# 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 107.06 7.44 17.93 25.74 109.32 -143.17 -93.68 94.92 99.94 0.06 0.01 99.81 0.11 0.04 0.00 0.00 0.00 0.02 0.01 1 L C C 36.66 17.83 8.78 25.54 117.57 -128.74 -91.19 137.75 98.81 0.86 0.33 97.55 1.17 0.21 0.25 0.03 0.00 0.24 0.55 2 T C C 70.45 2.49 16.64 19.03 122.29 -129.98 -81.57 164.21 98.85 0.50 0.65 96.94 1.75 0.27 0.53 0.06 0.00 0.13 0.31 3 N H H 111.18 3.84 12.08 17.90 91.82 -103.97 -58.70 -39.21 4.13 0.01 95.86 1.12 0.93 1.89 95.57 0.48 0.00 0.00 0.01 4 S H H 77.50 1.18 15.55 15.59 92.23 52.56 -64.89 -40.07 2.25 0.00 97.74 0.41 0.27 1.35 97.44 0.52 0.00 0.00 0.00 5 D H H 61.24 7.10 14.82 23.39 92.46 48.51 -66.56 -39.48 1.09 0.00 98.91 0.34 0.12 0.54 98.51 0.48 0.00 0.00 0.00 6 R H H 63.39 16.19 13.24 29.02 91.52 52.51 -62.43 -41.96 0.32 0.00 99.68 0.07 0.03 0.15 99.66 0.09 0.00 0.00 0.00 7 E H H 102.45 3.91 19.33 23.74 91.46 50.90 -64.01 -40.53 0.19 0.00 99.81 0.03 0.01 0.10 99.83 0.04 0.00 0.00 0.00 8 Q H H 102.41 2.11 21.75 22.44 91.86 49.73 -64.91 -41.23 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 9 I H H 14.86 16.21 16.48 33.75 91.84 49.51 -63.71 -43.52 0.31 0.00 99.69 0.03 0.02 0.21 99.65 0.10 0.00 0.00 0.00 10 I H H 25.38 17.58 15.86 33.54 91.65 49.57 -63.51 -41.36 0.46 0.00 99.54 0.04 0.03 0.33 99.25 0.35 0.00 0.00 0.00 11 A H H 67.44 2.82 20.46 23.01 91.65 51.85 -64.47 -37.61 2.58 0.00 97.42 0.11 0.09 2.33 94.21 3.24 0.00 0.00 0.00 12 Q H H 110.69 3.71 20.09 24.12 92.29 50.66 -69.37 -30.99 12.24 0.00 87.76 0.28 0.39 12.06 83.71 3.55 0.01 0.00 0.00 13 Y H H 46.43 17.38 13.89 30.97 99.99 38.57 -102.45 -1.51 29.35 0.08 70.57 2.93 3.53 22.77 66.83 3.80 0.04 0.03 0.07 14 Q C C 76.55 12.90 13.75 26.85 110.86 111.59 -73.32 126.43 88.81 0.72 10.47 65.38 8.34 14.95 7.76 2.60 0.00 0.24 0.73 15 R C C 146.95 5.33 15.12 21.77 105.24 -173.98 -97.92 -7.02 91.05 1.43 7.52 55.84 21.75 13.33 3.73 3.42 0.00 0.46 1.47 16 G C C 35.62 3.84 15.85 20.45 135.24 -12.07 130.95 176.77 92.35 2.67 4.98 43.24 41.65 6.83 1.30 3.38 0.00 0.73 2.89 17 E C T 154.74 2.18 13.73 17.06 95.00 -66.98 -67.67 -25.10 96.70 0.28 3.02 1.57 10.41 84.55 0.21 2.95 0.00 0.16 0.15 18 N C T 122.74 2.02 15.45 17.96 97.03 45.96 -91.51 9.40 98.03 0.28 1.70 3.99 8.53 85.08 0.12 1.98 0.00 0.17 0.12 19 D C C 37.53 15.60 10.32 25.91 106.36 126.73 -77.24 105.34 97.16 2.41 0.43 90.04 5.95 0.73 0.12 0.28 0.00 0.72 2.14 20 T C T 80.93 6.70 18.65 26.20 98.80 164.96 -97.04 -2.80 98.96 0.61 0.43 40.96 11.21 46.82 0.09 0.30 0.00 0.31 0.30 21 G C T 33.47 11.77 18.20 29.63 99.06 38.15 69.40 2.66 99.13 0.49 0.38 17.23 33.23 48.72 0.08 0.29 0.00 0.22 0.22 22 S C C 33.90 10.19 19.97 31.23 115.38 133.33 -75.59 138.12 99.52 0.23 0.25 88.88 10.40 0.14 0.22 0.03 0.00 0.04 0.28 23 P H H 42.39 16.31 18.93 35.12 92.49 -132.38 -60.17 -36.05 1.58 0.00 98.42 0.19 0.21 0.95 98.52 0.14 0.00 0.00 0.00 24 E H H 80.56 12.77 22.93 35.02 91.85 54.82 -63.68 -40.53 0.46 0.00 99.54 0.03 0.03 0.32 99.52 0.10 0.00 0.00 0.00 25 V H H 24.43 15.34 22.52 37.84 92.23 48.97 -65.79 -42.26 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 26 Q H H 39.22 17.18 24.47 40.54 91.82 50.76 -63.82 -42.86 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 27 V H H 14.65 20.12 24.01 43.35 91.53 49.87 -63.60 -43.36 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 28 A H H 23.04 13.53 25.69 39.54 91.71 50.37 -64.08 -42.43 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 29 L H H 38.34 13.97 26.02 39.91 91.64 49.55 -64.09 -42.70 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 30 L H H 16.27 20.15 23.96 43.38 91.83 49.29 -64.47 -42.47 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 31 S H H 21.04 15.90 23.32 38.84 91.96 51.00 -63.80 -41.75 0.18 0.00 99.82 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 32 A H H 32.41 8.62 24.32 33.82 91.59 50.85 -63.96 -42.23 0.17 0.00 99.83 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 33 R H H 79.38 11.71 23.96 35.39 92.00 49.29 -64.67 -41.59 0.28 0.00 99.72 0.02 0.01 0.16 99.77 0.03 0.00 0.00 0.00 34 I H H 13.52 20.77 18.40 39.00 91.80 50.51 -63.71 -42.14 0.33 0.00 99.67 0.03 0.01 0.21 99.67 0.08 0.00 0.00 0.00 35 N H H 76.27 7.20 22.67 30.15 91.43 50.84 -64.10 -39.96 1.10 0.00 98.90 0.05 0.04 0.89 98.79 0.24 0.00 0.00 0.00 36 D H H 78.13 4.08 22.72 26.61 91.82 50.20 -67.13 -36.80 8.03 0.00 91.96 0.16 0.17 7.71 91.42 0.54 0.00 0.00 0.00 37 L H H 20.44 17.43 16.18 33.81 92.89 50.25 -69.25 -32.46 9.38 0.00 90.61 0.46 0.42 7.99 90.42 0.71 0.00 0.00 0.00 38 Q H H 63.87 12.84 16.98 30.01 91.64 59.60 -61.28 -41.85 1.82 0.00 98.18 0.31 0.16 1.05 97.87 0.60 0.00 0.00 0.00 39 N H H 93.26 1.67 21.62 21.22 91.78 50.62 -64.48 -40.31 1.56 0.00 98.44 0.20 0.10 1.07 97.69 0.93 0.00 0.00 0.00 40 H H H 64.60 7.07 17.00 25.64 92.17 50.11 -65.52 -40.49 1.24 0.00 98.76 0.14 0.10 0.89 97.78 1.09 0.00 0.00 0.00 41 F H H 33.86 15.61 11.55 27.53 92.08 51.02 -65.24 -39.02 1.53 0.00 98.46 0.19 0.16 1.10 97.42 1.13 0.00 0.00 0.00 42 K H H 143.41 1.93 16.04 18.31 92.13 51.09 -66.13 -35.90 5.63 0.00 94.37 0.30 0.34 4.85 93.47 1.04 0.00 0.00 0.00 43 A H H 83.42 1.23 15.23 15.53 93.11 48.80 -73.91 -27.98 15.20 0.01 84.79 0.44 1.24 13.36 84.10 0.83 0.02 0.00 0.01 44 H C C 84.42 7.84 10.10 19.38 107.22 34.88 -116.95 67.07 80.21 0.24 19.55 35.53 16.23 27.47 18.75 1.68 0.00 0.06 0.27 45 K C T 150.80 2.98 13.04 17.79 98.03 -153.73 -61.91 -17.58 92.80 0.15 7.04 11.60 7.83 73.07 1.93 5.38 0.00 0.07 0.12 46 A C T 77.58 3.69 13.17 17.70 101.12 61.00 -83.65 16.19 92.89 0.12 6.98 7.59 12.91 71.98 1.49 5.86 0.00 0.06 0.10 47 D C C 55.99 8.99 10.49 20.95 106.05 90.02 -95.75 100.14 92.99 0.30 6.71 84.71 6.08 2.93 3.13 2.77 0.00 0.10 0.29 48 H H H 122.84 3.86 14.20 19.75 94.65 -171.03 -67.83 -32.60 28.79 0.15 71.06 11.38 5.12 12.91 62.24 8.18 0.01 0.06 0.10 49 H H H 123.97 2.38 16.96 19.25 92.60 56.51 -66.32 -38.94 19.27 0.07 80.66 3.90 2.57 12.28 73.37 7.79 0.02 0.03 0.04 50 S H H 29.06 10.92 14.05 26.34 92.29 51.29 -66.95 -39.00 11.66 0.07 88.26 4.59 1.55 5.22 81.34 7.22 0.01 0.04 0.03 51 R H H 99.00 10.63 16.56 27.53 92.02 54.00 -63.73 -40.48 4.59 0.03 95.37 1.98 0.68 1.89 93.51 1.92 0.00 0.02 0.01 52 R H H 134.37 2.27 21.60 22.81 91.69 50.94 -64.54 -41.63 1.28 0.00 98.71 0.33 0.14 0.63 98.52 0.36 0.00 0.00 0.00 53 G H H 21.27 7.41 18.86 27.80 91.72 50.92 -63.51 -41.92 0.96 0.00 99.04 0.21 0.09 0.51 98.93 0.26 0.00 0.00 0.00 54 L H H 26.20 17.20 16.32 33.58 92.12 50.52 -64.32 -41.68 0.40 0.00 99.60 0.08 0.03 0.21 99.54 0.14 0.00 0.00 0.00 55 I H H 82.05 6.27 21.31 27.96 91.62 50.36 -63.84 -41.61 0.20 0.00 99.80 0.03 0.01 0.11 99.77 0.07 0.00 0.00 0.00 56 R H H 135.24 2.38 22.99 24.13 91.55 49.67 -64.93 -41.55 0.25 0.00 99.75 0.03 0.01 0.16 99.73 0.06 0.00 0.00 0.00 57 M H H 34.95 14.19 18.65 33.32 91.94 49.39 -64.96 -42.03 0.41 0.00 99.59 0.04 0.02 0.28 99.58 0.08 0.00 0.00 0.00 58 V H H 26.99 15.45 18.40 34.18 91.66 49.94 -63.86 -42.41 0.32 0.00 99.68 0.04 0.02 0.20 99.69 0.06 0.00 0.00 0.00 59 N H H 79.43 2.93 23.12 25.15 91.41 50.24 -64.09 -41.21 0.44 0.00 99.56 0.06 0.02 0.26 99.60 0.06 0.00 0.00 0.00 60 T H H 53.20 6.38 21.61 28.67 91.73 49.91 -64.57 -41.71 0.50 0.00 99.50 0.05 0.02 0.33 99.52 0.07 0.00 0.00 0.00 61 R H H 33.85 19.37 17.24 36.04 91.74 50.68 -63.87 -41.67 0.33 0.00 99.67 0.04 0.02 0.21 99.67 0.06 0.00 0.00 0.00 62 R H H 108.28 9.12 21.13 30.49 91.36 51.74 -62.91 -41.20 0.23 0.00 99.77 0.03 0.01 0.14 99.76 0.06 0.00 0.00 0.00 63 K H H 118.62 2.02 24.31 24.67 91.54 50.15 -64.00 -41.93 0.31 0.00 99.69 0.03 0.01 0.21 99.64 0.11 0.00 0.00 0.00 64 L H H 24.74 14.92 19.79 35.20 91.89 49.57 -64.33 -42.50 0.41 0.00 99.59 0.03 0.02 0.29 99.43 0.24 0.00 0.00 0.00 65 L H H 15.24 19.84 17.06 36.94 91.55 50.85 -63.49 -41.34 0.61 0.00 99.39 0.05 0.03 0.43 98.84 0.65 0.00 0.00 0.00 66 D H H 82.30 3.07 23.35 25.69 91.45 51.48 -63.72 -40.49 2.62 0.00 97.38 0.15 0.11 2.20 95.38 2.16 0.00 0.00 0.00 67 Y H H 98.35 5.24 20.99 26.78 91.79 50.26 -64.88 -40.69 6.02 0.01 93.97 0.28 0.32 5.26 91.47 2.66 0.00 0.00 0.00 68 L H H 12.02 19.25 13.26 32.89 92.63 49.41 -71.16 -34.28 13.76 0.08 86.17 2.20 1.75 9.63 82.59 3.72 0.03 0.03 0.05 69 K H H 100.30 11.28 15.04 26.53 94.56 70.06 -63.88 -29.75 33.50 0.15 66.35 3.60 2.52 26.74 61.95 4.97 0.04 0.06 0.11 70 G C H 60.68 1.15 17.18 17.14 95.64 43.10 -70.96 -18.36 51.80 0.14 48.06 3.13 4.89 42.95 43.73 5.11 0.04 0.05 0.11 71 K C T 127.21 3.86 14.36 19.44 102.73 45.22 -93.11 -29.85 69.63 0.23 30.13 6.01 23.87 39.30 25.99 4.49 0.02 0.07 0.25 72 D C C 69.65 7.36 14.30 22.89 115.48 5.54 -137.01 96.21 91.48 0.37 8.16 70.24 7.16 13.81 6.59 1.69 0.00 0.12 0.40 73 L H H 85.60 9.95 12.22 23.34 94.34 -168.43 -63.30 -35.63 4.74 0.01 95.25 1.19 0.64 2.50 94.81 0.85 0.00 0.00 0.01 74 G H H 50.71 1.39 19.11 19.06 92.06 55.00 -63.60 -40.95 2.87 0.00 97.13 0.26 0.22 2.13 96.61 0.78 0.00 0.00 0.00 75 R H H 95.61 7.42 18.30 26.61 92.04 48.92 -66.19 -40.25 0.91 0.00 99.08 0.14 0.07 0.57 98.57 0.64 0.00 0.00 0.00 76 Y H H 14.63 21.49 13.34 34.72 91.59 51.27 -63.22 -43.36 0.29 0.00 99.71 0.05 0.02 0.14 99.65 0.14 0.00 0.00 0.00 77 T H H 65.90 6.28 20.87 27.74 91.41 50.75 -63.33 -41.71 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 78 T H H 74.33 2.24 22.93 23.60 91.82 50.05 -64.09 -42.16 0.17 0.00 99.83 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 79 L H H 13.20 17.48 17.65 35.84 91.93 49.28 -64.13 -43.52 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 80 I H H 17.62 18.60 15.79 34.61 91.71 49.64 -62.99 -43.00 0.36 0.00 99.64 0.04 0.02 0.22 99.60 0.13 0.00 0.00 0.00 81 S H H 75.64 2.05 20.03 21.52 91.85 49.94 -64.27 -40.23 1.09 0.00 98.91 0.07 0.05 0.83 98.63 0.43 0.00 0.00 0.00 82 Q H H 105.45 4.60 18.12 23.60 91.48 51.58 -65.96 -34.32 5.09 0.00 94.91 0.14 0.18 4.75 94.40 0.52 0.00 0.00 0.00 83 L H H 26.25 18.27 12.72 31.02 94.02 47.89 -86.67 -7.20 47.70 0.04 52.26 0.71 1.92 44.14 52.09 1.09 0.01 0.01 0.04 84 G C T 49.11 2.96 20.99 23.79 96.49 -115.69 73.92 21.15 97.61 0.07 2.32 7.28 3.73 86.82 1.71 0.40 0.00 0.03 0.03 85 L C C 35.27 18.43 9.42 26.75 108.09 138.22 -90.41 90.91 94.16 0.87 4.98 75.85 9.54 8.96 2.45 2.27 0.00 0.44 0.50 86 R C C 147.22 4.27 14.89 20.73 116.34 -140.40 -95.39 138.54 92.54 2.98 4.48 83.94 2.44 6.79 2.17 1.56 0.00 1.55 1.56 87 R C C 150.70 5.98 14.11 21.83 110.66 -119.68 -79.63 129.29 99.94 0.05 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.02 0.00