# 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 R C C 147.33 4.61 13.26 19.33 114.56 -153.93 -93.12 127.21 99.79 0.08 0.13 99.68 0.10 0.08 0.09 0.01 0.00 0.03 0.02 1 H C C 116.85 5.98 9.73 17.11 111.61 -153.07 -91.08 123.51 71.08 1.29 27.64 65.25 1.14 4.84 25.70 1.90 0.00 0.59 0.58 2 R H H 144.92 4.58 10.20 16.32 105.02 -150.67 -82.60 20.72 49.17 1.35 49.49 36.10 6.31 7.13 45.43 3.84 0.00 0.71 0.46 3 K H H 129.08 3.53 12.24 17.08 105.19 75.29 -80.71 28.09 33.82 2.14 64.04 24.83 5.00 5.93 56.35 5.93 0.02 1.40 0.54 4 V H H 74.33 6.71 11.91 20.02 105.35 70.03 -80.57 1.60 24.64 2.73 72.63 18.28 3.83 4.73 63.69 6.85 0.02 2.05 0.55 5 L H H 70.65 9.76 12.15 22.74 102.53 55.73 -76.50 -14.18 21.80 2.17 76.03 15.25 3.55 5.03 66.23 7.81 0.02 1.63 0.47 6 R H H 125.11 7.45 13.93 22.28 98.56 67.11 -71.59 -29.18 23.64 1.51 74.85 13.52 4.15 7.54 64.28 9.01 0.04 1.03 0.43 7 D H H 93.45 4.57 15.11 20.61 97.45 61.38 -75.63 -23.05 30.97 0.78 68.26 10.45 5.28 15.72 56.92 10.76 0.10 0.45 0.32 8 N H H 88.22 6.75 15.49 23.04 100.83 51.03 -88.65 8.76 44.53 0.87 54.60 14.09 6.97 23.99 42.85 11.10 0.07 0.47 0.45 9 I C C 43.65 17.60 10.72 27.16 100.97 98.49 -87.46 7.33 59.74 3.45 36.80 33.02 8.59 18.81 24.88 11.10 0.05 1.84 1.72 10 Q C T 123.92 4.06 15.73 21.48 107.38 119.45 -73.47 117.28 82.18 2.15 15.67 15.52 7.46 58.86 10.99 4.88 0.03 1.26 0.99 11 G C T 52.65 3.51 18.16 22.16 98.82 22.14 83.63 -0.95 92.13 1.12 6.75 14.18 11.65 66.79 2.76 3.49 0.00 0.73 0.39 12 I C C 30.61 19.87 9.40 28.17 115.43 118.50 -89.78 129.90 95.92 3.07 1.02 81.79 13.02 0.79 0.71 0.32 0.00 1.15 2.22 13 T C C 70.08 3.52 21.32 24.33 123.37 -146.34 -90.54 161.21 97.09 1.96 0.95 95.17 1.70 0.27 0.84 0.10 0.00 0.54 1.38 14 K H H 108.73 10.68 14.06 25.31 92.29 -104.39 -58.37 -40.27 2.59 0.01 97.40 0.63 0.46 1.24 97.37 0.29 0.00 0.00 0.00 15 P H H 79.65 2.22 19.52 20.93 91.29 52.21 -63.27 -39.61 1.49 0.01 98.51 0.28 0.14 0.90 98.31 0.37 0.00 0.00 0.00 16 A H H 29.11 8.03 17.29 27.21 91.77 50.67 -64.57 -40.95 0.56 0.01 99.44 0.14 0.05 0.28 99.19 0.33 0.00 0.00 0.00 17 I H H 15.37 19.52 14.25 33.88 91.90 50.18 -64.36 -42.20 0.39 0.01 99.61 0.11 0.05 0.18 99.54 0.13 0.00 0.00 0.00 18 R H H 112.40 7.18 19.69 27.54 91.57 50.80 -63.34 -41.23 0.65 0.01 99.34 0.18 0.07 0.31 99.36 0.07 0.00 0.01 0.00 19 R H H 128.36 2.16 21.56 22.43 91.83 49.79 -64.48 -42.16 0.85 0.02 99.14 0.20 0.10 0.44 99.17 0.08 0.00 0.01 0.00 20 L H H 39.29 10.51 17.21 29.19 92.11 49.63 -64.83 -41.92 1.12 0.04 98.85 0.26 0.14 0.61 98.77 0.18 0.00 0.02 0.01 21 A H H 18.55 14.33 13.10 28.41 91.93 51.33 -63.56 -41.17 2.44 0.04 97.51 0.56 0.23 1.49 97.19 0.49 0.00 0.02 0.01 22 R H H 162.13 1.98 16.92 19.21 92.10 50.11 -65.57 -38.86 5.80 0.07 94.14 0.81 0.46 4.28 93.34 1.03 0.02 0.04 0.02 23 R H H 166.58 1.62 15.19 16.86 92.71 51.74 -68.65 -30.05 14.84 0.09 85.07 0.91 1.11 12.88 83.66 1.30 0.06 0.04 0.05 24 G C T 39.07 7.15 11.80 20.30 96.27 48.85 -86.87 -4.38 66.84 0.10 33.05 1.42 3.36 60.43 33.12 1.53 0.02 0.04 0.08 25 G C T 57.87 1.43 16.50 17.30 97.21 -109.58 80.27 12.47 99.19 0.12 0.69 11.94 5.54 81.88 0.28 0.25 0.00 0.07 0.03 26 V C C 46.07 14.00 7.40 21.19 114.09 149.13 -83.13 128.39 94.95 4.27 0.79 92.89 1.79 0.61 0.28 0.35 0.00 2.99 1.10 27 K C C 165.23 1.10 16.54 16.93 100.11 -172.90 -91.14 -22.06 94.13 5.17 0.71 65.41 25.84 3.04 0.15 0.61 0.00 4.32 0.63 28 R C C 154.15 2.65 16.99 20.42 126.10 23.67 -131.20 139.76 67.21 31.66 1.13 53.22 10.85 2.83 0.30 0.95 0.00 28.94 2.90 29 I E C 51.22 17.73 8.84 25.20 119.81 -169.24 -117.12 129.23 48.86 50.18 0.96 44.76 2.26 0.42 0.71 0.40 0.00 37.66 13.79 30 S C C 62.46 3.19 16.53 20.23 125.22 -165.38 -103.32 164.31 83.21 15.53 1.26 79.38 2.76 0.83 0.84 0.38 0.00 14.52 1.29 31 G H H 50.55 2.82 15.42 18.76 102.81 -26.86 10.59 -58.17 37.57 0.58 61.86 4.83 10.27 23.46 54.77 5.89 0.22 0.26 0.30 32 L H H 106.39 2.66 15.17 18.13 93.86 32.40 -69.28 -33.42 24.28 0.31 75.42 3.76 3.88 17.22 68.40 6.30 0.13 0.15 0.16 33 I H H 56.32 9.06 14.13 24.64 92.78 55.16 -65.04 -40.84 12.28 0.35 87.37 4.41 2.04 6.69 80.66 5.81 0.05 0.21 0.12 34 Y H H 69.99 12.31 14.06 27.03 92.10 52.66 -63.29 -42.04 3.58 0.08 96.33 1.64 0.55 1.58 94.54 1.61 0.01 0.05 0.02 35 E H H 117.83 2.52 19.10 21.52 92.02 50.00 -64.63 -40.95 2.16 0.03 97.81 0.64 0.26 1.21 96.75 1.11 0.00 0.01 0.01 36 E H H 105.18 3.27 19.51 22.74 92.51 48.11 -66.05 -41.19 3.36 0.02 96.62 0.50 0.31 2.38 95.68 1.11 0.01 0.01 0.01 37 T H H 26.56 14.52 16.10 31.15 92.85 48.09 -66.99 -40.69 5.91 0.02 94.07 0.75 0.52 4.35 93.61 0.75 0.01 0.01 0.01 38 R H H 91.93 11.51 18.16 29.73 91.72 53.08 -62.82 -41.33 2.68 0.01 97.31 0.46 0.22 1.75 97.26 0.30 0.00 0.00 0.00 39 G H H 34.72 2.95 20.89 23.46 91.67 50.82 -63.60 -41.56 2.74 0.00 97.26 0.31 0.17 2.04 97.12 0.37 0.00 0.00 0.00 40 V H H 61.90 6.12 20.25 27.16 91.82 49.56 -64.69 -41.94 0.58 0.00 99.42 0.10 0.04 0.35 99.35 0.16 0.00 0.00 0.00 41 L H H 31.95 15.45 16.77 32.61 91.86 50.59 -64.18 -41.85 0.13 0.00 99.87 0.02 0.00 0.07 99.85 0.05 0.00 0.00 0.00 42 K H H 99.77 7.36 19.75 27.66 91.84 51.83 -63.62 -41.28 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 43 V H H 79.38 2.67 21.38 23.14 91.61 49.86 -64.05 -42.60 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 44 F H H 75.03 9.00 19.61 29.30 91.96 48.84 -64.71 -42.20 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 45 L H H 34.97 15.17 17.13 32.65 91.97 50.09 -64.84 -41.44 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 46 E H H 95.05 5.23 20.64 26.30 91.71 51.14 -64.01 -41.28 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 47 N H H 77.68 3.74 21.59 25.11 92.02 49.36 -65.89 -40.74 0.35 0.00 99.65 0.02 0.01 0.25 99.70 0.02 0.00 0.00 0.00 48 V H H 33.40 12.98 18.64 32.33 92.39 49.17 -64.71 -42.93 0.51 0.00 99.49 0.05 0.03 0.33 99.55 0.04 0.00 0.00 0.00 49 I H H 49.52 12.64 18.92 31.92 91.93 50.34 -63.87 -42.44 0.41 0.00 99.59 0.08 0.03 0.22 99.57 0.09 0.00 0.00 0.00 50 R H H 134.51 2.61 23.11 25.03 91.57 50.02 -63.72 -41.87 0.47 0.00 99.53 0.07 0.03 0.30 99.48 0.11 0.00 0.00 0.00 51 D H H 64.10 5.72 21.65 27.69 91.97 48.67 -65.25 -40.91 0.92 0.00 99.07 0.13 0.06 0.63 99.02 0.16 0.00 0.00 0.00 52 A H H 15.56 15.55 16.64 33.06 91.98 51.13 -63.94 -41.96 1.37 0.01 98.62 0.22 0.11 0.89 98.50 0.26 0.00 0.00 0.00 53 V H H 59.69 7.38 19.95 28.20 91.84 49.99 -64.27 -41.48 2.42 0.04 97.54 0.48 0.28 1.49 97.35 0.37 0.01 0.02 0.01 54 T H H 72.46 2.28 21.85 22.72 91.84 49.70 -64.53 -42.19 4.45 0.11 95.44 1.10 0.57 2.64 94.98 0.60 0.01 0.06 0.03 55 Y H H 75.17 8.35 17.50 27.06 92.33 48.60 -65.92 -40.77 6.03 0.21 93.76 1.70 0.93 3.55 92.29 1.32 0.03 0.12 0.06 56 T H H 27.07 12.47 13.03 26.79 92.22 51.30 -66.41 -39.00 8.97 0.22 90.80 3.07 1.23 4.70 88.83 1.95 0.02 0.13 0.06 57 E H H 126.28 2.18 16.82 19.10 92.52 52.43 -65.57 -38.11 14.93 0.15 84.92 2.59 1.59 10.39 83.18 2.08 0.03 0.08 0.06 58 H H H 137.62 1.68 14.86 16.30 93.93 48.22 -73.33 -26.84 25.66 0.20 74.15 3.38 3.32 18.87 72.39 1.80 0.06 0.08 0.11 59 A C T 45.77 9.34 9.07 19.32 99.85 60.10 -84.78 -3.94 66.91 0.58 32.51 15.62 15.31 34.30 32.15 2.02 0.02 0.19 0.38 60 K C T 178.19 0.63 14.65 13.89 96.06 -127.27 38.21 20.69 92.73 0.31 6.96 22.22 16.12 54.43 5.11 1.79 0.00 0.13 0.19 61 R C C 114.94 5.99 10.16 18.07 124.87 107.70 -111.86 146.90 93.37 0.99 5.64 58.13 23.16 12.14 3.04 2.46 0.00 0.42 0.64 62 K C S 160.55 2.25 14.07 17.28 97.10 -146.09 -82.02 -17.09 96.32 1.44 2.24 31.59 58.71 6.36 0.96 1.09 0.00 0.91 0.38 63 T C C 84.90 3.42 17.76 22.04 128.80 39.65 -132.83 144.45 72.83 24.51 2.66 46.70 22.86 4.19 1.28 1.58 0.00 19.56 3.83 64 V C C 28.97 18.91 10.36 28.71 119.82 -156.27 -111.41 129.99 66.47 32.62 0.92 61.71 4.62 0.27 0.88 0.23 0.00 24.54 7.76 65 T C C 62.41 4.27 22.09 26.02 124.31 -145.77 -90.69 162.82 80.83 18.53 0.64 81.42 1.07 0.13 0.62 0.08 0.00 14.55 2.14 66 A H H 49.77 12.72 14.11 27.27 91.10 -104.95 -58.26 -39.23 1.91 0.01 98.08 0.32 0.25 1.16 97.88 0.38 0.00 0.00 0.00 67 M H H 110.85 3.03 20.58 23.44 91.43 54.44 -63.91 -40.22 0.59 0.00 99.40 0.07 0.04 0.40 99.21 0.28 0.00 0.00 0.00 68 D H H 44.76 10.25 19.01 30.18 91.92 50.26 -65.43 -40.23 0.20 0.00 99.80 0.03 0.01 0.12 99.58 0.26 0.00 0.00 0.00 69 V H H 13.03 20.14 16.50 36.65 91.84 49.71 -64.15 -43.39 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 70 V H H 53.57 8.29 20.63 29.80 91.34 49.98 -63.31 -42.75 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 71 Y H H 106.55 3.20 22.81 25.37 91.44 49.01 -64.00 -42.14 0.23 0.00 99.77 0.02 0.01 0.17 99.73 0.08 0.00 0.00 0.00 72 A H H 13.46 12.46 16.84 31.23 91.42 50.89 -63.13 -42.78 0.54 0.00 99.46 0.06 0.03 0.37 99.36 0.18 0.00 0.00 0.00 73 L H H 30.06 14.31 15.14 30.31 92.05 49.83 -64.32 -41.19 1.63 0.01 98.37 0.24 0.13 1.09 97.99 0.54 0.00 0.00 0.00 74 K H H 132.98 2.83 17.19 20.76 91.95 50.52 -65.20 -39.30 4.28 0.02 95.70 0.54 0.30 3.11 94.87 1.16 0.00 0.01 0.01 75 R H H 152.62 2.63 15.50 18.82 92.80 50.96 -68.66 -32.24 12.65 0.05 87.29 0.97 0.91 10.45 86.33 1.28 0.02 0.02 0.03 76 Q C H 93.86 7.29 12.53 20.97 96.55 49.45 -87.31 -5.78 53.81 0.21 45.98 2.75 4.20 44.85 46.37 1.58 0.03 0.07 0.14 77 G C T 55.32 2.74 14.53 18.14 98.95 -112.17 78.31 12.52 94.85 0.34 4.81 19.48 9.41 66.27 3.50 1.04 0.00 0.16 0.14 78 R C C 118.67 7.08 11.83 20.52 119.45 131.57 -99.86 142.12 92.72 2.71 4.57 79.21 10.07 3.28 2.94 1.61 0.00 1.31 1.59 79 T C C 79.74 5.76 13.55 20.84 117.88 -141.72 -97.78 139.86 90.32 5.17 4.51 82.50 4.86 2.85 2.42 1.83 0.00 2.86 2.68 80 L C C 89.81 9.54 11.07 21.35 105.01 -137.23 -83.56 11.84 82.04 6.74 11.23 38.25 23.87 20.94 3.55 6.81 0.04 3.20 3.34 81 Y C T 150.93 4.72 12.16 18.16 109.23 38.70 -90.50 92.02 84.73 4.56 10.70 17.87 24.69 42.59 3.05 7.09 0.04 2.44 2.23 82 G C T 55.74 2.86 12.04 16.10 103.60 -19.61 80.36 3.26 89.34 3.07 7.60 32.91 23.84 32.98 1.56 5.77 0.00 1.54 1.39 83 F C C 130.82 5.41 8.76 15.71 106.69 103.42 -91.88 40.54 90.27 4.96 4.77 57.71 15.31 17.26 1.42 3.08 0.00 2.36 2.87 84 G C C 55.40 2.71 11.23 15.47 108.49 -73.94 87.57 11.79 96.45 2.01 1.55 79.04 4.59 13.02 0.39 0.92 0.00 1.23 0.81 85 G C C 50.94 3.84 12.86 18.31 111.97 -45.52 86.82 -1.50 99.87 0.10 0.02 99.36 0.40 0.16 0.01 0.01 0.00 0.06 0.02