# 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 146.73 4.91 12.78 19.31 113.04 -143.45 -86.16 131.82 99.85 0.05 0.10 99.72 0.10 0.09 0.05 0.00 0.00 0.02 0.01 1 K C C 133.44 4.37 10.73 16.95 110.62 -141.35 -85.86 129.15 69.10 1.00 29.90 60.21 1.68 7.09 27.21 2.84 0.00 0.46 0.51 2 E C C 116.91 4.92 11.17 17.69 110.20 -145.52 -86.25 123.68 63.73 0.99 35.28 44.40 9.03 9.39 32.84 3.43 0.00 0.42 0.48 3 T C H 71.98 4.42 13.49 19.12 113.99 -151.41 -87.48 156.41 51.05 0.96 47.99 37.00 7.12 7.18 44.62 3.22 0.00 0.38 0.47 4 Y H H 104.68 10.08 13.69 24.47 94.42 -108.07 -63.72 -37.18 15.00 0.18 84.82 6.93 3.07 5.52 82.21 2.10 0.01 0.07 0.09 5 S H H 41.92 9.78 14.94 25.82 92.69 53.92 -65.09 -39.51 10.70 0.09 89.21 3.56 1.69 5.51 87.38 1.77 0.01 0.04 0.04 6 S H H 50.55 4.13 17.63 22.39 92.41 52.12 -65.14 -40.75 6.13 0.05 93.82 1.95 0.79 3.33 92.85 1.03 0.00 0.02 0.02 7 Y H H 95.37 5.96 18.17 25.10 92.23 50.95 -64.92 -42.38 1.60 0.01 98.39 0.46 0.18 0.83 98.25 0.27 0.00 0.00 0.00 8 I H H 34.65 13.60 16.30 30.73 91.98 49.71 -64.04 -42.95 0.45 0.00 99.55 0.10 0.03 0.24 99.54 0.09 0.00 0.00 0.00 9 Y H H 82.74 10.06 17.60 28.52 91.80 50.68 -63.77 -41.66 0.21 0.00 99.79 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 10 K H H 111.15 2.64 20.82 22.70 91.98 50.48 -64.55 -41.55 0.25 0.00 99.75 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 11 V H H 48.07 6.97 17.98 26.46 91.91 49.14 -64.45 -42.45 0.36 0.00 99.64 0.03 0.02 0.25 99.64 0.06 0.00 0.00 0.00 12 L H H 25.62 14.11 13.50 28.74 91.83 50.34 -64.41 -40.57 0.49 0.00 99.51 0.05 0.03 0.34 99.46 0.12 0.00 0.00 0.00 13 K H H 110.90 5.89 15.46 22.59 91.95 52.56 -64.97 -37.47 1.98 0.00 98.01 0.13 0.09 1.65 97.73 0.39 0.00 0.00 0.00 14 Q H H 130.01 1.36 16.68 17.16 93.32 49.18 -70.17 -36.71 5.36 0.00 94.63 0.19 0.26 4.80 94.32 0.42 0.01 0.00 0.00 15 T H H 74.11 5.18 14.05 20.35 98.64 37.20 -86.30 -31.99 10.23 0.03 89.74 0.54 1.46 8.01 89.65 0.28 0.03 0.00 0.02 16 H C C 69.68 8.85 10.05 20.49 111.56 24.01 -133.26 70.13 99.24 0.22 0.54 62.58 35.65 0.94 0.44 0.10 0.00 0.05 0.23 17 P C T 91.75 4.39 11.21 17.94 95.45 165.85 -63.41 -25.86 90.44 0.25 9.31 20.45 7.97 62.03 2.05 7.20 0.00 0.13 0.16 18 D C T 126.84 0.78 14.04 13.77 96.58 52.83 -86.70 9.47 87.35 0.28 12.37 11.50 11.57 64.07 3.50 9.01 0.00 0.14 0.21 19 T C C 61.22 8.61 10.39 20.28 100.80 96.03 -88.86 1.82 85.44 0.56 14.01 37.42 32.11 16.43 6.24 7.04 0.00 0.19 0.58 20 G C C 44.94 3.58 15.81 20.27 100.33 -124.38 77.34 0.00 78.23 0.83 20.94 34.68 27.67 15.81 17.58 3.39 0.00 0.27 0.59 21 I C H 73.07 8.92 13.09 23.17 98.71 105.33 -80.59 -12.11 51.93 0.94 47.12 33.82 9.82 8.15 44.86 2.51 0.01 0.34 0.50 22 S H H 49.30 7.73 14.51 23.53 95.07 87.63 -65.53 -43.16 25.43 0.31 74.27 17.62 3.57 4.56 72.36 1.63 0.00 0.12 0.13 23 Q H H 121.88 2.48 17.24 19.93 93.22 47.17 -66.23 -39.81 4.27 0.03 95.70 1.66 0.74 1.83 94.80 0.95 0.00 0.01 0.01 24 K H H 127.19 2.06 18.53 20.04 92.35 49.51 -65.81 -40.78 2.16 0.02 97.82 0.72 0.28 1.06 97.26 0.66 0.00 0.01 0.00 25 S H H 28.07 10.12 14.96 26.74 92.56 50.40 -64.98 -41.83 1.41 0.01 98.58 0.46 0.15 0.68 98.27 0.44 0.00 0.00 0.00 26 M H H 63.18 10.21 16.01 27.25 91.96 51.12 -63.86 -40.81 0.59 0.00 99.41 0.19 0.06 0.27 99.33 0.16 0.00 0.00 0.00 27 S H H 61.95 2.60 19.64 21.63 91.89 51.20 -64.61 -41.22 0.52 0.00 99.48 0.12 0.04 0.28 99.44 0.12 0.00 0.00 0.00 28 I H H 86.35 3.69 19.39 23.17 92.10 49.06 -64.85 -42.22 0.44 0.00 99.55 0.07 0.03 0.26 99.54 0.10 0.00 0.00 0.00 29 L H H 48.49 11.62 16.32 28.82 91.78 49.97 -64.48 -41.90 0.44 0.00 99.56 0.08 0.03 0.25 99.55 0.09 0.00 0.00 0.00 30 N H H 72.08 7.07 17.99 25.95 91.67 51.21 -63.61 -40.69 0.76 0.00 99.24 0.12 0.04 0.47 99.23 0.13 0.00 0.00 0.00 31 S H H 61.71 2.21 19.81 21.01 91.92 50.63 -64.68 -41.26 1.19 0.00 98.81 0.13 0.07 0.84 98.78 0.18 0.00 0.00 0.00 32 F H H 92.08 5.88 18.63 25.28 92.12 49.32 -64.97 -41.88 1.12 0.00 98.87 0.16 0.08 0.76 98.81 0.19 0.00 0.00 0.00 33 V H H 42.08 11.41 16.12 28.58 91.93 50.10 -64.38 -42.14 0.77 0.00 99.22 0.16 0.06 0.44 99.22 0.11 0.00 0.00 0.00 34 N H H 81.12 3.86 18.94 23.18 91.83 50.86 -64.08 -40.71 0.85 0.00 99.15 0.15 0.05 0.51 99.16 0.12 0.00 0.00 0.00 35 D H H 78.78 2.47 19.70 21.43 91.99 50.05 -65.17 -40.96 0.92 0.00 99.08 0.14 0.06 0.59 99.09 0.12 0.00 0.00 0.00 36 I H H 54.84 9.23 17.44 27.81 91.99 50.11 -64.66 -42.50 0.52 0.00 99.48 0.07 0.03 0.33 99.49 0.08 0.00 0.00 0.00 37 F H H 78.66 10.14 16.99 27.91 91.79 50.53 -63.88 -41.50 0.23 0.00 99.77 0.03 0.01 0.13 99.77 0.05 0.00 0.00 0.00 38 E H H 112.22 2.42 20.11 21.98 91.66 50.58 -64.45 -41.15 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 39 R H H 122.35 3.51 20.00 23.48 91.96 49.51 -65.33 -41.32 0.35 0.00 99.65 0.03 0.02 0.24 99.65 0.07 0.00 0.00 0.00 40 I H H 41.81 12.79 16.73 30.32 92.10 48.96 -64.87 -41.95 0.40 0.00 99.59 0.05 0.02 0.24 99.61 0.07 0.00 0.00 0.00 41 A H H 44.80 7.15 18.35 26.62 91.68 50.83 -63.37 -41.53 0.62 0.00 99.38 0.11 0.04 0.34 99.40 0.11 0.00 0.00 0.00 42 T H H 77.24 1.99 22.03 22.26 91.92 49.57 -64.84 -41.82 1.23 0.00 98.77 0.19 0.08 0.76 98.78 0.18 0.00 0.00 0.00 43 E H H 76.65 7.00 19.93 27.69 92.00 48.92 -65.60 -40.87 1.24 0.00 98.75 0.19 0.09 0.76 98.75 0.21 0.00 0.00 0.00 44 A H H 22.18 14.39 15.49 30.66 91.73 51.81 -63.50 -40.89 1.42 0.00 98.58 0.28 0.10 0.79 98.48 0.35 0.00 0.00 0.00 45 S H H 59.97 3.72 20.34 24.13 91.76 51.47 -64.15 -40.15 2.45 0.01 97.54 0.43 0.18 1.56 97.11 0.71 0.00 0.00 0.00 46 K H H 120.05 2.19 20.93 22.11 92.20 49.94 -65.42 -40.64 3.61 0.02 96.37 0.63 0.32 2.44 95.48 1.11 0.01 0.01 0.01 47 L H H 44.56 10.10 15.52 27.16 92.43 50.04 -65.72 -39.99 3.86 0.05 96.09 0.85 0.43 2.42 94.57 1.69 0.01 0.02 0.01 48 A H H 39.26 8.76 13.88 24.24 92.17 53.38 -65.03 -35.87 8.60 0.09 91.31 1.68 0.88 5.83 88.54 2.96 0.02 0.05 0.03 49 A H H 74.69 1.99 15.85 17.71 93.47 53.20 -70.73 -27.85 21.05 0.15 78.80 2.66 1.92 16.32 75.62 3.28 0.05 0.07 0.08 50 Y H H 146.69 3.10 13.43 17.48 99.45 51.98 -84.06 -14.87 33.80 0.54 65.67 7.35 6.38 21.49 61.19 2.97 0.10 0.22 0.30 51 N C H 79.22 7.44 10.12 18.85 109.36 52.54 -101.02 90.01 61.09 1.13 37.78 27.66 11.13 22.44 34.80 2.89 0.02 0.43 0.62 52 K C T 164.03 1.66 12.39 14.99 97.77 -144.47 -65.73 -6.27 72.59 0.80 26.61 21.54 16.00 35.54 20.80 5.26 0.02 0.32 0.52 53 K C T 137.95 2.98 11.85 16.28 111.44 90.11 -92.75 111.25 76.83 0.83 22.34 25.14 19.13 33.40 14.31 7.08 0.01 0.33 0.59 54 S C C 74.56 5.56 11.26 18.42 108.01 -150.26 -90.30 69.48 83.09 1.73 15.19 36.22 25.46 22.06 7.64 6.91 0.01 0.80 0.91 55 T C C 94.15 3.65 14.78 19.60 112.80 95.02 -102.38 109.93 82.60 7.51 9.89 50.31 19.86 12.88 5.49 4.37 0.02 4.78 2.29 56 I C C 42.14 15.93 9.66 25.33 119.34 96.34 -105.14 132.33 87.09 9.63 3.28 68.36 17.25 1.39 2.94 0.76 0.00 5.14 4.17 57 S C C 53.27 3.28 20.19 23.03 121.91 -134.54 -82.75 162.56 92.58 4.89 2.53 90.71 1.74 0.60 2.31 0.31 0.00 2.88 1.44 58 A H H 56.13 11.58 12.82 24.94 91.50 -105.81 -58.48 -38.37 2.68 0.01 97.31 0.70 0.44 1.33 97.01 0.51 0.00 0.00 0.00 59 R H H 159.11 1.74 18.38 19.84 91.67 53.74 -63.87 -39.81 1.09 0.00 98.91 0.18 0.11 0.67 98.60 0.44 0.00 0.00 0.00 60 E H H 82.56 7.24 18.51 26.60 91.83 49.07 -65.90 -40.48 0.50 0.00 99.50 0.11 0.05 0.27 99.08 0.49 0.00 0.00 0.00 61 I H H 16.42 20.04 15.24 35.22 91.90 49.83 -63.98 -43.22 0.22 0.00 99.78 0.05 0.01 0.11 99.69 0.13 0.00 0.00 0.00 62 Q H H 68.84 11.28 20.09 31.50 91.30 50.82 -62.61 -41.55 0.26 0.00 99.74 0.03 0.01 0.16 99.70 0.09 0.00 0.00 0.00 63 T H H 64.31 3.40 23.38 26.16 91.74 49.65 -64.62 -41.77 0.53 0.00 99.47 0.05 0.02 0.39 99.37 0.17 0.00 0.00 0.00 64 A H H 17.72 13.34 19.39 33.73 91.83 50.96 -64.10 -42.08 0.93 0.00 99.07 0.08 0.04 0.71 98.72 0.46 0.00 0.00 0.00 65 V H H 13.57 20.73 17.07 37.57 91.84 50.58 -64.19 -40.64 1.52 0.00 98.48 0.11 0.09 1.22 96.59 1.99 0.00 0.00 0.00 66 R H H 118.59 8.50 19.83 28.83 91.28 53.76 -64.44 -34.02 4.66 0.01 95.32 0.25 0.24 4.02 91.55 3.92 0.01 0.01 0.00 67 L H H 94.95 5.08 20.84 26.19 92.73 53.37 -70.50 -31.60 13.75 0.02 86.23 0.44 0.65 12.84 83.15 2.87 0.02 0.01 0.01 68 I H H 52.08 13.91 17.26 31.09 98.67 38.76 -89.85 -29.70 21.73 0.08 78.18 1.10 2.95 17.91 76.65 1.23 0.07 0.02 0.06 69 L C S 34.13 17.19 12.25 29.11 113.11 47.59 -113.59 98.27 97.56 0.36 2.07 22.94 72.51 1.87 2.10 0.20 0.00 0.09 0.30 70 P C C 82.11 4.40 16.09 21.65 113.20 -139.22 -67.17 143.42 83.93 0.37 15.70 52.45 10.59 20.35 12.24 3.94 0.00 0.16 0.28 71 G H H 46.66 2.74 16.79 19.88 114.65 12.78 74.83 -145.93 45.96 0.49 53.55 10.46 13.91 22.56 43.87 8.57 0.09 0.19 0.35 72 E H H 123.37 3.41 17.17 21.07 94.13 -9.52 -67.20 -35.55 18.68 0.30 81.02 5.63 3.70 9.68 69.47 11.16 0.06 0.16 0.13 73 L H H 46.60 12.58 14.18 27.56 92.11 55.09 -64.83 -39.37 10.11 0.32 89.58 4.10 1.60 4.58 78.15 11.25 0.02 0.22 0.08 74 A H H 26.43 13.44 13.98 28.27 91.91 54.47 -64.46 -38.09 7.01 0.24 92.75 2.90 1.01 3.06 80.99 11.79 0.01 0.18 0.05 75 K H H 133.22 2.68 20.37 23.11 92.47 52.17 -66.71 -35.40 11.41 0.34 88.25 3.04 1.62 6.66 76.48 11.83 0.04 0.24 0.09 76 H H H 89.89 6.80 18.25 25.79 95.68 50.10 -79.42 -25.89 19.85 0.75 79.40 6.14 3.19 11.08 68.59 10.16 0.09 0.49 0.25 77 A H H 26.45 15.66 14.01 29.66 96.42 73.80 -66.82 -39.10 28.50 2.77 68.73 16.20 5.67 8.86 60.58 6.09 0.08 1.69 0.82 78 V H H 73.20 9.36 17.18 26.83 96.04 50.17 -70.91 -33.64 33.55 4.08 62.37 18.94 6.12 10.47 54.37 6.18 0.11 2.71 1.09 79 S H H 64.48 4.38 17.72 22.53 97.60 56.02 -74.03 -35.44 42.67 2.83 54.50 21.26 8.55 14.56 46.82 6.12 0.09 1.63 0.96 80 E C H 108.84 6.24 16.52 23.52 97.48 46.77 -73.05 -26.93 57.45 0.90 41.66 12.10 12.12 32.77 36.66 5.40 0.08 0.40 0.48 81 G C T 28.59 10.91 15.21 26.47 99.40 48.26 -53.99 -37.70 65.19 0.74 34.07 20.52 12.88 31.83 28.92 5.12 0.02 0.32 0.39 82 T H H 61.14 9.76 15.44 25.86 95.75 58.70 -70.42 -32.75 45.98 1.80 52.23 31.46 7.52 7.74 46.46 5.23 0.01 0.98 0.58 83 R H H 133.23 4.25 18.40 23.34 94.99 60.18 -67.59 -36.48 31.55 3.37 65.07 21.33 5.62 6.70 57.40 5.84 0.04 2.34 0.74 84 A H H 42.23 8.18 15.96 25.52 93.85 56.35 -67.06 -39.09 24.15 3.95 71.90 17.05 3.92 5.14 63.69 6.35 0.03 3.21 0.61 85 V H H 54.06 11.31 14.77 26.74 94.38 52.79 -67.44 -38.48 20.49 4.21 75.31 14.57 3.40 4.50 67.33 6.00 0.03 3.59 0.58 86 T H H 69.61 5.98 15.94 22.96 94.62 53.21 -68.65 -37.47 22.96 3.58 73.47 15.83 3.67 5.36 66.01 5.59 0.04 2.92 0.58 87 K H H 125.31 3.34 15.87 19.92 94.69 54.58 -69.63 -33.43 28.19 2.64 69.17 16.93 4.94 8.19 62.22 5.21 0.05 1.86 0.60 88 Y H H 118.60 7.33 11.78 20.32 99.34 54.30 -81.97 -20.05 34.60 2.06 63.34 19.24 6.63 10.60 57.25 4.40 0.05 1.20 0.63 89 S H H 68.19 5.60 11.17 18.22 103.17 64.87 -85.61 -0.04 45.96 1.77 52.27 25.04 8.24 13.53 48.16 3.46 0.03 0.90 0.63 90 S C H 81.23 2.88 10.32 14.67 104.00 70.58 -85.78 20.09 61.02 1.82 37.16 29.18 12.17 19.81 33.52 3.69 0.03 0.87 0.73 91 S C C 83.74 2.77 9.00 13.50 105.44 99.03 -87.80 39.72 78.86 1.45 19.69 56.62 3.45 17.97 18.15 2.35 0.00 0.80 0.67 92 T C C 99.25 3.30 10.90 15.87 108.70 124.16 -94.19 86.99 99.85 0.09 0.06 99.71 0.11 0.08 0.04 0.00 0.00 0.04 0.01