.42 59.83 -84.68 1.38 49.54 2.17 48.29 19.12 10.55 20.24 24.47 23.28 0.10 1.04 1.20 61 Q C C 114.26 4.35 9.96 15.96 98.97 91.30 -79.80 -11.49 63.57 2.46 33.97 34.60 12.61 16.64 22.66 11.04 0.03 1.27 1.15 62 Q C C 134.12 1.88 12.33 14.89 105.44 68.33 -89.30 38.40 74.03 4.42 21.55 40.25 16.32 17.90 13.18 8.03 0.02 2.78 1.51 63 V C C 83.12 5.96 9.41 17.12 116.12 85.24 -96.95 131.22 90.90 4.41 4.69 56.60 32.87 1.63 4.00 0.91 0.00 2.84 1.15 64 P C C 78.20 5.46 11.58 18.75 112.27 -112.95 -67.99 145.88 82.03 11.00 6.97 77.94 2.49 1.68 5.80 1.37 0.00 7.02 3.72 65 L C C 112.06 4.18 11.25 17.04 110.68 -137.37 -87.64 126.54 67.28 15.45 17.27 47.15 14.31 5.69 14.00 4.13 0.08 9.05 5.59 66 V C C 85.27 6.44 8.97 16.88 113.52 -131.55 -94.62 124.36 54.44 17.80 27.76 39.18 9.46 6.12 22.26 5.92 0.13 12.53 4.39 67 N C C 109.01 2.99 11.75 16.11 109.34 -166.24 -90.88 16.87 55.44 6.45 38.11 32.47 12.26 11.60 30.32 7.27 0.08 4.52 1.48 68 D C H 92.58 3.12 13.02 16.94 106.48 2.01 -87.39 91.19 53.38 2.48 44.15 29.86 10.23 14.20 36.21 7.18 0.04 1.45 0.84 69 R H H 128.62 6.53 11.10 18.95 94.91 -146.06 -67.70 -32.36 30.12 0.90 68.97 12.47 6.44 12.47 60.21 7.47 0.07 0.50 0.36 70 F H H 125.24 2.69 13.71 17.03 94.05 55.13 -69.10 -35.65 27.35 0.82 71.84 10.52 5.86 12.25 64.60 5.93 0.07 0.44 0.34 71 S H H 54.67 2.96 15.05 18.58 94.08 53.26 -68.20 -36.28 29.88 0.58 69.54 18.74 4.80 7.03 65.62 3.31 0.01 0.27 0.22 72 A H H 37.97 7.10 11.92 21.07 92.86 58.66 -63.47 -41.37 6.51 0.08 93.41 3.48 1.08 2.18 92.00 1.20 0.00 0.04 0.02 73 K H H 115.78 3.29 15.37 19.48 92.38 51.17 -65.05 -40.68 2.27 0.03 97.71 0.87 0.31 1.04 96.95 0.80 0.00 0.01 0.00 74 Q H H 104.02 1.63 16.34 17.12 92.11 50.21 -65.34 -40.49 1.66 0.03 98.32 0.64 0.20 0.80 97.61 0.73 0.00 0.01 0.00 75 E H H 93.44 3.24 14.90 19.02 92.16 50.68 -65.00 -41.00 1.15 0.02 98.83 0.44 0.13 0.54 98.44 0.43 0.00 0.01 0.00 76 L H H 74.25 4.49 13.21 19.32 91.80 50.27 -64.43 -40.99 0.86 0.01 99.13 0.30 0.08 0.41 98.89 0.30 0.00 0.01 0.00 77 E H H 107.01 1.90 14.28 16.31 91.72 50.79 -64.07 -40.77 1.04 0.01 98.96 0.28 0.09 0.56 98.76 0.31 0.00 0.00 0.00 78 D H H 88.06 1.52 13.60 14.90 91.91 50.44 -65.08 -39.93 2.12 0.01 97.86 0.42 0.18 1.35 97.46 0.58 0.00 0.00 0.00 79 L H H 96.04 2.64 11.39 15.17 92.58 50.19 -66.47 -37.82 4.14 0.02 95.84 0.66 0.36 2.84 95.27 0.86 0.00 0.01 0.01 80 T H H 88.13 2.54 10.10 13.95 94.15 50.38 -71.95 -27.15 13.35 0.07 86.59 2.09 1.36 9.48 85.84 1.14 0.02 0.02 0.04 81 K H H 153.63 1.27 9.75 11.71 96.88 58.56 -74.85 -14.17 46.83 0.17 53.00 4.21 4.08 37.14 52.49 1.88 0.03 0.06 0.12 82 G C T 60.70 1.24 10.39 12.19 100.24 11.10 12.95 4.79 76.28 0.12 23.60 20.54 2.02 51.75 23.96 1.60 0.00 0.05 0.08 83 L C C 109.94 3.77 9.25 14.75 103.88 106.21 -81.56 26.39 99.93 0.02 0.04 99.81 0.08 0.07 0.02 0.00 0.00 0.01 0.00