# 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 T C C 68.94 5.17 12.98 19.42 109.68 -162.63 -89.41 143.57 99.61 0.18 0.21 99.54 0.11 0.08 0.16 0.01 0.00 0.05 0.05 1 L H H 115.29 1.85 11.03 13.62 94.36 54.79 -65.45 -36.76 6.93 0.04 93.03 4.87 0.44 1.56 92.69 0.41 0.00 0.01 0.02 2 I H H 116.27 1.14 11.01 12.10 92.80 53.12 -65.25 -40.30 2.08 0.01 97.91 0.66 0.21 1.02 97.70 0.40 0.00 0.00 0.00 3 E H H 111.13 2.08 11.11 14.14 92.26 50.78 -65.95 -39.29 0.85 0.00 99.14 0.25 0.08 0.43 98.83 0.40 0.00 0.00 0.00 4 L H H 97.21 1.98 11.51 14.27 92.08 51.03 -64.83 -40.62 0.31 0.00 99.69 0.09 0.02 0.15 99.58 0.16 0.00 0.00 0.00 5 M H H 114.66 1.27 13.08 13.89 91.98 50.44 -65.15 -40.19 0.15 0.00 99.85 0.03 0.01 0.07 99.84 0.04 0.00 0.00 0.00 6 I H H 100.65 1.48 13.46 14.57 92.26 49.99 -65.17 -41.52 0.11 0.00 99.89 0.02 0.00 0.06 99.90 0.02 0.00 0.00 0.00 7 V H H 80.93 2.16 13.26 15.89 92.09 49.70 -64.83 -42.42 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 8 V H H 87.27 1.76 13.94 15.68 91.78 49.59 -64.47 -41.51 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 9 A H H 63.56 1.56 14.25 15.42 91.74 50.46 -64.51 -41.52 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 10 I H H 102.57 1.42 14.97 15.58 92.24 49.18 -65.08 -41.95 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 11 I H H 96.99 1.98 14.29 16.27 91.87 49.15 -64.83 -41.49 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 12 G H H 37.71 2.38 13.58 16.66 91.69 51.08 -63.85 -41.37 0.22 0.00 99.78 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 13 I H H 104.96 1.35 15.28 15.66 92.08 49.61 -64.89 -41.68 0.25 0.00 99.75 0.01 0.01 0.19 99.73 0.07 0.00 0.00 0.00 14 L H H 99.19 1.63 15.03 16.16 91.96 49.67 -64.76 -40.99 0.30 0.00 99.70 0.02 0.01 0.22 99.59 0.16 0.00 0.00 0.00 15 A H H 56.12 3.07 13.00 17.27 92.00 51.59 -64.86 -40.15 0.57 0.00 99.43 0.02 0.02 0.47 98.83 0.67 0.00 0.00 0.00 16 A H H 66.10 1.95 14.24 16.28 91.92 52.02 -65.47 -38.68 2.69 0.00 97.31 0.05 0.06 2.74 95.59 1.56 0.00 0.00 0.00 17 I H H 112.26 1.34 15.02 15.42 92.99 48.71 -70.04 -35.37 12.09 0.00 87.91 0.15 0.29 12.35 85.62 1.58 0.00 0.00 0.00 18 A H H 55.27 3.16 12.95 17.28 93.43 52.36 -69.55 -34.63 18.51 0.02 81.48 1.11 1.78 15.45 79.26 2.36 0.02 0.00 0.02 19 I H H 91.46 2.85 13.40 17.31 92.25 58.10 -62.46 -42.64 14.58 0.08 85.34 3.57 1.94 7.70 61.44 25.26 0.01 0.04 0.04 20 P H H 78.58 2.06 14.47 16.68 91.95 50.39 -64.56 -38.97 11.22 0.06 88.72 2.15 0.93 6.38 62.81 27.66 0.01 0.03 0.02 21 Q H H 105.96 1.94 14.64 16.59 92.36 51.17 -66.05 -38.81 9.03 0.05 90.92 1.58 0.86 5.22 64.79 27.50 0.01 0.03 0.02 22 Y H H 127.19 2.55 14.14 17.28 92.60 50.81 -66.26 -39.41 16.31 0.25 83.44 5.71 2.95 8.02 70.18 12.86 0.04 0.13 0.13 23 Q H H 103.03 2.58 14.12 17.43 92.14 52.55 -64.89 -39.77 17.27 0.14 82.59 5.79 2.74 9.27 78.18 3.86 0.02 0.06 0.08 24 N H H 93.10 2.42 14.83 17.60 92.47 51.35 -66.38 -39.63 15.19 0.07 84.73 4.23 2.01 8.93 82.24 2.49 0.01 0.03 0.04 25 Y H H 133.39 1.85 15.80 17.19 92.54 49.72 -65.74 -41.64 8.33 0.06 91.60 2.43 1.45 4.61 89.71 1.74 0.01 0.03 0.03 26 I H H 91.28 2.43 15.69 18.30 92.27 49.06 -65.00 -41.87 6.02 0.06 93.92 2.19 0.98 2.92 92.74 1.11 0.01 0.03 0.02 27 A H H 49.30 4.18 14.31 19.98 92.19 50.74 -64.28 -41.26 4.41 0.03 95.56 1.56 0.59 2.17 94.68 0.98 0.00 0.01 0.01 28 K H H 123.68 2.08 16.52 18.48 91.83 50.10 -65.07 -40.53 3.90 0.02 96.08 1.03 0.50 2.18 95.44 0.83 0.00 0.01 0.01 29 S H H 58.65 2.20 16.74 18.55 91.89 49.95 -64.81 -41.15 4.28 0.02 95.70 1.20 0.51 2.27 95.39 0.61 0.00 0.01 0.01 30 Q H H 91.39 3.71 16.06 20.60 92.25 50.15 -65.04 -41.01 2.84 0.01 97.15 0.87 0.35 1.40 96.97 0.40 0.00 0.00 0.01 31 V H H 71.01 4.80 15.42 21.32 92.04 50.19 -64.49 -41.73 1.58 0.01 98.41 0.48 0.17 0.77 98.33 0.25 0.00 0.00 0.00 32 S H H 63.81 1.88 17.47 18.58 91.72 50.23 -64.37 -41.11 1.19 0.00 98.81 0.39 0.11 0.55 98.74 0.21 0.00 0.00 0.00 33 R H H 137.10 1.95 17.24 18.66 92.05 49.61 -65.37 -40.82 0.96 0.00 99.04 0.24 0.08 0.51 98.96 0.20 0.00 0.00 0.00 34 V H H 62.45 5.83 14.83 22.21 92.27 49.46 -64.50 -41.93 0.93 0.00 99.07 0.24 0.08 0.50 99.00 0.17 0.00 0.00 0.00 35 M H H 104.66 3.24 16.66 20.35 91.71 50.50 -64.19 -40.84 0.93 0.00 99.07 0.23 0.08 0.49 99.04 0.16 0.00 0.00 0.00 36 S H H 67.19 1.57 17.96 18.21 92.05 50.16 -64.52 -41.25 1.59 0.00 98.41 0.36 0.13 0.91 98.37 0.22 0.00 0.00 0.00 37 E H H 99.16 3.43 16.94 20.86 92.07 49.15 -65.44 -40.83 2.14 0.00 97.86 0.35 0.16 1.37 97.80 0.30 0.00 0.00 0.00 38 T H H 56.73 6.53 15.22 23.20 91.80 50.24 -64.33 -41.11 2.61 0.00 97.38 0.42 0.23 1.66 97.29 0.39 0.00 0.00 0.00 39 G H H 36.62 2.62 17.34 20.01 91.48 51.52 -63.38 -40.99 3.89 0.01 96.10 0.74 0.34 2.43 95.99 0.49 0.00 0.00 0.01 40 S H H 63.94 2.03 17.90 19.19 91.92 50.35 -65.14 -40.15 4.73 0.01 95.26 0.66 0.33 3.26 95.20 0.55 0.00 0.00 0.00 41 L H H 74.47 6.17 15.49 22.89 91.96 50.83 -64.94 -41.36 1.97 0.00 98.03 0.39 0.19 1.13 97.94 0.34 0.00 0.00 0.00 42 K H H 110.43 5.05 16.53 22.64 91.62 51.98 -63.86 -41.01 0.86 0.00 99.14 0.21 0.07 0.43 99.13 0.15 0.00 0.00 0.00 43 T H H 80.33 1.72 18.61 19.01 91.80 49.99 -64.53 -41.39 0.70 0.00 99.30 0.16 0.05 0.38 99.29 0.12 0.00 0.00 0.00 44 V H H 73.42 3.46 17.46 21.32 91.97 49.67 -64.70 -41.88 0.39 0.00 99.61 0.07 0.03 0.21 99.62 0.08 0.00 0.00 0.00 45 I H H 58.88 8.75 14.77 24.94 91.87 49.88 -64.03 -42.15 0.23 0.00 99.76 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 46 E H H 99.35 3.20 17.50 21.05 91.61 50.16 -63.77 -41.41 0.28 0.00 99.72 0.04 0.01 0.15 99.73 0.06 0.00 0.00 0.00 47 T H H 75.36 1.72 17.59 18.16 91.89 49.49 -64.44 -41.40 0.60 0.00 99.40 0.06 0.04 0.41 99.38 0.13 0.00 0.00 0.00 48 C H H 39.88 5.92 12.97 21.11 91.92 50.35 -64.82 -41.67 1.45 0.01 98.54 0.20 0.12 0.97 98.35 0.36 0.00 0.00 0.00 49 I H H 82.08 5.98 12.04 19.66 92.17 49.94 -65.51 -40.57 2.79 0.03 97.19 0.44 0.23 1.98 96.42 0.90 0.01 0.01 0.01 50 L H H 130.25 1.24 13.09 14.22 91.92 52.24 -67.49 -28.85 9.40 0.05 90.55 0.57 0.63 8.18 89.72 0.82 0.03 0.02 0.02 51 D C T 111.91 1.14 12.33 13.16 94.65 50.67 -87.71 -0.04 74.00 0.06 25.95 0.70 2.01 69.50 26.74 0.97 0.00 0.02 0.05 52 G C T 59.63 1.64 11.71 14.24 96.38 -105.80 81.86 9.69 97.13 0.04 2.82 3.56 4.14 89.44 2.47 0.35 0.00 0.02 0.02 53 K C C 116.14 4.03 10.38 16.51 118.86 134.96 -93.01 141.63 96.57 0.73 2.70 80.70 13.26 2.58 1.30 1.24 0.00 0.26 0.65 54 T C C 79.16 4.28 12.67 18.46 120.61 -133.69 -97.56 150.91 91.21 2.03 6.76 76.96 9.09 4.81 2.97 3.77 0.00 0.89 1.50 55 A C G 63.15 8.06 10.41 19.69 95.96 -118.79 -66.79 -27.28 54.59 2.09 43.32 25.29 11.22 19.46 6.75 35.26 0.01 1.05 0.95 56 A C G 80.02 2.86 12.92 16.98 95.34 64.71 -71.86 -18.92 53.58 1.18 45.24 12.00 11.79 30.68 5.95 38.36 0.01 0.62 0.58 57 N C G 118.27 2.09 13.97 16.55 98.49 52.26 -90.04 1.94 54.96 1.79 43.25 21.21 13.01 22.29 5.88 35.87 0.01 0.91 0.82 58 C C C 59.71 10.35 8.19 19.05 113.72 103.79 -93.02 123.53 79.60 5.67 14.73 49.31 22.13 7.79 5.37 9.12 0.01 2.26 4.01 59 E C C 132.74 2.70 12.92 16.91 111.07 -142.55 -94.25 118.47 90.56 3.94 5.50 75.87 9.81 4.36 2.41 3.08 0.00 1.81 2.67 60 L C T 114.99 4.79 10.11 16.82 108.22 -138.69 -73.32 127.33 90.04 2.13 7.83 23.13 12.48 54.77 2.59 4.82 0.00 1.15 1.05 61 G C T 54.90 2.47 13.03 16.44 100.94 29.56 83.52 -0.46 91.38 1.66 6.96 23.45 13.28 55.06 2.10 4.47 0.00 0.92 0.72 62 W C C 146.15 5.75 9.21 16.68 107.75 127.65 -86.34 102.29 84.93 3.80 11.27 60.86 13.95 9.62 4.57 6.76 0.00 1.83 2.41 63 T C C 87.41 4.46 10.07 16.12 115.41 125.74 -102.72 135.83 80.80 4.16 15.04 48.99 15.89 16.02 6.30 8.44 0.01 2.02 2.33 64 N C C 123.64 2.18 11.23 14.60 104.78 -130.75 -87.09 50.80 72.14 3.05 24.80 30.61 20.15 22.74 8.11 15.23 0.03 1.41 1.72 65 S C C 71.46 4.78 8.92 15.37 113.02 122.48 -93.23 128.06 67.87 2.28 29.85 31.66 15.94 21.47 8.59 20.04 0.02 1.11 1.17 66 N C C 119.35 2.47 10.29 14.32 104.86 -144.32 -90.86 47.88 67.18 4.36 28.46 32.92 15.49 20.21 8.50 18.71 0.03 2.41 1.71 67 L C C 113.38 4.16 8.09 14.15 105.43 116.21 -87.87 33.07 67.77 12.51 19.72 39.80 13.72 15.28 7.80 11.05 0.07 7.31 4.97 68 L C C 125.56 2.62 8.82 13.19 109.60 96.16 -93.81 105.04 83.62 10.19 6.19 72.80 2.63 8.26 3.23 2.29 0.00 6.76 4.03 69 G C C 51.82 3.01 12.83 17.15 114.41 -69.66 89.81 -17.49 99.90 0.09 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.05 0.01