# 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 121.29 3.95 10.19 15.68 113.65 -146.72 -87.30 135.60 99.93 0.04 0.02 99.85 0.08 0.05 0.01 0.00 0.00 0.02 0.01 1 S C C 75.03 2.61 9.00 13.09 112.57 -132.82 -84.16 143.60 93.52 1.33 5.15 90.49 0.84 2.90 3.70 0.77 0.00 0.56 0.72 2 F C C 152.38 2.15 8.33 11.76 97.19 -128.19 -71.62 -24.09 81.82 1.21 16.97 65.22 7.69 7.73 15.82 2.31 0.00 0.54 0.68 3 S C C 71.27 2.50 9.43 13.24 98.35 62.05 -72.54 -30.86 75.98 0.46 23.56 66.01 3.82 4.88 23.30 1.59 0.00 0.21 0.20 4 S H H 69.16 2.27 10.42 13.68 95.88 59.45 -69.13 -36.23 47.24 0.59 52.17 39.47 3.46 4.63 49.33 2.59 0.00 0.28 0.23 5 L H H 108.38 1.64 10.81 12.86 94.19 54.25 -67.96 -37.59 22.57 0.48 76.95 15.86 3.10 5.06 72.02 3.53 0.01 0.25 0.17 6 Y H H 131.38 2.57 10.58 14.30 94.05 52.43 -68.04 -38.00 14.47 0.39 85.14 9.03 2.30 4.40 79.95 3.95 0.01 0.23 0.13 7 K H H 118.49 2.59 11.38 15.09 93.63 54.17 -67.57 -36.92 11.35 0.31 88.34 6.02 1.96 4.36 83.40 3.96 0.02 0.19 0.09 8 T H H 81.03 1.99 11.87 14.45 93.54 52.07 -67.22 -38.60 10.91 0.31 88.78 3.86 1.87 5.84 83.31 4.75 0.06 0.20 0.10 9 F H H 130.69 2.14 11.82 14.54 93.87 48.93 -70.03 -36.88 13.83 0.44 85.73 3.66 2.40 8.53 79.87 5.01 0.11 0.27 0.16 10 F H H 122.88 3.39 10.51 15.28 97.55 47.39 -81.44 -23.19 25.18 0.85 73.97 7.63 4.60 14.36 67.24 5.22 0.11 0.48 0.36 11 K H H 134.45 2.46 11.73 15.26 96.97 68.58 -72.94 -27.94 43.90 1.20 54.89 14.04 8.81 22.57 49.01 4.33 0.09 0.57 0.58 12 R C H 146.67 2.65 11.55 15.27 106.64 53.64 -93.68 55.25 56.15 1.59 42.25 25.02 13.24 18.76 37.70 3.76 0.04 0.64 0.84 13 N H H 88.51 4.60 10.77 16.91 103.69 136.82 -78.17 -26.59 36.05 0.74 63.21 22.39 7.37 7.13 60.03 2.44 0.01 0.29 0.33 14 A H H 73.18 2.42 12.61 15.72 94.71 54.37 -66.76 -34.67 13.97 0.22 85.81 4.90 2.45 7.00 82.79 2.64 0.02 0.11 0.08 15 V H H 85.88 2.68 13.40 16.64 93.42 51.90 -66.94 -39.72 7.77 0.22 92.01 2.94 1.17 3.85 89.86 1.98 0.02 0.13 0.06 16 F H H 104.79 4.16 12.91 18.50 92.47 50.66 -65.86 -40.36 3.02 0.08 96.90 1.26 0.40 1.31 95.92 1.04 0.00 0.05 0.01 17 V H H 83.13 3.11 14.16 18.03 92.11 50.59 -64.83 -41.33 1.23 0.01 98.75 0.41 0.12 0.57 98.54 0.34 0.00 0.01 0.00 18 G H H 38.71 2.22 14.89 17.33 92.00 51.06 -64.31 -41.04 0.90 0.01 99.09 0.19 0.07 0.51 98.97 0.26 0.00 0.00 0.00 19 T H H 75.27 2.34 15.03 17.59 92.59 49.23 -65.92 -41.28 0.81 0.00 99.19 0.12 0.06 0.52 99.10 0.20 0.00 0.00 0.00 20 I H H 90.40 3.24 14.71 18.75 92.20 49.31 -64.74 -42.11 0.83 0.01 99.16 0.11 0.06 0.57 99.11 0.15 0.00 0.00 0.00 21 F H H 116.56 2.57 15.60 18.43 91.97 48.71 -65.06 -41.81 0.95 0.01 99.04 0.13 0.08 0.66 99.00 0.13 0.00 0.00 0.00 22 A H H 59.73 1.95 16.14 17.69 91.61 50.27 -63.83 -41.99 0.49 0.00 99.51 0.07 0.03 0.31 99.51 0.08 0.00 0.00 0.00 23 G H H 35.35 2.39 15.73 18.36 92.01 50.43 -64.05 -41.19 0.40 0.00 99.60 0.04 0.02 0.26 99.61 0.07 0.00 0.00 0.00 24 A H H 50.94 3.31 14.60 18.98 91.92 50.76 -63.94 -41.44 0.27 0.00 99.73 0.02 0.01 0.17 99.74 0.05 0.00 0.00 0.00 25 F H H 117.04 2.37 15.64 18.11 91.98 50.22 -64.85 -41.31 0.27 0.00 99.73 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 26 V H H 91.00 1.44 16.18 16.53 91.86 49.94 -64.12 -42.04 0.34 0.00 99.66 0.03 0.01 0.23 99.67 0.05 0.00 0.00 0.00 27 F H H 120.49 1.80 15.62 17.00 92.03 49.40 -64.91 -41.24 0.37 0.00 99.63 0.03 0.01 0.25 99.63 0.07 0.00 0.00 0.00 28 Q H H 91.01 3.61 14.36 19.03 92.14 50.63 -64.48 -40.61 0.49 0.00 99.51 0.04 0.02 0.36 99.50 0.09 0.00 0.00 0.00 29 T H H 74.44 2.50 15.31 18.08 91.97 50.46 -64.75 -41.13 0.75 0.00 99.25 0.06 0.04 0.57 99.22 0.11 0.00 0.00 0.00 30 V H H 87.44 1.49 16.18 16.63 91.83 50.00 -64.39 -41.81 1.04 0.00 98.96 0.11 0.07 0.72 98.97 0.13 0.00 0.00 0.00 31 F H H 115.37 2.11 15.62 17.60 92.13 49.08 -65.03 -41.48 0.82 0.00 99.18 0.13 0.06 0.51 99.13 0.15 0.00 0.00 0.00 32 D H H 71.80 3.91 14.29 19.46 92.02 50.51 -64.63 -40.96 0.83 0.00 99.17 0.13 0.06 0.52 99.16 0.13 0.00 0.00 0.00 33 T H H 78.92 2.15 15.92 17.95 92.04 50.03 -65.13 -40.80 0.96 0.00 99.04 0.09 0.06 0.69 99.00 0.16 0.00 0.00 0.00 34 A H H 61.80 1.73 16.56 17.44 92.05 49.87 -64.70 -41.31 1.14 0.00 98.86 0.11 0.07 0.81 98.84 0.18 0.00 0.00 0.00 35 I H H 85.47 2.83 15.61 18.96 92.04 49.17 -64.84 -41.56 1.38 0.00 98.62 0.17 0.10 0.94 98.59 0.20 0.00 0.00 0.00 36 T H H 63.49 4.09 14.61 20.07 91.90 50.27 -64.43 -41.24 1.53 0.00 98.47 0.22 0.12 1.00 98.43 0.23 0.00 0.00 0.00 37 S H H 59.01 2.13 15.63 17.77 91.79 50.82 -63.92 -41.45 1.73 0.00 98.27 0.19 0.13 1.23 98.13 0.31 0.00 0.00 0.00 38 W H H 142.54 1.63 15.67 16.61 91.91 49.21 -64.00 -42.31 1.31 0.01 98.68 0.14 0.11 0.97 98.43 0.33 0.00 0.00 0.00 39 Y H H 108.02 3.48 13.44 18.25 92.41 48.80 -65.14 -41.24 1.30 0.01 98.69 0.18 0.13 0.90 98.32 0.46 0.00 0.00 0.00 40 E H H 93.60 4.14 12.39 18.11 92.11 51.17 -65.00 -39.01 2.35 0.01 97.64 0.28 0.18 1.74 96.97 0.81 0.01 0.00 0.00 41 N H H 112.71 1.11 14.08 14.36 93.34 48.44 -69.64 -37.09 5.78 0.02 94.21 0.40 0.40 4.83 93.19 1.15 0.01 0.01 0.00 42 H H H 132.31 1.65 13.19 14.69 95.96 42.44 -80.99 -28.75 18.72 0.06 81.22 0.90 1.53 16.43 79.54 1.49 0.05 0.02 0.04 43 N C H 75.65 5.75 9.37 16.95 102.05 40.19 -104.29 18.40 56.63 0.56 42.81 11.27 7.06 37.95 40.62 2.51 0.04 0.20 0.35 44 K C T 141.55 2.86 11.36 15.90 104.49 142.22 -48.66 107.70 64.60 0.88 34.52 12.68 7.96 43.70 25.68 8.88 0.06 0.41 0.63 45 G C T 53.08 2.40 13.30 16.31 98.15 9.94 78.96 -5.14 63.22 0.47 36.31 9.17 9.58 43.83 23.80 13.00 0.05 0.20 0.37 46 K C H 120.89 2.96 12.81 16.77 100.29 83.24 -84.28 -6.31 54.22 0.86 44.92 21.98 11.56 21.23 31.10 13.19 0.04 0.38 0.53 47 L H H 78.05 5.50 11.94 19.12 96.14 77.90 -67.57 -36.15 43.79 1.17 55.04 22.25 8.96 14.07 44.81 8.71 0.03 0.56 0.60 48 W H H 131.49 5.03 11.98 18.54 93.47 54.64 -65.80 -37.73 17.42 0.39 82.19 7.77 3.11 7.32 70.43 10.97 0.03 0.23 0.15 49 K H H 136.28 1.54 14.57 15.93 92.53 53.77 -66.05 -38.77 10.26 0.13 89.61 2.43 1.33 6.04 77.47 12.58 0.02 0.09 0.04 50 D H H 89.54 2.04 13.83 16.05 93.67 48.53 -69.79 -33.54 13.34 0.13 86.53 2.36 1.51 8.84 74.16 12.96 0.04 0.08 0.05 51 V H H 66.41 5.24 11.67 18.71 97.05 45.54 -81.04 -31.34 16.16 0.22 83.62 4.05 2.50 9.91 75.09 8.16 0.06 0.12 0.11 52 K H H 109.41 4.08 12.59 18.30 92.15 63.10 -61.50 -41.25 6.46 0.11 93.43 2.03 0.88 3.49 83.75 9.73 0.02 0.07 0.03 53 A H H 68.17 1.70 13.89 15.51 91.95 51.55 -64.86 -38.48 6.44 0.08 93.48 1.31 0.66 4.07 82.28 11.59 0.01 0.06 0.02 54 R H H 148.91 1.95 13.38 15.80 92.72 51.72 -67.78 -36.47 7.73 0.16 92.10 1.97 1.03 4.55 81.75 10.52 0.03 0.11 0.05 55 I H H 94.64 4.40 10.87 16.82 95.55 49.71 -72.40 -31.73 16.95 0.83 82.22 6.55 3.56 8.20 76.75 4.10 0.08 0.44 0.34 56 A H H 72.86 2.82 11.01 15.01 97.33 55.32 -78.27 -20.55 39.33 1.85 58.82 20.52 6.69 13.23 55.61 2.26 0.04 0.81 0.83 57 A C H 79.47 2.26 10.52 13.98 103.09 80.63 -82.10 20.59 58.78 1.25 39.98 25.90 10.90 21.52 38.17 2.38 0.03 0.50 0.61 58 G C C 51.45 2.85 10.47 14.78 110.23 16.13 73.52 1.37 77.42 0.87 21.71 31.36 17.47 28.91 17.93 3.47 0.01 0.33 0.52 59 D C C 113.62 2.12 10.32 13.70 105.42 -39.81 -86.28 53.65 85.33 0.93 13.74 40.41 21.38 24.34 7.94 4.90 0.00 0.36 0.66 60 G C C 49.79 3.45 9.32 14.39 108.52 46.18 -44.60 77.49 85.50 0.98 13.52 42.44 22.46 21.30 5.26 7.42 0.00 0.40 0.72 61 D C C 106.90 2.55 8.76 12.82 106.08 111.56 -85.32 59.94 79.11 1.18 19.71 46.91 16.25 16.10 6.91 12.50 0.00 0.53 0.80 62 D C C 109.95 2.23 7.79 11.61 104.94 123.54 -86.09 44.38 72.91 1.27 25.83 39.62 14.94 18.70 7.72 17.66 0.00 0.59 0.77 63 D C C 115.04 1.74 7.21 10.45 104.94 98.04 -86.13 40.62 73.92 1.38 24.70 41.05 14.20 19.11 7.41 16.76 0.01 0.65 0.82 64 D C C 113.93 1.76 6.95 10.26 107.65 120.83 -88.30 95.24 83.51 0.76 15.72 70.81 3.03 11.76 5.74 7.80 0.00 0.42 0.43 65 E C C 145.66 2.01 9.29 12.88 108.12 -155.02 -85.45 115.35 99.89 0.03 0.08 99.68 0.12 0.14 0.03 0.01 0.00 0.01 0.01