# 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 123.61 4.35 12.41 18.50 116.51 -142.89 -93.24 133.60 99.97 0.03 0.00 99.89 0.08 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 74.53 7.97 9.66 19.02 114.23 -111.79 -70.52 146.42 98.53 1.36 0.11 97.01 0.35 1.41 0.02 0.06 0.00 0.99 0.15 2 Q C E 132.68 2.38 12.62 16.56 121.17 -152.25 -113.28 137.54 50.36 49.27 0.37 43.46 4.90 1.46 0.11 0.33 0.00 45.88 3.86 3 V E E 69.44 11.10 9.10 20.99 121.67 -162.83 -116.91 132.73 37.69 62.20 0.11 35.97 1.45 0.15 0.04 0.07 0.00 60.95 1.37 4 K E E 144.18 2.04 16.24 18.83 117.95 -154.48 -104.17 130.83 38.24 61.63 0.13 37.33 0.88 0.15 0.05 0.07 0.00 59.47 2.05 5 L C C 71.08 12.46 7.63 20.13 117.77 -142.40 -92.83 138.60 82.97 16.88 0.15 82.09 1.29 0.14 0.05 0.08 0.00 15.19 1.15 6 K C C 130.45 2.65 12.10 16.04 118.43 -127.30 -86.50 151.45 95.64 3.92 0.44 92.43 2.71 0.78 0.12 0.26 0.00 2.35 1.34 7 E C T 167.85 0.84 10.80 11.95 107.02 -79.75 -60.47 130.80 99.39 0.26 0.34 0.68 5.91 92.93 0.02 0.25 0.00 0.16 0.05 8 G C T 68.44 0.34 12.39 10.67 96.02 14.43 81.57 0.49 99.57 0.14 0.30 1.27 5.68 92.65 0.02 0.26 0.00 0.10 0.02 9 E C S 67.19 9.12 6.90 17.31 118.47 126.55 -83.69 143.10 98.28 1.65 0.07 42.72 55.67 0.17 0.02 0.03 0.00 0.51 0.86 10 P C C 78.88 2.10 15.49 17.39 113.17 -104.56 -65.69 146.85 97.03 2.80 0.17 96.82 0.54 0.08 0.11 0.02 0.00 0.65 1.78 11 V H H 83.98 8.38 10.61 20.23 92.47 -119.42 -59.39 -38.31 2.43 0.00 97.57 0.62 0.34 1.20 97.51 0.33 0.00 0.00 0.00 12 D H H 103.01 1.80 15.82 17.54 92.01 54.77 -64.43 -39.46 0.85 0.00 99.15 0.12 0.06 0.52 99.05 0.25 0.00 0.00 0.00 13 V H H 72.95 2.54 16.73 19.29 92.19 48.75 -65.76 -41.06 0.17 0.00 99.83 0.03 0.01 0.09 99.72 0.16 0.00 0.00 0.00 14 A H H 19.06 10.56 13.09 25.79 91.60 51.32 -63.17 -42.68 0.08 0.00 99.92 0.01 0.00 0.04 99.90 0.04 0.00 0.00 0.00 15 I H H 67.72 7.55 16.16 24.86 91.63 49.73 -63.67 -41.76 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 16 R H H 136.19 1.80 19.17 19.87 91.57 50.36 -64.20 -41.57 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 17 R H H 115.68 3.66 18.43 22.50 91.65 49.41 -64.71 -41.61 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 18 F H H 59.42 11.77 15.50 28.16 92.00 49.72 -64.21 -41.79 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 19 K H H 103.24 5.89 17.97 24.67 91.64 50.65 -63.23 -41.14 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 20 R H H 135.03 1.65 20.10 20.08 92.04 49.93 -64.70 -41.69 0.16 0.00 99.84 0.01 0.01 0.09 99.87 0.01 0.00 0.00 0.00 21 S H H 39.48 5.49 16.99 23.93 91.97 49.80 -64.40 -41.61 0.30 0.00 99.70 0.03 0.01 0.19 99.74 0.03 0.00 0.00 0.00 22 C H H 27.25 11.25 12.75 25.61 92.40 49.38 -64.83 -41.60 0.71 0.00 99.29 0.11 0.06 0.41 99.33 0.08 0.00 0.00 0.00 23 E H H 116.95 3.20 15.55 19.73 91.76 50.31 -64.40 -40.88 1.10 0.00 98.90 0.12 0.07 0.76 98.85 0.20 0.00 0.00 0.00 24 K H H 157.96 0.90 16.18 15.72 91.66 51.01 -66.26 -33.31 4.72 0.00 95.28 0.11 0.15 4.39 95.10 0.24 0.00 0.00 0.00 25 A C T 59.04 5.20 12.45 19.30 93.43 51.86 -84.04 -9.86 65.83 0.02 34.15 0.33 1.54 62.69 34.88 0.53 0.00 0.00 0.02 26 G C T 45.08 3.46 15.93 20.27 96.28 -111.66 79.67 12.66 98.43 0.02 1.55 2.69 3.72 91.97 1.48 0.12 0.00 0.01 0.01 27 V H H 50.10 8.32 13.44 23.68 94.88 123.80 -71.08 -35.78 9.73 0.05 90.21 6.62 1.28 1.67 89.89 0.50 0.00 0.01 0.02 28 L H H 66.91 8.53 14.52 24.28 92.66 55.75 -64.02 -41.69 1.77 0.01 98.22 0.45 0.21 0.94 97.72 0.66 0.00 0.00 0.00 29 A H H 56.09 2.68 16.94 19.80 92.08 51.03 -64.52 -40.45 0.79 0.01 99.20 0.20 0.08 0.41 98.66 0.64 0.00 0.00 0.00 30 D H H 75.91 2.99 16.45 19.77 92.53 50.28 -66.04 -40.17 0.71 0.01 99.29 0.15 0.07 0.39 98.83 0.55 0.00 0.00 0.00 31 V H H 51.52 7.11 13.08 22.05 92.54 51.00 -65.31 -41.56 1.30 0.01 98.69 0.22 0.13 0.79 98.36 0.49 0.00 0.00 0.00 32 R H H 127.34 3.39 13.89 18.37 92.52 51.37 -64.95 -39.44 3.96 0.02 96.01 0.69 0.39 2.65 95.38 0.86 0.00 0.01 0.01 33 K H H 129.79 1.92 13.36 15.64 93.26 52.06 -67.16 -37.10 10.68 0.05 89.27 1.62 0.98 7.77 87.78 1.78 0.02 0.02 0.02 34 R H H 144.58 2.92 11.65 15.63 95.50 52.59 -71.51 -34.54 15.63 0.10 84.27 2.42 1.91 11.42 80.52 3.58 0.05 0.04 0.06 35 E H H 136.41 1.85 12.09 14.48 98.18 41.22 -78.72 -29.50 32.11 0.12 67.77 2.35 3.27 26.16 63.35 4.67 0.07 0.05 0.09 36 F C H 132.65 2.89 11.49 15.47 104.16 30.67 -102.36 -10.62 53.77 0.49 45.74 6.77 8.99 37.81 41.29 4.52 0.09 0.20 0.34 37 Y C C 134.39 4.80 9.72 16.32 112.13 57.78 -100.29 103.30 79.21 4.01 16.78 49.73 14.19 14.80 13.12 3.99 0.02 1.90 2.26 38 E C C 106.52 5.01 10.76 17.54 115.12 -148.46 -90.30 134.16 87.71 2.31 9.98 66.83 15.01 4.90 9.15 1.73 0.00 1.05 1.32 39 K C C 128.37 3.12 12.31 16.83 114.07 -114.66 -76.39 141.27 85.59 0.38 14.03 73.82 7.41 2.97 14.34 1.12 0.00 0.15 0.18 40 P C H 79.10 4.71 11.21 17.54 101.67 -102.67 -64.15 -35.04 55.38 0.35 44.28 37.01 4.90 11.58 43.09 3.09 0.00 0.17 0.15 41 T H H 77.21 3.18 12.12 16.35 96.37 57.49 -70.24 -34.62 41.85 0.38 57.78 27.49 4.73 9.10 55.35 2.98 0.00 0.17 0.17 42 Q H H 98.89 2.71 12.77 16.36 93.94 54.70 -66.72 -39.01 12.19 0.13 87.68 7.78 2.30 2.79 85.42 1.61 0.00 0.06 0.04 43 E H H 103.12 2.57 13.25 16.60 92.74 52.14 -65.45 -40.73 4.03 0.04 95.93 2.12 0.62 1.31 95.17 0.74 0.00 0.02 0.01 44 R H H 131.79 2.12 13.69 16.29 92.26 50.45 -65.30 -40.37 2.37 0.02 97.61 1.13 0.32 0.88 97.17 0.48 0.00 0.01 0.00 45 K H H 119.13 2.10 14.11 16.53 92.06 50.46 -64.92 -40.51 1.34 0.01 98.65 0.59 0.16 0.52 98.48 0.25 0.00 0.00 0.00 46 R H H 142.14 1.75 14.79 16.49 92.03 50.08 -65.08 -40.68 0.79 0.00 99.21 0.28 0.08 0.33 99.16 0.14 0.00 0.00 0.00 47 K H H 123.10 1.80 15.42 17.03 91.91 49.81 -64.82 -40.90 0.62 0.00 99.38 0.17 0.06 0.29 99.37 0.11 0.00 0.00 0.00 48 K H H 119.07 1.99 15.88 17.72 92.05 49.79 -64.70 -40.90 0.57 0.00 99.42 0.13 0.05 0.29 99.44 0.09 0.00 0.00 0.00 49 A H H 53.40 2.50 15.52 18.37 91.77 50.52 -63.91 -41.71 0.54 0.00 99.45 0.11 0.04 0.28 99.50 0.07 0.00 0.00 0.00 50 A H H 52.43 2.33 15.88 18.36 91.69 50.44 -63.87 -41.15 0.59 0.00 99.41 0.11 0.04 0.30 99.48 0.07 0.00 0.00 0.00 51 A H H 51.05 2.66 15.21 18.51 91.79 50.82 -64.06 -41.43 0.67 0.00 99.33 0.13 0.05 0.34 99.41 0.07 0.00 0.00 0.00 52 V H H 79.49 2.31 15.30 17.81 91.85 49.95 -64.24 -41.55 0.58 0.00 99.42 0.12 0.05 0.28 99.48 0.07 0.00 0.00 0.00 53 K H H 119.72 1.63 15.77 16.79 92.01 50.09 -64.52 -41.03 0.54 0.00 99.46 0.11 0.04 0.27 99.51 0.07 0.00 0.00 0.00 54 R H H 134.82 1.66 15.41 16.60 92.04 49.91 -64.72 -41.05 0.62 0.00 99.38 0.11 0.04 0.33 99.42 0.09 0.00 0.00 0.00 55 Y H H 125.06 2.26 14.53 17.14 91.98 49.84 -64.96 -41.23 0.65 0.00 99.35 0.11 0.05 0.37 99.37 0.11 0.00 0.00 0.00 56 Q H H 103.12 1.91 14.78 16.69 91.85 50.60 -64.48 -40.66 0.66 0.00 99.34 0.12 0.06 0.36 99.34 0.12 0.00 0.00 0.00 57 K H H 120.48 1.54 15.00 15.98 91.98 50.22 -65.07 -40.57 0.90 0.00 99.10 0.17 0.07 0.51 99.10 0.15 0.00 0.00 0.00 58 K H H 115.14 1.87 14.62 16.43 92.28 50.45 -64.99 -40.61 1.24 0.00 98.76 0.24 0.11 0.70 98.74 0.21 0.00 0.00 0.00 59 L H H 89.10 2.19 13.84 16.44 92.27 50.36 -64.90 -40.81 1.61 0.00 98.38 0.38 0.17 0.88 98.25 0.32 0.00 0.00 0.00 60 A H H 61.18 1.94 13.80 15.95 92.40 51.03 -64.67 -40.28 2.96 0.01 97.03 0.75 0.31 1.62 96.80 0.51 0.00 0.00 0.00 61 R H H 142.10 1.55 13.57 14.94 93.00 50.14 -66.80 -39.11 5.57 0.02 94.41 1.58 0.70 3.04 93.74 0.91 0.00 0.01 0.01 62 E H H 110.28 2.05 12.66 15.23 93.50 51.25 -66.91 -38.62 8.97 0.05 90.98 2.98 1.29 4.50 89.82 1.38 0.00 0.02 0.02 63 S H H 67.53 1.99 11.98 14.56 94.61 51.89 -68.30 -36.76 17.98 0.10 81.91 6.54 2.58 8.76 79.91 2.09 0.01 0.04 0.06 64 V H H 97.84 1.87 10.90 13.48 95.63 54.11 -70.21 -32.76 26.74 0.23 73.03 12.92 4.46 9.73 69.67 2.99 0.01 0.10 0.12 65 R H H 156.08 1.79 9.81 12.58 97.17 58.85 -73.06 -28.06 34.43 0.39 65.18 18.87 5.38 10.51 61.25 3.63 0.01 0.17 0.19 66 T H H 102.52 1.48 8.99 11.32 100.42 57.45 -82.08 -11.56 45.21 0.59 54.21 25.97 7.61 12.05 49.47 4.35 0.01 0.25 0.28 67 T C C 100.45 1.80 8.20 11.26 105.53 75.13 -86.29 40.16 59.68 1.00 39.32 37.41 9.54 12.31 34.83 4.98 0.01 0.45 0.46 68 R C C 172.33 1.58 7.38 10.42 110.08 109.89 -86.55 120.99 73.98 1.92 24.10 51.70 9.70 11.77 19.66 5.30 0.00 1.02 0.85 69 L C C 133.59 1.43 7.11 9.98 108.18 -142.41 -87.11 98.42 86.19 1.57 12.23 76.53 1.76 8.44 9.38 2.28 0.00 0.84 0.78 70 Y C C 161.45 3.10 9.17 14.07 112.17 -157.24 -94.50 123.15 99.93 0.04 0.03 99.83 0.07 0.06 0.01 0.00 0.00 0.02 0.01