# 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 137.83 2.62 10.98 15.14 114.02 -146.42 -96.29 126.44 99.94 0.05 0.00 99.90 0.05 0.01 0.00 0.00 0.00 0.02 0.00 1 V C C 101.50 5.03 7.31 14.11 116.67 -152.33 -97.87 135.50 92.64 6.52 0.85 91.34 0.62 1.48 0.28 0.33 0.00 4.45 1.49 2 N C C 122.70 1.68 10.34 13.18 115.60 -150.53 -100.01 127.67 86.81 11.82 1.37 73.29 9.16 3.96 0.35 1.06 0.00 10.10 2.08 3 V C C 99.68 5.81 7.89 15.59 118.51 -157.23 -105.21 132.62 80.21 18.16 1.63 68.17 8.51 2.69 0.44 1.21 0.00 16.81 2.16 4 L C C 106.76 4.33 11.57 17.70 120.14 -167.85 -110.37 136.58 72.93 25.74 1.34 59.87 9.54 2.60 0.39 0.96 0.00 24.59 2.05 5 K C C 140.34 3.80 13.09 18.96 120.50 -145.16 -109.25 140.28 69.40 29.80 0.80 49.21 16.34 3.11 0.17 0.63 0.00 29.46 1.07 6 G E E 29.95 8.59 13.58 23.66 139.22 145.96 -148.74 172.20 42.30 57.39 0.31 30.28 10.34 1.48 0.06 0.26 0.00 57.00 0.59 7 V E E 66.78 8.85 16.20 26.58 125.16 -93.41 -122.13 139.77 9.31 90.65 0.04 8.39 0.73 0.06 0.01 0.02 0.00 90.38 0.39 8 L E E 82.65 9.26 17.01 27.30 115.38 -144.28 -98.52 126.17 2.72 97.27 0.00 2.53 0.12 0.01 0.00 0.00 0.00 97.23 0.11 9 I E E 36.56 16.87 13.54 30.76 121.63 -169.80 -116.42 134.23 2.22 97.78 0.00 2.19 0.06 0.00 0.00 0.00 0.00 97.64 0.11 10 E E E 124.94 3.86 20.83 25.73 117.15 -156.54 -107.44 127.87 8.79 91.20 0.01 7.79 0.72 0.04 0.00 0.01 0.00 91.04 0.39 11 C C C 32.00 15.28 11.43 26.98 138.68 149.56 -149.82 163.92 67.07 32.91 0.02 56.17 9.51 0.11 0.00 0.01 0.00 33.31 0.88 12 D C C 79.74 3.77 18.05 21.93 114.26 -90.81 -71.28 145.16 99.79 0.20 0.01 99.39 0.47 0.01 0.01 0.00 0.00 0.09 0.02 13 P H H 87.45 5.61 13.99 21.32 91.98 -113.71 -58.36 -36.65 2.43 0.00 97.57 0.16 0.14 1.89 97.05 0.75 0.00 0.00 0.00 14 A H H 64.51 2.74 17.75 20.41 91.46 53.43 -64.07 -39.63 1.58 0.00 98.42 0.09 0.07 1.30 97.66 0.88 0.00 0.00 0.00 15 M H H 49.52 12.13 16.15 29.04 92.41 48.40 -66.58 -39.80 0.33 0.00 99.67 0.04 0.02 0.20 99.25 0.48 0.00 0.00 0.00 16 K H H 53.84 15.88 15.38 31.00 91.42 54.18 -61.92 -42.19 0.05 0.00 99.95 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 17 Q H H 97.31 2.97 21.77 24.19 91.34 51.45 -63.81 -41.32 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 18 F H H 85.08 6.25 21.04 27.89 91.53 50.48 -63.60 -42.93 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 19 L H H 12.68 20.59 16.70 37.26 91.62 49.62 -64.20 -42.88 0.01 0.00 99.99 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 20 L H H 59.75 10.44 19.17 30.27 91.45 51.01 -62.83 -42.15 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 21 Y H H 131.52 1.97 22.11 22.37 91.71 49.44 -64.11 -42.20 0.19 0.00 99.81 0.01 0.00 0.16 99.80 0.03 0.00 0.00 0.00 22 L H H 39.29 10.57 17.14 29.17 92.09 49.77 -64.95 -41.38 0.58 0.00 99.42 0.02 0.03 0.49 99.30 0.16 0.00 0.00 0.00 23 D H H 28.25 15.22 12.96 28.63 92.13 50.78 -66.54 -34.92 2.82 0.00 97.18 0.15 0.15 2.39 96.74 0.56 0.00 0.00 0.00 24 E H H 127.66 2.92 15.97 19.73 92.31 56.21 -69.21 -25.76 12.97 0.02 87.01 0.50 0.64 11.77 86.09 0.96 0.01 0.01 0.01 25 S H H 81.76 1.90 14.53 16.38 95.76 53.14 -85.23 -9.82 34.96 0.14 64.90 2.02 4.12 28.43 63.96 1.26 0.07 0.04 0.11 26 N C S 62.67 10.77 8.18 19.43 114.59 90.98 -92.82 125.77 90.05 1.13 8.82 29.43 48.98 11.23 6.96 2.02 0.00 0.33 1.04 27 A C T 93.92 1.27 12.82 14.44 93.84 -137.87 -65.14 -23.92 85.77 0.44 13.79 11.40 16.01 58.06 2.33 11.67 0.00 0.22 0.30 28 L C T 102.77 4.61 11.10 17.31 96.02 54.14 -84.37 -4.03 86.47 0.43 13.10 8.60 15.83 61.37 1.72 11.95 0.00 0.21 0.31 29 G C C 48.24 4.24 14.05 19.44 104.00 -116.66 80.23 11.85 89.02 0.99 9.99 37.59 25.20 25.00 1.03 10.14 0.00 0.44 0.60 30 K C C 104.62 7.86 14.65 23.72 118.09 130.68 -96.07 137.18 95.38 1.55 3.07 66.73 21.01 6.95 0.45 3.27 0.00 0.81 0.77 31 K C C 107.60 9.54 18.37 28.24 111.66 -143.67 -91.22 128.02 93.72 4.15 2.13 66.01 23.26 4.42 0.26 2.16 0.00 3.15 0.73 32 F C C 32.90 18.71 17.23 35.21 106.64 76.71 -103.13 5.78 62.11 36.19 1.70 49.49 10.64 1.91 0.26 1.39 0.00 35.06 1.26 33 I E E 34.28 17.74 16.50 34.15 111.10 120.37 -89.88 116.84 11.43 88.28 0.29 10.85 0.65 0.12 0.12 0.15 0.00 87.28 0.84 34 I E E 73.88 9.57 19.05 29.40 101.11 175.55 -96.28 -32.24 4.59 95.33 0.08 3.65 0.68 0.07 0.02 0.04 0.00 95.46 0.08 35 Q E E 94.49 4.41 21.38 26.43 132.53 3.11 -145.26 141.93 0.75 99.22 0.03 0.65 0.07 0.01 0.01 0.01 0.00 99.21 0.05 36 D E E 64.87 12.89 12.25 25.48 110.22 -141.63 -96.90 114.48 4.71 95.25 0.04 4.62 0.16 0.02 0.02 0.02 0.00 95.00 0.16 37 I C E 88.20 5.79 14.57 22.09 98.32 177.00 -87.55 -32.50 61.21 38.65 0.13 32.42 24.30 3.67 0.01 0.14 0.00 38.97 0.49 38 D C S 71.81 2.94 17.49 20.50 136.37 -14.44 -154.40 174.44 80.92 18.89 0.19 7.47 59.96 12.81 0.01 0.20 0.00 18.75 0.79 39 D C S 115.99 3.17 14.82 19.54 92.38 -85.59 -67.49 -19.45 99.75 0.13 0.12 0.62 60.65 38.53 0.00 0.10 0.00 0.08 0.02 40 T C S 67.45 8.58 15.00 24.52 103.29 33.30 -112.92 -6.74 99.35 0.57 0.08 0.90 59.73 38.80 0.00 0.07 0.00 0.46 0.04 41 H E E 56.49 11.00 17.63 29.99 128.17 62.81 -128.88 139.09 14.31 85.69 0.00 11.96 1.94 0.04 0.00 0.00 0.00 85.61 0.45 42 V E E 11.87 19.66 16.68 37.14 125.95 -170.63 -125.73 138.35 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.76 0.02 43 F E E 47.85 10.95 24.60 36.64 116.73 -146.19 -101.66 129.41 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 44 V E E 9.23 21.80 16.24 38.41 129.57 -173.94 -127.51 145.01 0.98 99.02 0.00 0.96 0.01 0.00 0.00 0.00 0.00 98.90 0.13 45 I C C 48.62 8.77 19.84 30.03 113.44 -109.60 -71.01 141.00 55.41 44.53 0.05 55.15 0.39 0.03 0.02 0.02 0.00 44.08 0.31 46 A H G 55.24 9.65 14.83 25.70 91.75 -119.63 -58.24 -35.49 14.31 0.27 85.42 1.07 1.35 11.55 13.10 72.65 0.00 0.24 0.04 47 E H G 143.46 1.28 19.35 19.49 90.33 61.73 -68.31 -21.81 15.99 0.08 83.92 0.68 0.97 14.42 13.93 69.91 0.00 0.06 0.03 48 L H G 38.17 14.10 13.40 28.34 96.67 50.61 -95.69 -2.63 12.65 0.10 87.26 1.77 1.05 9.16 20.52 67.40 0.00 0.06 0.04 49 V H H 36.75 16.18 13.00 29.37 92.42 94.25 -59.67 -43.20 2.11 0.01 97.89 0.66 0.23 1.00 97.15 0.95 0.00 0.00 0.00 50 N H H 106.43 1.43 20.56 20.28 91.46 51.38 -64.45 -38.76 1.47 0.01 98.52 0.25 0.10 0.96 97.90 0.78 0.00 0.00 0.00 51 V H H 64.17 4.77 18.89 24.44 91.63 50.59 -65.13 -41.70 0.59 0.01 99.40 0.13 0.05 0.33 98.92 0.56 0.00 0.00 0.00 52 L H H 20.51 18.07 14.00 32.46 91.88 50.49 -64.31 -42.64 0.32 0.00 99.68 0.09 0.02 0.15 99.58 0.16 0.00 0.00 0.00 53 Q H H 90.72 6.80 18.47 25.99 91.64 51.13 -63.29 -41.04 0.35 0.00 99.65 0.07 0.02 0.19 99.65 0.07 0.00 0.00 0.00 54 E H H 116.59 1.48 19.79 19.43 92.03 50.10 -64.89 -41.43 0.44 0.00 99.56 0.06 0.02 0.25 99.60 0.06 0.00 0.00 0.00 55 R H H 100.10 6.78 17.46 25.22 92.11 49.23 -65.53 -40.85 0.65 0.00 99.35 0.11 0.04 0.37 99.39 0.09 0.00 0.00 0.00 56 V H H 38.74 11.73 14.29 27.17 91.96 50.39 -64.30 -41.41 0.60 0.00 99.40 0.11 0.04 0.33 99.35 0.16 0.00 0.00 0.00 57 G H H 34.81 3.06 17.03 20.53 91.58 51.45 -62.70 -41.54 1.19 0.00 98.81 0.20 0.08 0.74 98.63 0.36 0.00 0.00 0.00 58 E H H 110.73 2.02 16.78 18.39 92.23 49.75 -65.55 -39.75 2.82 0.01 97.17 0.37 0.19 2.01 96.67 0.75 0.00 0.00 0.00 59 L H H 68.93 7.17 13.42 22.03 92.47 50.53 -65.67 -39.42 5.10 0.02 94.88 0.91 0.52 3.43 94.08 1.04 0.00 0.01 0.01 60 M H H 103.63 4.57 13.24 18.97 92.80 52.32 -67.58 -33.39 18.93 0.18 80.89 4.84 2.54 11.57 79.16 1.69 0.02 0.07 0.10 61 D H H 99.94 1.98 13.03 15.46 95.92 56.76 -75.13 -21.81 40.60 0.46 58.94 17.09 4.65 19.13 55.63 3.04 0.01 0.20 0.25 62 Q H H 114.72 3.19 11.29 15.85 97.53 69.66 -73.00 -23.65 48.37 0.61 51.02 16.25 8.12 24.88 45.19 4.94 0.03 0.26 0.33 63 N C H 101.62 3.59 10.59 15.63 100.15 57.04 -83.03 0.65 59.25 1.11 39.64 26.63 9.23 24.25 33.33 5.44 0.02 0.48 0.62 64 A C C 70.78 3.52 10.16 15.20 100.69 79.00 -78.74 -17.89 62.86 2.28 34.86 36.11 15.32 12.24 28.41 5.75 0.03 0.99 1.14 65 F C C 134.21 3.07 9.61 14.18 103.70 68.16 -84.22 6.82 65.92 2.71 31.37 39.68 14.89 11.63 24.95 6.32 0.02 1.38 1.14 66 S C C 71.83 3.00 9.88 14.31 104.44 83.10 -79.42 48.51 69.96 2.70 27.34 53.23 7.43 8.61 21.90 6.18 0.00 1.55 1.10 67 L C C 117.02 2.88 8.48 12.96 99.53 108.11 -76.26 -11.13 63.65 1.77 34.58 37.12 12.40 14.26 23.66 10.82 0.01 0.91 0.82 68 T C C 103.43 1.87 8.27 11.40 102.97 66.07 -87.64 16.61 66.95 1.72 31.33 39.40 10.19 17.51 21.02 10.15 0.01 0.91 0.80 69 Q C C 129.31 2.42 7.28 11.42 107.79 108.99 -86.39 92.13 79.30 1.00 19.70 66.69 2.48 11.72 12.76 5.28 0.00 0.53 0.54 70 K C C 156.00 1.97 10.11 13.55 108.63 -150.33 -85.44 107.66 99.91 0.03 0.06 99.74 0.10 0.10 0.03 0.00 0.00 0.01 0.00