# 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 114.46 5.84 11.82 19.17 113.68 -154.23 -90.68 130.48 99.95 0.03 0.01 99.87 0.07 0.04 0.00 0.00 0.00 0.01 0.00 1 E C C 129.24 4.10 10.12 16.12 113.33 -147.10 -86.53 132.62 97.47 1.52 1.01 94.94 0.73 2.25 0.37 0.33 0.00 0.75 0.64 2 Q C C 129.82 2.67 11.13 15.57 116.31 -135.08 -93.29 135.71 96.13 2.77 1.10 78.76 14.39 2.60 0.45 0.64 0.00 1.09 2.07 3 A C C 55.00 8.28 9.09 18.76 116.78 -109.52 -75.20 146.52 99.17 0.49 0.33 89.97 8.77 0.50 0.15 0.14 0.00 0.20 0.27 4 P C C 66.70 7.37 10.50 19.65 113.03 -103.84 -66.04 149.49 93.45 0.58 5.97 86.48 2.94 4.42 1.46 4.09 0.00 0.28 0.33 5 E C T 145.85 2.29 12.11 15.52 103.98 -113.18 -75.50 56.91 81.96 1.10 16.94 31.33 18.57 31.49 2.50 14.90 0.00 0.47 0.74 6 D C C 101.82 4.01 10.25 15.92 105.04 2.12 -88.21 80.05 82.51 1.36 16.13 33.99 17.95 30.26 2.33 14.05 0.00 0.60 0.82 7 Q C C 113.65 4.82 9.79 16.25 106.16 153.99 -95.19 23.27 87.02 1.63 11.35 53.39 22.76 10.30 2.58 8.96 0.00 0.61 1.40 8 G C C 34.64 4.86 10.97 17.49 126.59 -141.63 131.44 175.84 92.28 1.27 6.45 51.24 34.20 6.83 2.01 4.18 0.00 0.46 1.07 9 P C G 106.28 2.47 11.44 14.91 104.43 -48.74 -68.22 115.93 66.55 0.82 32.63 23.82 13.17 29.06 3.75 29.37 0.00 0.39 0.45 10 Q C G 133.73 2.43 10.67 14.59 103.81 33.11 -80.87 16.36 64.04 1.58 34.38 25.06 12.55 26.92 4.37 29.57 0.00 0.78 0.75 11 R C C 136.15 5.76 10.20 17.62 110.29 71.95 -91.20 110.22 67.56 2.32 30.11 37.62 16.90 13.04 5.80 24.20 0.01 1.03 1.41 12 E C C 103.39 6.07 11.58 19.35 116.36 -129.49 -92.20 136.24 92.50 1.10 6.41 59.98 29.31 3.19 4.87 1.50 0.00 0.36 0.80 13 P C C 80.16 6.08 12.88 20.46 106.61 -113.35 -67.69 131.45 77.46 0.94 21.61 53.72 7.55 15.97 16.79 4.94 0.00 0.41 0.62 14 Y C H 116.21 8.86 12.49 22.23 108.53 -135.50 -87.94 100.21 59.60 0.94 39.45 28.49 11.32 20.74 32.47 5.95 0.03 0.37 0.64 15 N H H 67.26 8.68 13.40 23.22 109.18 -130.05 -86.11 112.10 49.29 0.53 50.18 29.63 8.22 11.88 45.58 4.17 0.01 0.20 0.32 16 E H H 117.77 4.81 14.99 21.12 94.74 -144.96 -65.00 -34.56 9.75 0.07 90.17 4.96 1.77 3.33 88.42 1.45 0.00 0.03 0.04 17 W H H 139.79 3.18 17.36 20.72 92.61 53.95 -65.31 -41.13 2.80 0.02 97.18 1.03 0.40 1.36 96.45 0.73 0.00 0.01 0.01 18 T H H 32.13 11.74 15.59 28.52 92.35 50.28 -65.18 -41.58 1.16 0.01 98.83 0.47 0.13 0.53 98.45 0.41 0.00 0.00 0.00 19 L H H 43.25 11.58 16.07 28.73 91.92 50.77 -63.99 -41.22 0.34 0.00 99.66 0.10 0.03 0.16 99.57 0.13 0.00 0.00 0.00 20 E H H 103.04 2.55 21.24 22.99 91.81 50.61 -64.14 -41.39 0.23 0.00 99.77 0.05 0.02 0.12 99.74 0.06 0.00 0.00 0.00 21 L H H 63.86 6.55 19.50 27.01 91.85 50.26 -64.27 -42.06 0.20 0.00 99.80 0.04 0.01 0.12 99.78 0.05 0.00 0.00 0.00 22 L H H 27.84 16.42 16.11 33.04 91.87 50.28 -64.56 -41.07 0.14 0.00 99.86 0.02 0.01 0.08 99.85 0.03 0.00 0.00 0.00 23 E H H 90.14 6.43 20.18 27.20 91.62 51.68 -63.42 -41.36 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 24 E H H 109.07 2.21 22.29 23.17 91.71 49.84 -64.56 -41.25 0.16 0.00 99.84 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 25 L H H 38.37 12.40 17.98 31.27 92.12 49.53 -64.93 -41.85 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.04 0.00 0.00 0.00 26 K H H 64.52 14.44 17.43 31.63 91.67 51.58 -63.19 -41.61 0.36 0.00 99.63 0.04 0.02 0.23 99.65 0.06 0.00 0.00 0.00 27 S H H 59.47 2.73 21.54 23.43 91.74 50.43 -64.43 -41.78 0.93 0.00 99.07 0.09 0.05 0.64 99.05 0.16 0.00 0.00 0.00 28 E H H 84.71 4.11 20.48 24.74 92.10 49.37 -65.26 -41.18 2.11 0.00 97.88 0.17 0.15 1.62 97.51 0.54 0.00 0.00 0.00 29 A H H 13.56 16.00 13.56 30.44 92.00 51.51 -65.28 -38.84 4.26 0.01 95.73 0.39 0.30 3.34 94.08 1.88 0.01 0.01 0.00 30 V H H 61.26 10.45 14.73 26.08 91.77 53.46 -68.46 -29.04 14.81 0.06 85.13 1.05 0.97 12.41 79.50 5.97 0.04 0.03 0.04 31 R H H 176.60 1.10 18.48 18.17 92.75 56.24 -72.01 -26.56 32.58 0.05 67.37 0.86 1.30 30.54 63.10 4.10 0.03 0.02 0.04 32 H H H 112.10 5.03 15.68 21.59 101.28 33.15 -100.21 -20.50 44.74 0.07 55.19 1.14 3.47 40.06 52.37 2.83 0.04 0.02 0.07 33 F C S 48.01 15.17 9.21 24.35 126.19 45.95 -122.15 144.38 99.34 0.35 0.30 6.79 92.24 0.43 0.21 0.03 0.00 0.07 0.24 34 P C C 75.71 2.58 17.83 20.06 113.72 -102.05 -64.64 146.74 99.22 0.19 0.58 97.95 0.90 0.47 0.46 0.05 0.00 0.06 0.12 35 R H H 135.11 8.35 11.80 21.50 92.70 -113.55 -58.49 -37.84 4.53 0.01 95.45 1.25 0.74 2.28 94.93 0.79 0.00 0.00 0.00 36 I H H 114.37 1.62 17.24 18.13 91.59 54.21 -64.05 -39.50 1.80 0.00 98.19 0.23 0.16 1.28 97.44 0.88 0.00 0.00 0.00 37 W H H 110.09 5.92 16.99 23.98 92.07 49.45 -65.71 -40.70 0.56 0.00 99.43 0.10 0.04 0.35 98.63 0.88 0.00 0.00 0.00 38 L H H 21.60 17.30 13.50 31.07 91.74 50.71 -63.88 -42.51 0.29 0.00 99.71 0.05 0.02 0.17 99.47 0.30 0.00 0.00 0.00 39 H H H 90.89 6.73 19.12 26.68 91.73 50.36 -64.03 -41.07 0.53 0.00 99.47 0.05 0.02 0.36 99.38 0.18 0.00 0.00 0.00 40 N H H 83.06 2.60 22.01 23.52 91.92 50.10 -64.49 -41.59 1.01 0.00 98.99 0.08 0.05 0.74 98.93 0.19 0.00 0.00 0.00 41 L H H 42.79 11.29 19.39 31.56 91.96 49.83 -64.57 -42.08 1.25 0.00 98.75 0.11 0.08 0.87 98.77 0.18 0.00 0.00 0.00 42 G H H 10.13 16.40 16.55 33.42 91.64 52.24 -62.77 -41.91 1.53 0.00 98.47 0.16 0.10 1.00 98.59 0.14 0.00 0.00 0.00 43 Q H H 93.43 3.86 21.86 25.58 91.51 50.70 -64.47 -41.19 0.91 0.00 99.09 0.11 0.07 0.56 99.13 0.13 0.00 0.00 0.00 44 H H H 89.33 3.94 21.03 24.95 91.96 50.07 -64.39 -42.00 0.92 0.00 99.08 0.11 0.06 0.64 99.03 0.16 0.00 0.00 0.00 45 I H H 24.54 14.19 15.38 30.73 92.13 49.70 -64.22 -42.61 0.90 0.00 99.09 0.11 0.07 0.61 99.05 0.15 0.00 0.00 0.00 46 Y H H 79.12 11.61 14.48 26.75 92.01 49.64 -64.76 -40.44 0.78 0.00 99.22 0.10 0.07 0.53 99.05 0.25 0.00 0.00 0.00 47 E H H 142.14 1.24 17.85 17.95 92.89 47.38 -68.78 -37.75 1.71 0.00 98.29 0.12 0.11 1.41 97.92 0.43 0.01 0.00 0.00 48 T H H 84.47 3.15 16.31 20.00 100.49 36.04 -86.96 -37.73 4.78 0.01 95.21 0.20 0.33 4.18 94.82 0.45 0.01 0.00 0.00 49 Y H H 96.39 8.92 12.50 22.66 103.90 22.58 -110.37 -9.78 17.25 0.09 82.66 1.70 3.73 12.03 81.84 0.56 0.04 0.02 0.07 50 G C C 32.07 5.13 16.16 22.72 121.49 -127.80 85.23 170.14 97.99 0.39 1.62 62.90 19.17 16.04 0.77 0.69 0.00 0.16 0.26 51 D C C 89.18 9.24 13.28 23.28 101.89 -67.95 -84.67 46.01 97.58 0.81 1.61 63.67 29.03 4.85 0.77 0.75 0.00 0.28 0.66 52 T C S 69.52 3.74 18.21 22.53 127.28 117.07 -115.57 162.25 80.49 1.23 18.27 25.11 49.72 4.88 17.84 1.24 0.01 0.27 0.93 53 W H H 138.69 9.77 14.31 24.77 92.69 -103.78 -59.95 -36.23 12.62 0.09 87.29 2.45 3.02 7.71 84.29 2.40 0.05 0.03 0.06 54 A H H 63.00 3.36 19.64 22.95 92.03 55.13 -64.72 -39.37 8.82 0.07 91.11 2.00 1.19 5.53 88.25 2.94 0.02 0.03 0.03 55 G H H 12.68 10.91 16.62 29.37 92.28 51.01 -64.58 -40.96 5.86 0.06 94.08 2.23 0.79 2.90 91.71 2.33 0.01 0.03 0.03 56 V H H 21.60 17.31 16.89 34.46 91.93 51.37 -64.11 -42.72 1.11 0.01 98.88 0.45 0.13 0.45 98.66 0.30 0.00 0.00 0.00 57 E H H 85.73 7.33 22.33 29.93 91.81 51.12 -63.60 -41.59 0.23 0.00 99.77 0.06 0.02 0.10 99.77 0.06 0.00 0.00 0.00 58 A H H 39.03 5.88 22.44 29.09 91.60 50.65 -63.92 -42.13 0.12 0.00 99.88 0.02 0.01 0.06 99.88 0.03 0.00 0.00 0.00 59 I H H 25.66 16.79 19.81 36.62 92.30 49.88 -64.46 -42.79 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 60 I H H 38.65 15.17 20.24 35.33 91.85 50.06 -63.66 -42.32 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 61 R H H 121.18 4.54 23.10 27.80 91.74 50.63 -64.24 -41.61 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 62 I H H 61.10 8.47 21.57 30.63 91.82 49.18 -64.69 -42.47 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 63 L H H 26.86 17.06 18.83 35.94 91.78 50.15 -64.49 -42.13 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 64 Q H H 69.42 10.63 20.78 31.51 91.62 51.47 -63.51 -41.13 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 65 Q H H 89.04 4.68 22.18 26.90 91.91 50.30 -64.76 -40.81 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 66 L H H 46.04 11.14 19.21 31.05 92.03 50.24 -64.78 -41.41 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 67 L H H 47.67 12.84 18.75 31.90 91.81 50.88 -63.89 -41.83 0.29 0.00 99.71 0.02 0.01 0.21 99.69 0.06 0.00 0.00 0.00 68 F H H 95.41 5.80 20.20 26.46 92.08 49.98 -64.50 -41.58 0.50 0.00 99.50 0.05 0.02 0.37 99.41 0.15 0.00 0.00 0.00 69 I H H 70.80 5.76 19.38 25.90 92.03 50.74 -64.44 -42.31 0.69 0.00 99.31 0.08 0.05 0.47 99.16 0.24 0.00 0.00 0.00 70 H H H 66.14 10.29 17.71 28.73 92.36 49.51 -65.32 -41.18 1.54 0.01 98.45 0.21 0.11 1.09 97.99 0.59 0.00 0.00 0.00 71 F H H 88.08 8.06 17.63 26.42 92.65 48.53 -65.99 -40.57 3.38 0.02 96.60 0.50 0.30 2.41 95.35 1.42 0.01 0.01 0.01 72 R H H 120.60 4.77 17.94 23.44 93.20 50.86 -66.67 -38.17 6.94 0.06 93.00 1.01 0.69 5.13 91.11 1.99 0.02 0.03 0.02 73 I H H 76.45 6.18 16.41 23.75 93.86 49.35 -67.93 -37.86 16.05 0.16 83.79 2.22 1.96 12.15 80.79 2.66 0.07 0.08 0.08 74 G H H 34.31 6.53 15.64 23.28 94.88 49.64 -68.63 -31.45 35.76 0.41 63.83 7.30 4.95 24.18 60.24 2.87 0.07 0.18 0.23 75 C C H 59.41 7.73 12.90 21.94 100.27 57.58 -77.84 -12.40 55.23 1.49 43.28 25.91 9.90 20.45 37.70 4.62 0.04 0.67 0.71 76 R C H 146.32 3.64 14.88 19.61 98.67 75.42 -75.72 -23.29 56.89 1.98 41.13 29.84 11.94 15.86 35.68 4.84 0.05 0.94 0.85 77 H C H 114.56 5.19 13.23 19.71 101.83 61.78 -82.93 -3.04 58.48 1.49 40.03 34.26 10.91 13.16 35.31 4.99 0.02 0.73 0.62 78 S C H 56.05 7.07 12.30 20.78 105.11 86.91 -79.67 24.94 54.59 1.41 44.00 36.62 8.33 9.37 39.65 4.77 0.01 0.74 0.50 79 R H H 145.32 4.04 14.15 19.40 98.24 69.59 -74.21 -24.59 40.92 2.36 56.72 26.73 7.24 8.16 51.06 4.69 0.03 1.39 0.69 80 I H H 90.25 5.28 13.70 20.29 98.17 60.35 -74.17 -33.06 31.87 1.84 66.29 18.68 5.98 8.43 61.23 4.00 0.05 1.15 0.49 81 G H H 33.39 5.31 14.39 21.10 97.24 50.78 -64.14 -38.02 35.05 1.18 63.77 21.77 5.56 8.38 59.81 3.45 0.02 0.67 0.34 82 V H H 69.92 4.95 13.50 19.96 94.82 54.26 -68.50 -38.57 24.36 0.94 74.71 16.83 3.92 4.79 70.88 2.81 0.01 0.53 0.24 83 T H H 67.87 3.88 14.24 19.30 93.79 51.79 -66.63 -39.64 18.64 0.68 80.68 13.42 2.69 3.78 77.06 2.50 0.01 0.40 0.16 84 R H H 130.56 2.88 14.40 18.02 93.14 50.74 -66.37 -39.16 11.53 0.32 88.15 7.18 1.88 3.40 84.67 2.59 0.01 0.19 0.08 85 Q H H 98.69 2.98 14.00 17.81 93.34 51.08 -66.74 -38.82 10.04 0.27 89.69 5.58 1.59 3.61 86.19 2.78 0.01 0.17 0.07 86 R H H 125.50 2.93 13.71 17.57 92.88 51.91 -66.41 -39.62 9.12 0.25 90.63 4.56 1.56 3.65 87.16 2.83 0.01 0.16 0.07 87 R H H 134.21 2.56 13.43 16.81 92.84 51.39 -66.63 -38.63 10.31 0.27 89.42 4.93 1.79 4.28 85.89 2.85 0.01 0.16 0.08 88 A H H 63.03 2.79 12.51 16.35 93.21 51.44 -67.71 -37.28 15.40 0.38 84.22 6.92 2.59 6.74 80.19 3.19 0.03 0.22 0.14 89 R H H 152.98 2.01 12.32 14.97 95.01 52.42 -72.23 -30.67 27.12 0.58 72.30 9.51 5.15 14.00 67.46 3.27 0.06 0.27 0.28 90 N H H 107.35 2.49 11.64 15.04 99.95 46.30 -87.26 -0.45 47.81 0.60 51.60 15.49 8.99 24.56 47.13 3.20 0.04 0.23 0.36 91 G C C 43.20 4.22 10.48 16.29 105.94 -119.32 57.47 -24.09 63.30 0.81 35.89 28.10 12.89 23.70 23.23 11.14 0.02 0.32 0.61 92 A C T 77.42 2.89 9.95 14.21 99.49 36.16 -74.95 -21.00 62.44 1.10 36.46 23.78 13.30 26.60 16.74 18.32 0.02 0.49 0.74 93 S C C 87.65 1.73 9.13 12.06 101.64 61.47 -84.52 4.31 68.79 1.38 29.83 30.11 14.01 26.10 11.85 16.42 0.02 0.62 0.89 94 R C C 165.14 2.39 8.10 12.21 105.07 100.12 -86.28 25.96 83.91 1.02 15.06 68.38 5.08 11.64 6.82 6.91 0.00 0.50 0.68 95 S C C 85.33 2.39 10.58 14.54 110.28 -137.74 -86.17 118.83 99.93 0.04 0.02 99.78 0.12 0.07 0.01 0.00 0.00 0.02 0.01