# 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 83.14 12.17 13.50 25.70 111.78 -160.48 -89.30 131.62 99.90 0.04 0.06 99.79 0.08 0.07 0.04 0.00 0.00 0.01 0.01 1 G C C 36.44 6.69 14.52 22.27 114.16 -134.25 -72.52 169.09 82.33 0.57 17.10 76.00 1.13 4.25 17.34 0.77 0.00 0.21 0.33 2 R H H 143.85 4.06 15.83 20.70 100.25 -90.16 -71.30 -35.88 36.11 0.52 63.37 23.21 7.49 5.92 61.56 1.36 0.01 0.16 0.28 3 A H H 35.08 14.49 14.76 28.98 94.20 47.23 -63.99 -41.00 7.35 0.06 92.59 3.05 1.36 2.80 91.71 1.03 0.00 0.02 0.03 4 R H H 86.07 13.16 17.09 30.10 92.55 52.40 -64.24 -40.59 3.49 0.03 96.48 1.49 0.50 1.43 95.69 0.86 0.00 0.01 0.01 5 D H H 70.82 5.10 20.64 26.16 92.14 50.88 -65.11 -40.12 1.82 0.01 98.17 0.76 0.23 0.75 97.74 0.51 0.00 0.01 0.00 6 A H H 29.60 9.79 20.01 30.97 92.05 51.31 -64.38 -42.47 0.92 0.00 99.08 0.29 0.09 0.42 98.99 0.21 0.00 0.00 0.00 7 I H H 16.34 20.49 18.95 39.03 91.85 49.42 -64.23 -43.01 0.51 0.00 99.49 0.12 0.04 0.26 99.46 0.11 0.00 0.00 0.00 8 L H H 39.25 13.71 20.33 34.33 91.76 50.20 -63.58 -42.15 0.28 0.00 99.72 0.05 0.02 0.15 99.70 0.07 0.00 0.00 0.00 9 D H H 77.34 3.49 24.26 27.11 91.62 50.20 -64.50 -40.86 0.38 0.00 99.62 0.05 0.02 0.24 99.52 0.16 0.00 0.00 0.00 10 A H H 16.99 13.99 19.13 34.04 91.87 50.57 -64.38 -41.94 0.72 0.00 99.27 0.06 0.04 0.53 98.97 0.39 0.00 0.00 0.00 11 L H H 13.16 22.76 15.61 38.10 91.84 50.75 -66.22 -34.87 1.88 0.00 98.12 0.13 0.11 1.51 97.03 1.22 0.00 0.00 0.00 12 E H H 108.03 7.30 19.72 27.75 91.69 58.09 -68.28 -26.69 21.98 0.01 78.01 0.34 0.52 21.50 76.32 1.30 0.00 0.00 0.01 13 N C T 109.59 2.78 20.53 23.02 95.88 48.35 -93.52 -1.85 65.35 0.02 34.63 1.41 1.92 60.44 34.77 1.44 0.00 0.00 0.02 14 L C C 20.25 21.48 8.04 28.05 117.70 110.91 -76.64 144.12 98.30 0.48 1.23 66.87 30.44 0.72 1.15 0.14 0.00 0.08 0.60 15 T C C 70.15 2.41 20.89 22.00 122.54 -130.80 -81.68 163.56 99.09 0.21 0.71 98.65 0.39 0.15 0.59 0.03 0.00 0.04 0.16 16 A H H 66.52 7.72 13.28 22.47 90.96 -102.76 -57.20 -39.18 2.46 0.00 97.54 0.35 0.30 1.60 96.30 1.44 0.00 0.00 0.00 17 E H H 132.16 1.16 18.60 18.06 91.33 52.33 -64.40 -40.00 1.42 0.00 98.58 0.13 0.10 1.06 96.82 1.89 0.00 0.00 0.00 18 E H H 64.16 9.26 16.70 27.17 91.93 49.18 -65.78 -39.82 0.68 0.00 99.32 0.09 0.04 0.45 97.47 1.94 0.00 0.00 0.00 19 L H H 14.35 20.31 13.17 33.57 91.39 51.15 -62.91 -42.18 0.44 0.00 99.56 0.05 0.03 0.28 98.77 0.87 0.00 0.00 0.00 20 K H H 110.80 3.95 21.09 25.35 91.40 51.18 -63.78 -40.94 0.62 0.00 99.38 0.04 0.02 0.47 98.85 0.62 0.00 0.00 0.00 21 K H H 108.44 2.84 22.30 24.39 91.58 49.92 -64.24 -41.49 0.83 0.00 99.17 0.05 0.03 0.64 98.51 0.77 0.00 0.00 0.00 22 F H H 15.40 19.41 17.11 36.88 91.45 49.69 -64.36 -42.56 0.76 0.00 99.24 0.09 0.04 0.50 98.47 0.90 0.00 0.00 0.00 23 K H H 58.53 16.04 18.89 34.27 91.39 52.86 -61.76 -41.86 0.75 0.00 99.25 0.07 0.03 0.53 98.12 1.25 0.00 0.00 0.00 24 L H H 89.83 2.46 23.09 24.28 91.54 50.66 -64.04 -41.22 1.18 0.00 98.82 0.07 0.05 0.92 96.93 2.03 0.00 0.00 0.00 25 K H H 75.28 8.16 20.70 29.56 91.76 50.17 -64.99 -40.36 2.56 0.00 97.44 0.18 0.14 1.97 94.68 3.04 0.00 0.00 0.00 26 L H H 5.96 24.52 13.55 38.20 91.57 51.79 -65.66 -36.79 6.11 0.01 93.88 0.51 0.40 4.62 87.89 6.56 0.01 0.01 0.01 27 L H H 81.68 10.61 17.90 28.90 90.92 57.37 -69.67 -21.82 26.92 0.04 73.05 1.19 1.44 23.72 68.20 5.38 0.02 0.01 0.03 28 S C T 85.95 1.45 20.45 20.61 94.27 53.90 -89.45 -6.39 62.23 0.10 37.67 5.08 5.27 50.19 34.21 5.09 0.01 0.03 0.10 29 V C S 27.22 18.26 9.47 27.41 115.76 104.47 -80.61 133.48 99.28 0.24 0.48 34.05 64.57 0.70 0.34 0.09 0.00 0.06 0.19 30 P C C 100.06 2.04 21.76 23.04 113.88 -120.11 -70.84 141.94 98.62 0.92 0.46 96.49 1.73 0.57 0.18 0.15 0.00 0.32 0.57 31 L C C 48.47 20.05 8.92 27.12 117.82 -131.20 -81.42 138.87 95.41 3.39 1.21 91.83 2.45 0.58 0.58 0.39 0.00 0.92 3.25 32 R C C 121.85 5.69 14.60 21.76 116.55 -115.30 -76.53 149.30 96.07 1.89 2.04 88.75 4.87 2.02 0.81 1.01 0.00 0.53 2.01 33 E C T 160.91 1.22 14.03 15.70 109.84 -86.05 -62.61 134.79 94.73 0.55 4.72 3.08 8.73 82.94 0.81 3.69 0.00 0.27 0.47 34 G C T 60.18 1.46 15.10 16.49 97.04 19.67 84.50 -3.03 95.92 0.22 3.86 5.10 7.87 82.88 0.65 3.24 0.00 0.13 0.12 35 Y C C 57.57 17.01 9.43 25.41 102.98 102.82 -93.69 11.30 91.86 2.25 5.89 65.76 15.05 9.81 1.14 5.18 0.00 0.82 2.24 36 G C C 44.11 5.71 17.58 24.20 103.42 111.37 -68.12 -31.04 95.20 1.41 3.38 57.95 20.49 16.31 0.56 3.15 0.00 0.65 0.88 37 R C C 145.01 5.86 18.88 25.62 99.94 51.31 -86.33 3.98 95.64 2.11 2.25 55.05 31.03 9.26 0.44 1.98 0.00 0.97 1.27 38 I C C 17.98 21.76 10.54 31.62 113.01 101.59 -93.82 119.35 96.02 3.70 0.28 69.23 26.72 0.35 0.16 0.10 0.00 1.26 2.17 39 P C C 64.19 4.41 21.12 25.70 112.84 -116.45 -66.75 141.72 96.04 3.27 0.69 95.44 0.77 0.36 0.40 0.12 0.00 1.33 1.58 40 R H H 118.71 13.29 12.68 25.71 93.44 -123.22 -59.64 -36.38 22.23 0.27 77.49 5.08 3.65 12.48 50.55 27.89 0.05 0.13 0.17 41 G H H 48.18 2.21 18.25 20.21 92.12 56.16 -62.90 -34.17 14.16 0.08 85.76 1.40 1.31 9.56 51.27 36.36 0.02 0.04 0.04 42 A H H 53.07 6.66 17.75 25.37 92.34 54.88 -70.69 -29.45 9.87 0.04 90.08 1.13 0.84 6.42 54.21 37.35 0.01 0.02 0.02 43 L H H 6.92 24.20 10.27 33.85 93.55 54.98 -75.71 -24.78 16.73 0.10 83.17 2.81 2.03 9.98 50.80 34.26 0.01 0.05 0.05 44 L C T 92.43 9.38 16.04 26.20 91.87 71.97 -64.90 -25.92 62.32 0.12 37.56 2.65 3.09 55.83 24.78 13.44 0.02 0.05 0.15 45 S C T 95.02 0.83 19.18 17.75 94.88 52.84 -90.38 -2.15 76.29 0.07 23.64 3.02 3.99 70.03 10.71 12.15 0.00 0.03 0.08 46 M C S 40.66 16.56 9.01 25.22 122.71 104.90 -81.61 153.26 99.14 0.27 0.60 44.88 53.55 0.69 0.38 0.13 0.00 0.05 0.31 47 D C C 84.54 2.78 22.56 24.20 118.24 -108.91 -76.18 156.97 98.75 1.02 0.24 98.19 0.56 0.05 0.18 0.01 0.00 0.15 0.84 48 A H H 32.82 18.82 14.03 32.08 91.84 -105.96 -58.37 -39.02 1.36 0.00 98.64 0.11 0.12 0.99 98.43 0.35 0.00 0.00 0.00 49 L H H 75.92 9.04 20.23 29.71 91.84 52.47 -64.10 -40.98 0.77 0.00 99.23 0.05 0.04 0.60 98.93 0.38 0.00 0.00 0.00 50 D H H 72.02 4.35 23.37 27.59 91.67 49.00 -65.73 -40.26 0.45 0.00 99.55 0.06 0.02 0.28 99.16 0.47 0.00 0.00 0.00 51 L H H 8.50 20.73 18.33 39.39 91.80 50.50 -63.45 -43.65 0.19 0.00 99.81 0.04 0.01 0.10 99.77 0.08 0.00 0.00 0.00 52 T H H 10.83 20.92 19.80 40.44 91.43 50.88 -62.54 -43.35 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 53 D H H 77.75 4.99 25.43 30.61 91.61 49.67 -64.71 -41.43 0.08 0.00 99.92 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 54 K H H 59.57 10.14 23.48 34.06 91.84 49.63 -65.04 -41.97 0.12 0.00 99.88 0.00 0.00 0.09 99.85 0.06 0.00 0.00 0.00 55 L H H 3.78 25.10 17.97 43.35 91.52 50.16 -63.71 -42.85 0.35 0.00 99.65 0.02 0.01 0.27 99.52 0.18 0.00 0.00 0.00 56 V H H 31.35 16.70 19.03 35.37 92.16 48.88 -65.44 -38.58 1.86 0.00 98.14 0.10 0.10 1.54 97.10 1.16 0.00 0.00 0.00 57 S H H 72.84 2.81 23.17 25.58 92.65 51.63 -68.86 -33.71 9.19 0.01 90.80 0.23 0.35 8.88 88.69 1.84 0.01 0.00 0.00 58 F H H 68.93 12.19 19.09 31.46 99.07 38.60 -85.71 -33.02 18.42 0.02 81.56 0.46 1.18 17.19 79.59 1.52 0.03 0.00 0.02 59 Y C H 33.64 19.64 14.26 33.15 103.98 35.12 -103.78 -2.77 53.43 1.03 45.55 14.24 21.66 18.82 42.13 1.84 0.09 0.23 0.99 60 L C C 79.65 8.03 19.32 27.76 105.82 -124.73 -6.73 60.38 88.65 0.78 10.58 66.07 9.35 12.84 8.22 2.54 0.00 0.28 0.69 61 E C T 104.00 8.94 16.38 25.68 98.66 -68.47 -57.82 -43.64 56.29 0.53 43.19 5.37 16.19 35.22 25.28 16.93 0.13 0.22 0.65 62 T C T 97.94 3.41 19.90 23.70 95.14 29.05 -73.44 -27.81 53.88 0.10 46.02 1.78 5.99 46.20 28.27 17.52 0.04 0.04 0.16 63 Y H H 75.17 12.57 18.34 31.07 98.89 39.08 -97.01 -5.05 47.96 0.14 51.90 4.06 3.91 39.04 39.08 13.67 0.02 0.06 0.16 64 G H H 4.03 21.49 17.15 38.90 92.72 91.78 -61.22 -43.59 8.13 0.03 91.84 3.22 1.24 3.60 90.93 0.98 0.00 0.01 0.02 65 A H H 17.87 18.24 22.44 39.88 91.98 51.36 -63.83 -41.41 1.93 0.01 98.06 0.41 0.21 1.18 97.74 0.44 0.00 0.00 0.00 66 E H H 93.73 6.09 28.24 35.21 91.83 50.36 -64.60 -41.59 0.50 0.00 99.49 0.12 0.05 0.30 99.25 0.28 0.00 0.00 0.00 67 L H H 16.50 17.68 24.86 42.33 91.48 49.59 -64.37 -43.09 0.23 0.00 99.77 0.05 0.01 0.14 99.69 0.11 0.00 0.00 0.00 68 T H H 2.31 25.66 23.94 49.12 91.55 49.97 -64.09 -43.35 0.14 0.00 99.86 0.02 0.00 0.08 99.86 0.03 0.00 0.00 0.00 69 A H H 15.12 16.53 24.28 40.67 91.15 50.67 -63.42 -42.82 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 70 N H H 65.69 6.16 27.96 35.02 91.77 50.14 -64.32 -42.08 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 71 V H H 7.58 19.48 21.74 41.47 91.66 49.77 -63.60 -43.94 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 72 L H H 6.18 22.39 17.80 40.41 91.27 49.61 -63.56 -42.48 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 73 R H H 125.00 6.43 20.33 27.68 91.75 50.96 -63.32 -41.36 0.33 0.00 99.67 0.02 0.01 0.26 99.60 0.11 0.00 0.00 0.00 74 D H H 85.99 5.96 19.32 26.23 90.27 53.79 -65.27 -27.86 4.10 0.00 95.90 0.04 0.06 4.24 95.52 0.14 0.00 0.00 0.00 75 M C T 42.99 15.20 14.05 30.00 93.33 50.68 -90.73 4.24 84.21 0.00 15.78 0.12 0.56 83.17 15.90 0.24 0.00 0.00 0.00 76 G C T 57.34 1.65 20.85 21.64 93.27 -108.59 76.82 18.42 99.89 0.00 0.11 0.30 0.65 99.00 0.04 0.01 0.00 0.00 0.00 77 L C C 31.23 15.86 11.50 28.07 102.86 124.69 -109.36 46.46 99.58 0.19 0.23 99.26 0.31 0.11 0.13 0.02 0.00 0.04 0.13 78 Q H H 101.31 7.35 15.39 24.73 94.03 139.71 -62.78 -39.57 3.24 0.00 96.75 1.85 0.31 1.01 96.22 0.61 0.00 0.00 0.00 79 E H H 140.31 1.11 22.43 21.31 91.66 52.12 -64.05 -40.69 1.15 0.00 98.85 0.15 0.08 0.76 98.23 0.78 0.00 0.00 0.00 80 M H H 42.17 12.54 18.98 32.20 91.89 48.93 -66.03 -40.98 0.42 0.00 99.58 0.06 0.02 0.26 98.99 0.67 0.00 0.00 0.00 81 A H H 5.76 21.31 14.31 36.01 91.30 52.27 -62.13 -43.25 0.13 0.00 99.87 0.01 0.00 0.07 99.76 0.15 0.00 0.00 0.00 82 G H H 36.33 3.30 23.53 26.31 91.31 51.11 -63.00 -41.46 0.19 0.00 99.81 0.01 0.00 0.12 99.76 0.09 0.00 0.00 0.00 83 Q H H 95.99 3.46 23.32 26.31 91.64 49.64 -64.85 -40.89 0.25 0.00 99.75 0.02 0.01 0.17 99.71 0.09 0.00 0.00 0.00 84 L H H 8.48 21.38 15.43 37.13 91.60 50.45 -64.27 -42.55 0.44 0.00 99.56 0.05 0.02 0.27 99.52 0.13 0.00 0.00 0.00 85 Q H H 70.96 11.44 18.86 30.51 91.55 51.43 -62.98 -40.58 1.19 0.00 98.81 0.16 0.07 0.77 98.74 0.26 0.00 0.00 0.00 86 A H H 66.00 1.73 20.53 20.55 91.96 50.96 -65.32 -39.18 3.85 0.00 96.14 0.41 0.27 2.79 95.99 0.54 0.00 0.00 0.00 87 A H H 41.48 8.64 15.18 25.29 92.76 50.83 -67.95 -35.20 10.48 0.02 89.51 1.25 0.95 7.52 89.42 0.83 0.01 0.01 0.01 88 T H H 41.43 14.80 10.98 25.46 95.92 51.71 -77.17 -24.14 31.26 0.21 68.53 6.65 4.34 19.88 67.64 1.25 0.02 0.06 0.14 89 H C H 142.08 2.58 13.03 16.84 99.89 60.37 -80.50 -5.31 66.92 0.41 32.67 34.09 2.15 27.47 34.60 1.29 0.00 0.14 0.26 90 Q C C 129.54 2.98 12.83 17.38 105.54 89.54 -81.68 95.64 99.96 0.01 0.03 99.86 0.06 0.06 0.02 0.00 0.00 0.01 0.00