# 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 104.98 6.52 11.19 19.03 110.60 -163.50 -87.11 121.84 99.93 0.03 0.04 99.86 0.06 0.04 0.02 0.00 0.00 0.01 0.00 1 T C C 92.96 3.27 10.36 15.08 104.42 153.14 -84.57 -3.66 77.70 1.28 21.02 73.09 1.20 3.91 19.03 1.61 0.00 0.54 0.61 2 T H H 82.52 3.49 9.56 14.62 102.32 76.38 -77.27 -23.18 46.49 1.49 52.03 31.65 7.65 8.56 45.22 5.57 0.01 0.77 0.57 3 L H H 102.27 4.05 9.97 15.53 97.62 55.01 -70.76 -33.03 38.56 1.48 59.96 24.35 6.93 9.03 51.18 7.14 0.02 0.86 0.49 4 F H H 126.71 3.93 10.89 16.34 97.35 56.37 -72.71 -32.06 30.26 1.51 68.22 19.47 5.36 7.18 57.56 9.02 0.02 0.92 0.48 5 K H H 126.25 3.56 12.21 17.12 96.85 60.86 -71.15 -30.15 30.57 1.36 68.07 18.67 5.16 8.26 57.75 8.88 0.02 0.81 0.45 6 K H H 130.53 3.35 13.24 17.65 97.95 56.76 -76.73 -31.03 36.28 1.61 62.11 18.23 6.49 13.32 52.43 7.91 0.06 0.92 0.63 7 Y H H 119.22 6.13 13.26 20.56 100.63 47.21 -86.60 -22.00 39.72 0.77 59.51 20.70 8.55 11.72 54.67 3.63 0.03 0.31 0.41 8 G H H 28.76 6.72 14.43 22.55 103.97 63.67 -64.45 -64.63 28.02 0.16 71.82 18.38 4.39 4.23 71.78 1.08 0.00 0.06 0.07 9 P H H 75.19 5.12 15.62 21.64 93.65 37.28 -65.36 -39.10 7.04 0.04 92.91 3.32 0.90 2.60 92.24 0.90 0.00 0.02 0.02 10 A H H 59.64 3.84 16.79 21.21 92.75 50.95 -65.69 -39.98 2.15 0.02 97.83 0.84 0.25 0.97 97.24 0.68 0.00 0.01 0.01 11 V H H 68.27 5.95 16.36 23.28 92.70 49.98 -65.90 -41.07 1.03 0.01 98.96 0.36 0.10 0.48 98.63 0.42 0.00 0.00 0.00 12 V H H 65.64 7.33 16.54 24.81 92.23 50.17 -64.61 -41.79 0.64 0.01 99.36 0.16 0.05 0.33 99.23 0.23 0.00 0.00 0.00 13 M H H 95.15 4.57 17.94 23.16 92.03 49.82 -65.02 -41.17 0.58 0.00 99.42 0.10 0.04 0.34 99.36 0.17 0.00 0.00 0.00 14 G H H 33.34 4.97 17.33 23.14 92.05 50.86 -64.68 -41.69 0.97 0.00 99.02 0.11 0.05 0.66 98.96 0.22 0.00 0.00 0.00 15 V H H 69.70 6.65 17.23 24.56 92.32 49.39 -65.28 -41.63 1.09 0.00 98.91 0.11 0.07 0.75 98.64 0.42 0.00 0.00 0.00 16 L H H 80.34 7.38 17.07 25.21 92.07 50.75 -64.80 -39.99 1.31 0.00 98.68 0.13 0.08 0.95 97.61 1.22 0.00 0.00 0.00 17 S H H 60.39 5.76 17.14 23.84 92.53 51.42 -66.87 -36.32 4.02 0.01 95.97 0.24 0.18 3.48 93.40 2.68 0.00 0.00 0.00 18 I H H 98.89 5.52 17.92 23.75 94.82 48.63 -75.23 -29.59 13.75 0.02 86.23 0.50 0.65 12.81 83.46 2.52 0.03 0.01 0.02 19 A H H 49.14 8.24 16.91 25.90 95.76 51.00 -80.19 -22.34 23.71 0.09 76.20 2.05 2.50 19.27 73.59 2.42 0.06 0.03 0.08 20 L H H 69.11 9.89 17.39 27.93 95.02 73.11 -65.72 -41.94 21.98 0.16 77.87 8.28 5.15 9.45 74.02 2.93 0.02 0.06 0.09 21 P H H 52.35 10.18 16.61 27.63 93.69 52.82 -65.52 -38.69 11.02 0.07 88.91 5.17 1.13 4.68 86.18 2.77 0.01 0.04 0.03 22 Q H H 102.58 4.05 19.85 23.96 92.80 52.17 -65.72 -40.92 3.04 0.04 96.92 0.99 0.42 1.64 93.78 3.13 0.01 0.02 0.01 23 I H H 81.50 4.93 18.87 24.33 92.95 50.03 -66.08 -40.86 2.37 0.04 97.59 0.62 0.30 1.45 95.04 2.54 0.01 0.02 0.01 24 A H H 21.02 11.56 13.04 26.34 92.28 51.52 -64.26 -40.76 3.17 0.06 96.77 0.80 0.41 1.97 94.51 2.24 0.02 0.03 0.02 25 L H H 94.40 5.63 15.15 21.99 91.95 51.47 -64.89 -38.57 5.25 0.07 94.68 0.93 0.57 3.71 91.41 3.26 0.04 0.04 0.03 26 A H H 81.55 1.93 14.67 17.00 91.50 54.67 -67.50 -27.71 13.71 0.05 86.23 1.11 1.06 11.39 83.45 2.90 0.04 0.02 0.03 27 A C T 69.09 4.10 12.49 18.02 95.15 55.94 -85.20 -2.66 67.47 0.10 32.42 1.83 3.36 61.21 30.86 2.60 0.01 0.03 0.10 28 G C T 59.43 1.51 15.03 16.58 96.74 -106.10 78.59 12.87 98.93 0.04 1.02 8.68 3.83 86.59 0.61 0.25 0.00 0.02 0.03 29 T C C 65.45 8.24 9.83 19.48 111.25 134.61 -91.54 121.04 97.27 0.73 2.00 91.02 4.46 1.99 1.13 0.60 0.00 0.25 0.54 30 D C C 97.13 4.54 15.10 20.78 107.74 -151.88 -89.47 57.06 95.68 0.71 3.62 72.62 18.65 4.44 2.53 1.00 0.00 0.27 0.48 31 T C C 74.78 5.04 17.49 22.95 107.25 41.15 -87.94 23.01 77.59 2.69 19.72 40.65 27.50 9.56 16.62 2.95 0.02 0.79 1.91 32 G H H 23.76 13.57 13.92 27.41 95.38 -106.10 -58.91 -42.05 22.68 0.27 77.05 7.85 7.42 9.02 70.22 5.19 0.04 0.10 0.15 33 E H H 112.39 5.40 17.60 23.98 93.06 52.01 -66.13 -39.90 11.90 0.13 87.97 3.90 2.37 6.09 82.35 5.14 0.03 0.06 0.06 34 S H H 61.99 2.72 19.72 21.80 93.04 50.95 -66.38 -40.23 9.59 0.16 90.25 4.44 1.74 4.14 84.62 4.89 0.01 0.09 0.07 35 T H H 45.11 8.72 17.06 27.08 92.69 50.70 -65.77 -41.29 6.26 0.10 93.64 2.99 1.12 2.65 90.85 2.30 0.01 0.05 0.04 36 A H H 28.75 13.49 15.98 29.99 92.46 51.32 -65.04 -40.56 5.45 0.09 94.46 2.59 0.89 2.31 92.75 1.37 0.01 0.04 0.03 37 T H H 72.69 3.83 20.42 24.27 91.99 51.16 -64.79 -40.88 5.06 0.06 94.88 2.38 0.72 2.11 93.86 0.87 0.00 0.02 0.02 38 S H H 56.61 3.20 20.56 23.41 91.99 50.45 -65.12 -41.46 4.34 0.04 95.62 1.70 0.59 2.08 94.85 0.75 0.01 0.02 0.02 39 I H H 43.69 13.10 17.09 30.72 92.40 49.84 -65.03 -42.34 2.41 0.03 97.56 0.81 0.32 1.23 96.97 0.65 0.00 0.01 0.01 40 Q H H 68.39 12.02 17.43 29.65 91.92 51.18 -63.39 -41.42 1.74 0.02 98.24 0.57 0.20 0.88 97.61 0.73 0.00 0.01 0.01 41 T H H 78.64 2.22 21.03 21.97 92.00 50.09 -64.44 -41.22 2.71 0.02 97.28 0.56 0.26 1.71 96.34 1.11 0.01 0.01 0.01 42 W H H 115.39 5.49 18.86 25.10 92.02 49.20 -65.32 -40.99 3.45 0.01 96.53 0.49 0.29 2.43 95.29 1.48 0.01 0.00 0.00 43 L H H 33.35 16.81 14.35 31.06 92.12 50.28 -65.65 -38.73 3.41 0.01 96.58 0.43 0.27 2.47 94.00 2.82 0.00 0.00 0.00 44 S H H 55.50 8.57 17.20 26.57 91.77 53.69 -67.81 -33.35 11.11 0.01 88.87 0.53 0.47 9.98 84.07 4.93 0.01 0.01 0.01 45 T H H 88.83 2.17 20.02 21.32 96.08 46.47 -78.03 -33.19 31.98 0.02 68.00 0.62 1.04 30.65 63.37 4.28 0.02 0.01 0.02 46 W H H 104.99 9.00 17.99 27.56 99.85 40.86 -88.64 -34.36 20.28 0.04 79.68 0.92 1.48 17.87 77.22 2.45 0.03 0.01 0.03 47 I H H 34.63 17.84 15.83 33.14 92.33 61.22 -62.81 -44.62 1.83 0.00 98.17 0.51 0.24 0.80 98.08 0.38 0.00 0.00 0.00 48 P H H 62.83 7.63 20.49 28.79 91.73 50.55 -63.13 -41.35 0.73 0.00 99.27 0.15 0.06 0.41 99.06 0.33 0.00 0.00 0.00 49 I H H 93.60 2.79 24.10 25.81 91.77 48.52 -64.62 -42.06 0.17 0.00 99.83 0.02 0.01 0.10 99.67 0.19 0.00 0.00 0.00 50 G H H 14.61 12.99 19.88 33.56 91.78 49.21 -64.14 -42.54 0.10 0.00 99.90 0.01 0.00 0.06 99.88 0.05 0.00 0.00 0.00 51 C H H 23.36 16.88 19.12 35.83 91.74 49.72 -64.05 -42.01 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 52 A H H 52.26 4.80 23.53 28.33 91.34 50.30 -63.42 -42.62 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 53 I H H 82.60 4.30 24.36 28.50 91.49 48.87 -64.07 -42.61 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 54 A H H 14.49 17.52 18.88 36.56 91.64 50.16 -64.09 -42.58 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 55 I H H 60.69 12.23 21.28 33.26 91.68 49.35 -63.44 -42.27 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 56 M H H 103.63 2.54 24.53 25.76 91.34 49.51 -63.91 -42.67 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 57 V H H 53.87 7.71 22.06 30.43 91.73 48.68 -64.30 -42.53 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.00 0.00 0.00 0.00 58 S H H 13.08 17.70 17.02 35.19 91.58 50.55 -63.81 -41.97 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 59 C H H 56.02 5.91 20.74 27.16 91.33 50.51 -63.36 -42.04 0.13 0.00 99.87 0.00 0.00 0.10 99.88 0.02 0.00 0.00 0.00 60 F H H 110.69 2.35 21.59 22.66 91.66 49.41 -64.49 -41.98 0.12 0.00 99.88 0.00 0.00 0.09 99.88 0.03 0.00 0.00 0.00 61 M H H 32.93 10.97 14.83 27.72 91.65 50.10 -65.04 -41.07 0.30 0.00 99.69 0.02 0.01 0.24 99.63 0.11 0.00 0.00 0.00 62 W H H 89.93 10.82 13.54 25.26 92.03 49.89 -64.99 -41.68 0.76 0.00 99.24 0.03 0.02 0.71 98.91 0.33 0.01 0.00 0.00 63 M H H 131.98 1.86 15.36 17.32 91.18 50.89 -65.05 -33.05 4.05 0.00 95.95 0.05 0.10 4.31 95.10 0.42 0.01 0.00 0.00 64 L C T 105.58 2.41 13.46 16.58 92.77 49.46 -87.79 -1.23 82.14 0.02 17.84 0.21 1.14 80.33 17.73 0.56 0.00 0.00 0.02 65 H C T 153.34 2.63 12.90 17.30 93.50 -120.52 60.63 32.22 99.40 0.02 0.58 0.46 1.67 97.40 0.38 0.07 0.00 0.01 0.01 66 V C S 88.62 3.96 14.28 19.68 96.31 130.26 -82.32 -24.13 99.59 0.37 0.04 18.05 80.66 0.98 0.02 0.02 0.00 0.15 0.14 67 I C S 36.12 14.72 9.92 25.16 129.09 28.07 -132.99 143.56 98.25 1.72 0.03 12.11 86.41 0.26 0.01 0.01 0.00 0.58 0.62 68 P C C 71.16 3.29 18.88 22.09 115.69 -109.58 -69.10 152.24 98.16 1.80 0.05 97.90 0.52 0.08 0.01 0.01 0.00 0.67 0.81 69 A H G 63.43 10.29 12.19 23.30 91.52 -113.62 -58.05 -34.42 24.23 0.16 75.61 2.57 2.70 17.34 6.49 70.75 0.00 0.09 0.06 70 S H G 81.65 2.22 17.55 19.79 90.78 64.54 -68.51 -20.22 23.71 0.07 76.22 1.07 1.80 19.31 6.87 70.88 0.00 0.04 0.03 71 F H G 73.30 10.29 15.05 26.40 94.43 56.36 -82.25 -15.00 15.41 0.09 84.50 2.91 1.73 9.70 18.52 67.05 0.00 0.05 0.04 72 I H H 35.07 17.02 13.75 30.76 92.99 80.59 -61.48 -43.36 5.14 0.02 94.85 2.20 0.94 1.87 93.86 1.11 0.00 0.00 0.01 73 P H H 65.47 6.59 19.12 26.23 91.47 51.53 -63.16 -40.19 1.44 0.00 98.56 0.50 0.12 0.64 98.25 0.48 0.00 0.00 0.00 74 R H H 125.49 4.70 20.49 25.63 92.26 49.94 -65.50 -40.42 0.42 0.00 99.58 0.11 0.03 0.22 99.28 0.35 0.00 0.00 0.00 75 I H H 44.20 13.79 18.23 32.23 92.61 49.15 -65.58 -41.96 0.19 0.00 99.81 0.04 0.01 0.11 99.71 0.14 0.00 0.00 0.00 76 V H H 45.43 12.65 19.56 32.41 92.03 48.77 -64.14 -42.68 0.17 0.00 99.83 0.03 0.01 0.10 99.80 0.06 0.00 0.00 0.00 77 I H H 83.86 5.52 22.40 27.81 91.87 49.27 -64.11 -42.20 0.15 0.00 99.85 0.02 0.01 0.09 99.83 0.05 0.00 0.00 0.00 78 S H H 36.48 9.04 20.00 29.95 91.98 50.17 -64.21 -41.96 0.37 0.00 99.63 0.03 0.01 0.26 99.62 0.08 0.00 0.00 0.00 79 L H H 50.59 13.47 19.92 33.24 92.50 49.87 -64.71 -41.44 0.72 0.00 99.28 0.05 0.03 0.52 99.27 0.13 0.00 0.00 0.00 80 I H H 71.66 9.02 21.53 30.65 92.17 48.92 -64.66 -41.93 1.43 0.02 98.55 0.13 0.10 1.09 98.38 0.29 0.01 0.00 0.00 81 G H H 32.27 7.09 21.21 28.68 92.46 49.93 -64.65 -42.07 3.48 0.02 96.50 0.36 0.23 2.68 95.91 0.80 0.01 0.01 0.01 82 I H H 69.13 9.74 20.49 30.42 92.74 47.67 -67.31 -39.82 6.67 0.04 93.30 0.58 0.54 5.37 91.92 1.53 0.03 0.02 0.02 83 G H H 25.52 9.89 19.57 30.02 93.20 49.93 -68.41 -35.93 18.32 0.09 81.60 1.70 1.53 14.83 79.93 1.89 0.03 0.04 0.05 84 S H H 44.44 8.11 20.16 28.78 93.59 51.58 -70.66 -32.83 29.22 0.15 70.63 5.41 2.71 20.75 68.55 2.40 0.03 0.06 0.09 85 A H H 39.42 10.30 18.22 29.18 92.84 57.31 -63.44 -40.93 8.76 0.08 91.16 2.92 1.36 4.54 87.54 3.56 0.01 0.04 0.03 86 S H H 52.83 6.59 19.34 26.48 92.66 51.79 -65.33 -40.08 4.52 0.06 95.42 1.08 0.51 2.78 91.35 4.21 0.02 0.04 0.01 87 Y H H 115.11 4.98 19.61 25.03 92.41 50.08 -65.38 -41.00 3.24 0.06 96.70 0.69 0.34 2.13 92.82 3.95 0.02 0.05 0.01 88 L H H 59.99 8.81 16.64 26.47 92.52 49.49 -65.14 -41.62 3.00 0.12 96.88 0.67 0.38 2.01 94.00 2.81 0.03 0.09 0.03 89 V H H 50.61 8.36 14.37 24.27 92.05 50.03 -64.27 -41.54 5.20 0.28 94.52 1.19 0.73 3.46 90.99 3.31 0.05 0.20 0.07 90 S H H 68.00 3.33 15.32 19.45 92.11 50.53 -65.57 -37.94 10.54 0.19 89.26 1.25 1.00 8.26 83.92 5.27 0.12 0.12 0.08 91 L H H 108.25 3.65 14.17 18.84 93.09 50.08 -70.36 -32.01 20.18 0.14 79.68 1.45 1.66 17.02 75.14 4.46 0.11 0.07 0.08 92 T H H 78.83 5.21 11.99 18.44 97.18 42.51 -92.57 -3.89 48.23 0.59 51.18 2.81 6.35 38.75 47.43 3.78 0.25 0.23 0.40 93 G C T 59.45 1.63 12.17 14.62 96.99 -112.30 77.86 13.30 93.23 1.86 4.91 20.55 16.59 56.64 3.18 1.36 0.00 1.04 0.63 94 V C C 97.22 3.94 8.94 14.83 111.75 124.57 -95.74 123.37 90.89 5.51 3.60 55.56 18.93 16.60 1.74 1.66 0.00 3.20 2.30 95 G C C 53.89 2.67 11.08 15.40 118.38 12.78 104.03 163.04 94.46 4.02 1.51 79.40 5.59 9.64 0.62 0.68 0.00 2.79 1.27 96 S C C 81.51 3.71 12.92 18.39 114.79 -109.30 -103.03 145.16 99.83 0.16 0.01 99.71 0.14 0.03 0.00 0.00 0.00 0.10 0.01