# 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 71.03 11.35 13.67 25.68 119.58 -155.65 -96.77 140.97 99.96 0.03 0.01 99.91 0.06 0.02 0.00 0.00 0.00 0.01 0.00 1 K C C 110.64 4.13 18.03 22.44 113.68 -119.53 -80.48 143.45 91.18 2.21 6.61 88.76 0.99 1.21 6.33 0.38 0.00 0.49 1.84 2 A H H 33.79 15.70 10.64 26.01 93.77 -119.01 -60.71 -37.89 8.76 0.04 91.20 2.87 1.73 4.32 87.83 3.19 0.01 0.02 0.03 3 N H H 101.05 2.55 16.36 19.32 92.31 55.00 -65.06 -37.18 4.81 0.03 95.17 1.01 0.70 2.93 90.67 4.65 0.01 0.01 0.01 4 E H H 98.04 3.30 17.27 20.95 92.40 51.28 -66.17 -38.89 2.71 0.02 97.26 0.64 0.35 1.58 92.21 5.20 0.00 0.01 0.01 5 I H H 18.85 19.20 11.72 30.63 92.58 51.57 -66.08 -39.19 2.59 0.01 97.39 0.46 0.29 1.61 92.03 5.59 0.00 0.01 0.00 6 R H H 105.55 11.32 15.13 26.84 91.53 57.18 -66.63 -27.98 19.44 0.02 80.54 0.59 0.73 18.34 75.76 4.53 0.01 0.01 0.02 7 D C T 119.04 1.03 18.78 18.07 94.79 52.07 -88.41 -5.55 56.91 0.03 43.06 1.06 1.83 54.44 39.05 3.57 0.01 0.01 0.03 8 L C S 40.00 14.40 8.66 23.37 119.26 106.18 -77.11 147.11 98.85 0.20 0.95 40.05 57.87 0.83 0.88 0.11 0.00 0.04 0.23 9 T C C 74.14 2.13 20.17 20.85 119.85 -114.65 -75.96 161.15 98.89 0.72 0.39 98.33 0.53 0.11 0.31 0.02 0.00 0.11 0.60 10 T H H 64.49 12.78 12.25 25.26 92.26 -105.89 -58.19 -38.52 1.73 0.00 98.27 0.43 0.31 0.84 98.13 0.30 0.00 0.00 0.00 11 A H H 69.94 1.76 18.65 19.39 91.87 53.04 -63.93 -40.60 0.75 0.00 99.25 0.08 0.06 0.52 99.01 0.33 0.00 0.00 0.00 12 E H H 89.42 3.69 18.75 22.81 91.73 49.38 -65.23 -40.44 0.37 0.00 99.63 0.06 0.02 0.23 99.35 0.34 0.00 0.00 0.00 13 I H H 11.56 19.30 12.85 32.62 91.72 50.09 -63.39 -43.07 0.14 0.00 99.86 0.02 0.01 0.07 99.82 0.07 0.00 0.00 0.00 14 E H H 84.13 8.80 18.74 28.24 91.14 50.93 -62.81 -41.45 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 15 Q H H 110.17 1.45 22.38 21.31 91.93 49.64 -64.75 -41.44 0.29 0.00 99.71 0.02 0.01 0.19 99.73 0.04 0.00 0.00 0.00 16 K H H 85.82 8.18 20.17 28.88 91.88 48.97 -65.66 -40.60 0.44 0.00 99.56 0.05 0.02 0.27 99.60 0.07 0.00 0.00 0.00 17 V H H 13.54 19.33 15.05 34.63 91.88 49.98 -64.20 -42.12 0.61 0.00 99.39 0.07 0.03 0.40 99.41 0.09 0.00 0.00 0.00 18 K H H 110.73 3.49 22.04 25.47 91.52 51.10 -63.43 -41.04 0.96 0.00 99.04 0.15 0.07 0.60 99.06 0.11 0.00 0.00 0.00 19 S H H 56.13 2.45 22.01 23.25 91.76 50.26 -64.31 -41.18 2.35 0.00 97.65 0.24 0.13 1.66 97.77 0.19 0.00 0.00 0.00 20 L H H 22.12 15.51 16.39 32.69 91.80 50.30 -64.77 -41.67 1.96 0.00 98.03 0.36 0.14 1.20 98.11 0.19 0.00 0.00 0.00 21 K H H 85.66 11.47 18.69 30.18 91.47 52.71 -62.33 -41.73 0.62 0.00 99.38 0.14 0.04 0.29 99.46 0.07 0.00 0.00 0.00 22 E H H 113.96 1.56 22.71 21.91 91.82 50.17 -64.11 -41.48 0.25 0.00 99.75 0.03 0.01 0.13 99.77 0.05 0.00 0.00 0.00 23 E H H 81.32 6.28 20.20 27.18 91.79 49.57 -64.91 -41.19 0.20 0.00 99.80 0.02 0.01 0.12 99.78 0.07 0.00 0.00 0.00 24 L H H 23.60 16.97 15.16 32.45 91.80 50.48 -64.09 -41.72 0.23 0.00 99.77 0.02 0.01 0.15 99.74 0.09 0.00 0.00 0.00 25 F H H 104.01 3.76 20.83 24.63 91.66 50.42 -63.61 -41.44 0.33 0.00 99.67 0.02 0.01 0.24 99.64 0.08 0.00 0.00 0.00 26 N H H 88.28 2.22 21.51 22.37 91.99 49.83 -64.84 -40.63 1.26 0.00 98.74 0.05 0.04 1.03 98.74 0.14 0.00 0.00 0.00 27 L H H 27.33 13.63 14.83 29.61 92.10 51.56 -64.41 -40.80 1.12 0.00 98.88 0.09 0.06 0.77 98.69 0.39 0.00 0.00 0.00 28 R H H 107.20 8.59 17.26 26.66 91.77 52.75 -62.99 -41.40 0.88 0.00 99.12 0.13 0.06 0.53 98.67 0.59 0.00 0.00 0.00 29 F H H 126.29 1.39 19.07 18.51 91.99 49.61 -64.48 -40.89 1.28 0.00 98.71 0.15 0.10 0.90 98.13 0.71 0.00 0.00 0.00 30 Q H H 72.09 4.83 15.22 21.50 92.59 49.61 -65.84 -40.26 2.19 0.02 97.79 0.43 0.25 1.39 97.10 0.81 0.01 0.01 0.01 31 L H H 52.24 11.80 11.29 23.85 92.41 52.14 -65.06 -40.13 3.28 0.02 96.70 0.55 0.32 2.30 94.79 2.01 0.01 0.01 0.01 32 A H H 82.20 2.02 13.79 16.60 91.58 53.18 -66.29 -29.88 9.60 0.02 90.37 0.51 0.55 8.56 88.68 1.66 0.02 0.01 0.01 33 T C T 99.20 1.33 13.09 14.10 93.96 50.27 -87.02 -3.06 65.35 0.05 34.60 0.71 2.56 61.31 33.56 1.78 0.01 0.02 0.06 34 G C T 56.48 2.46 11.74 15.83 95.43 -110.03 79.78 9.39 99.16 0.03 0.81 3.29 7.35 88.68 0.42 0.22 0.00 0.02 0.02 35 Q C C 122.12 2.25 13.33 16.51 96.97 123.04 -83.17 -14.11 98.97 0.20 0.83 68.25 28.49 2.20 0.28 0.53 0.00 0.07 0.17 36 L C C 49.29 14.40 7.44 21.20 116.45 64.76 -107.40 122.79 97.60 0.52 1.88 80.65 13.60 3.20 0.60 1.25 0.00 0.16 0.55 37 E C S 153.16 1.36 15.55 16.85 99.23 -168.59 -85.10 -24.36 99.06 0.13 0.81 45.44 51.31 2.38 0.39 0.33 0.00 0.04 0.11 38 N C C 81.09 4.91 13.33 19.85 109.24 53.86 -111.91 94.51 98.63 0.21 1.16 77.79 18.96 1.84 0.77 0.34 0.00 0.05 0.24 39 T H H 73.96 7.96 11.65 21.38 93.62 -171.91 -64.63 -32.79 14.57 0.05 85.38 6.64 2.35 5.56 82.57 2.82 0.00 0.02 0.03 40 A H H 70.80 1.60 17.24 17.95 91.41 58.35 -63.87 -39.44 5.67 0.01 94.31 1.08 0.61 3.55 92.21 2.54 0.00 0.01 0.01 41 R H H 104.98 6.02 17.04 24.11 92.21 50.57 -66.06 -39.96 2.17 0.01 97.82 0.64 0.23 1.14 95.76 2.23 0.00 0.00 0.00 42 I H H 25.14 16.54 13.18 30.11 91.98 51.48 -63.58 -42.24 0.54 0.00 99.46 0.16 0.05 0.25 99.17 0.38 0.00 0.00 0.00 43 R H H 128.27 3.07 21.13 23.99 91.65 51.11 -63.86 -41.29 0.32 0.00 99.68 0.08 0.02 0.16 99.62 0.13 0.00 0.00 0.00 44 E H H 101.73 2.84 21.76 23.85 91.94 49.84 -64.71 -41.54 0.29 0.00 99.71 0.04 0.02 0.16 99.69 0.08 0.00 0.00 0.00 45 V H H 20.66 16.39 16.42 33.29 91.91 49.99 -64.51 -42.16 0.29 0.00 99.71 0.04 0.02 0.16 99.72 0.06 0.00 0.00 0.00 46 R H H 106.31 9.94 20.23 30.36 91.68 51.32 -63.10 -41.65 0.26 0.00 99.74 0.04 0.01 0.14 99.78 0.03 0.00 0.00 0.00 47 K H H 119.53 1.95 23.75 23.99 91.80 49.47 -64.68 -41.24 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 48 A H H 29.13 9.82 20.16 31.17 91.84 49.56 -64.63 -41.49 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 49 I H H 22.66 17.63 17.78 35.52 91.62 50.09 -63.44 -42.55 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 50 A H H 51.92 3.81 22.80 26.37 91.11 51.05 -62.76 -41.88 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 51 R H H 125.37 3.15 23.53 26.21 91.58 49.73 -64.46 -41.69 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 52 M H H 24.79 17.54 17.53 35.32 91.66 50.31 -64.43 -42.07 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 53 K H H 88.37 10.43 20.95 31.39 91.44 51.10 -63.01 -41.08 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 54 T H H 69.80 2.33 22.88 23.64 91.73 49.95 -63.73 -41.91 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 55 V H H 39.14 8.49 19.63 29.54 91.79 49.33 -64.37 -42.76 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 56 I H H 27.09 15.28 16.14 32.18 91.68 49.66 -63.66 -42.53 0.21 0.00 99.79 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 57 R H H 125.19 3.61 19.63 23.61 91.77 50.23 -63.90 -41.20 0.45 0.00 99.55 0.07 0.02 0.26 99.57 0.09 0.00 0.00 0.00 58 E H H 106.55 2.32 18.91 20.58 92.05 49.84 -65.03 -40.74 0.84 0.00 99.16 0.11 0.06 0.51 99.15 0.17 0.00 0.00 0.00 59 R H H 97.20 7.54 15.50 24.17 92.61 48.78 -66.63 -39.88 1.98 0.01 98.01 0.38 0.18 1.17 97.93 0.34 0.00 0.00 0.00 60 E H H 84.33 6.76 13.65 21.88 92.50 51.06 -65.80 -39.58 5.24 0.02 94.74 1.20 0.53 3.02 94.59 0.64 0.00 0.01 0.01 61 I H H 109.70 1.76 13.75 15.54 92.89 50.66 -67.05 -36.93 12.90 0.06 87.04 3.28 1.58 7.20 86.87 1.01 0.01 0.02 0.03 62 A H H 77.67 1.96 11.70 14.40 94.06 53.36 -71.07 -26.92 30.51 0.16 69.33 8.89 3.48 16.83 69.49 1.14 0.01 0.05 0.10 63 A C H 68.84 4.53 8.90 15.06 98.09 58.77 -79.89 -14.47 59.36 0.19 40.45 32.71 1.53 21.57 43.05 0.95 0.00 0.06 0.13 64 N C C 122.82 2.18 12.58 15.89 101.58 70.60 -66.40 30.80 99.96 0.01 0.03 99.81 0.06 0.10 0.02 0.00 0.00 0.00 0.00