# 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 A C C 64.09 7.52 12.87 21.64 123.40 -170.41 -111.40 138.42 99.80 0.20 0.00 99.82 0.04 0.01 0.00 0.00 0.00 0.13 0.01 1 F C C 115.21 6.56 12.06 20.31 121.75 -158.90 -114.56 134.53 50.03 49.85 0.13 50.04 0.33 0.11 0.05 0.04 0.00 48.50 0.94 2 V E E 96.77 4.65 12.93 19.50 120.31 -160.66 -112.39 131.77 31.56 68.26 0.18 30.61 0.77 0.15 0.09 0.07 0.00 67.40 0.90 3 A E E 45.07 10.64 10.51 22.34 123.32 -170.94 -118.72 136.95 39.02 60.74 0.24 37.44 1.07 0.18 0.11 0.08 0.00 60.54 0.58 4 E C C 126.71 2.76 16.72 20.13 114.72 -142.27 -97.20 126.62 53.19 46.41 0.40 48.89 2.48 0.45 0.14 0.18 0.00 47.17 0.69 5 V C C 55.51 12.87 8.18 21.25 121.15 -165.44 -114.15 133.77 76.78 22.15 1.07 71.28 3.86 0.81 0.53 0.47 0.00 21.58 1.46 6 R C C 153.44 2.63 12.46 16.49 117.30 -168.79 -119.24 125.17 67.63 24.37 8.01 47.49 10.62 10.31 2.55 5.53 0.04 17.87 5.59 7 D C T 132.91 0.66 13.56 13.18 93.75 -12.02 51.76 41.44 91.50 0.81 7.70 3.51 11.11 76.46 1.34 6.69 0.00 0.51 0.37 8 G C T 49.34 5.33 11.67 18.51 95.03 -53.73 77.95 5.08 91.48 0.94 7.59 6.77 14.36 69.89 1.43 6.56 0.00 0.60 0.39 9 N C C 80.80 4.14 15.54 20.93 106.30 127.95 -98.60 90.92 72.41 22.40 5.19 64.57 5.00 1.80 3.47 1.94 0.00 9.61 13.61 10 V H H 52.39 13.72 10.84 24.93 94.93 168.01 -67.08 -37.14 6.63 0.14 93.23 4.47 0.75 1.73 92.30 0.64 0.00 0.07 0.04 11 D H H 104.76 1.98 18.30 20.08 91.80 54.97 -63.95 -40.51 1.51 0.02 98.47 0.40 0.15 0.84 98.14 0.46 0.00 0.01 0.00 12 A H H 57.39 2.27 19.05 20.57 92.02 49.09 -65.14 -40.64 0.43 0.00 99.56 0.10 0.03 0.23 99.30 0.34 0.00 0.00 0.00 13 A H H 15.52 12.41 13.95 28.16 91.58 51.45 -63.78 -42.57 0.24 0.00 99.76 0.05 0.01 0.11 99.68 0.14 0.00 0.00 0.00 14 L H H 60.44 9.68 17.00 27.73 91.87 50.35 -63.40 -41.23 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 15 A H H 59.44 2.02 20.25 20.91 91.42 50.52 -63.62 -41.50 0.14 0.00 99.86 0.01 0.00 0.07 99.88 0.02 0.00 0.00 0.00 16 Q H H 89.42 3.88 19.33 23.47 92.15 49.55 -65.32 -41.07 0.17 0.00 99.83 0.02 0.01 0.10 99.86 0.01 0.00 0.00 0.00 17 V H H 28.92 13.46 14.48 29.03 91.69 50.21 -64.01 -42.00 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.01 0.00 0.00 0.00 18 K H H 101.01 4.76 17.89 23.52 91.53 51.29 -63.22 -40.85 0.23 0.00 99.77 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 19 K H H 115.05 1.63 18.84 18.94 91.85 50.15 -64.64 -41.39 0.44 0.00 99.56 0.04 0.02 0.26 99.63 0.03 0.00 0.00 0.00 20 Y H H 93.80 5.80 15.47 22.78 92.49 49.17 -65.18 -41.26 0.75 0.00 99.24 0.09 0.06 0.47 99.31 0.07 0.00 0.00 0.00 21 R H H 82.20 9.53 12.36 23.14 92.31 50.31 -65.28 -40.37 2.06 0.01 97.93 0.44 0.24 1.19 97.90 0.21 0.00 0.00 0.00 22 K H H 141.33 1.71 14.84 16.70 92.51 49.11 -66.38 -38.81 3.80 0.02 96.18 0.61 0.38 2.59 95.96 0.44 0.01 0.01 0.01 23 T H H 101.97 1.21 14.42 14.91 94.27 48.14 -72.48 -32.72 10.40 0.02 89.57 0.60 0.79 8.78 89.26 0.53 0.01 0.01 0.01 24 E C T 106.52 4.12 12.25 17.72 96.20 44.99 -86.92 -7.63 68.91 0.05 31.04 1.29 4.49 60.29 32.97 0.89 0.01 0.01 0.05 25 G C T 41.95 3.73 14.34 19.38 98.31 -110.87 80.09 7.00 95.23 0.07 4.69 12.48 8.30 73.86 4.70 0.57 0.00 0.03 0.05 26 V H H 57.57 7.14 12.43 21.61 95.45 122.32 -68.36 -38.41 9.44 0.03 90.53 6.66 1.11 1.63 89.75 0.84 0.00 0.01 0.01 27 N H H 76.78 5.57 14.70 21.53 92.92 53.29 -64.84 -40.23 3.07 0.02 96.90 1.08 0.40 1.50 95.65 1.36 0.00 0.01 0.00 28 D H H 87.60 2.19 16.35 18.20 92.96 50.23 -66.09 -39.24 1.56 0.01 98.43 0.47 0.18 0.79 97.28 1.26 0.00 0.01 0.00 29 S H H 51.35 3.67 14.64 19.47 92.54 51.75 -65.85 -40.30 1.53 0.01 98.46 0.41 0.18 0.82 97.53 1.05 0.00 0.01 0.00 30 V H H 65.13 5.77 12.96 20.33 92.78 50.87 -65.83 -40.46 2.65 0.03 97.32 0.66 0.32 1.54 96.39 1.07 0.01 0.01 0.01 31 R H H 141.23 2.18 14.51 17.09 92.62 52.01 -65.82 -38.58 6.72 0.04 93.24 1.21 0.67 4.60 91.95 1.51 0.01 0.02 0.02 32 K H H 129.36 1.85 14.12 16.04 93.68 52.60 -67.48 -36.36 19.42 0.06 80.52 2.79 1.89 14.28 78.67 2.29 0.02 0.02 0.04 33 K H H 109.86 4.58 11.56 17.63 95.50 58.01 -71.55 -25.06 27.04 0.17 72.79 8.63 4.30 14.30 65.36 7.22 0.02 0.07 0.10 34 E H H 118.29 3.08 12.39 16.63 95.56 66.97 -68.70 -32.37 29.52 0.33 70.16 9.15 4.56 14.99 53.74 17.18 0.03 0.16 0.18 35 Y H H 148.67 2.38 12.15 15.36 95.76 56.02 -74.84 -26.80 37.88 0.47 61.65 9.43 6.06 21.32 43.43 19.19 0.06 0.23 0.27 36 F C H 127.23 3.68 10.51 15.74 101.60 54.64 -87.62 4.17 52.40 1.50 46.11 21.92 10.78 20.77 30.89 14.05 0.06 0.67 0.87 37 L C C 98.61 4.73 10.25 16.72 105.33 94.94 -83.33 58.82 69.28 1.93 28.79 39.40 20.06 10.07 24.24 4.36 0.02 0.72 1.13 38 R C C 156.64 2.56 11.56 15.43 111.05 72.29 -90.32 123.35 72.11 0.65 27.24 47.01 17.03 7.07 24.32 3.98 0.00 0.26 0.33 39 P C C 87.32 3.49 11.38 16.23 102.62 -109.61 -70.11 -18.07 63.16 0.46 36.39 31.49 10.52 20.41 30.90 6.23 0.00 0.20 0.25 40 S C C 61.99 3.57 11.64 16.48 104.73 43.78 -78.64 69.66 60.43 0.60 38.97 39.09 5.54 14.83 34.62 5.31 0.00 0.28 0.32 41 L H H 96.41 3.61 11.53 16.62 95.13 -100.96 -66.08 -37.22 11.40 0.12 88.48 6.75 2.45 2.72 86.50 1.49 0.00 0.05 0.04 42 Q H H 115.52 1.57 13.81 15.25 93.03 54.09 -65.33 -40.85 4.17 0.04 95.79 1.80 0.62 1.70 94.71 1.13 0.00 0.02 0.01 43 K H H 116.94 2.02 14.04 16.31 92.31 50.17 -65.38 -40.26 3.42 0.04 96.54 1.60 0.45 1.43 95.24 1.24 0.00 0.02 0.01 44 F H H 100.18 3.70 12.97 18.16 92.37 50.44 -65.00 -41.57 2.19 0.02 97.79 1.04 0.28 0.86 97.17 0.64 0.00 0.01 0.00 45 R H H 135.93 1.96 15.29 17.25 92.03 49.94 -64.56 -41.09 1.97 0.01 98.02 0.84 0.24 0.82 97.72 0.36 0.00 0.01 0.00 46 D H H 86.37 1.65 16.02 16.98 92.06 49.69 -64.65 -40.65 1.82 0.01 98.17 0.61 0.21 0.85 98.06 0.26 0.00 0.00 0.00 47 S H H 56.49 2.94 15.04 18.67 92.33 50.32 -64.88 -40.54 2.66 0.01 97.34 0.79 0.30 1.35 97.27 0.28 0.00 0.00 0.00 48 E H H 103.03 2.94 15.44 19.04 92.09 50.69 -65.24 -40.53 1.67 0.00 98.32 0.48 0.18 0.80 98.33 0.20 0.00 0.00 0.00 49 L H H 91.74 2.03 16.03 17.75 91.91 50.29 -64.94 -41.08 1.09 0.00 98.91 0.29 0.11 0.52 98.91 0.16 0.00 0.00 0.00 50 T H H 70.82 2.10 16.25 18.05 91.96 50.06 -64.40 -41.81 1.20 0.00 98.79 0.32 0.12 0.62 98.77 0.18 0.00 0.00 0.00 51 Y H H 118.02 3.04 15.32 19.07 92.13 49.53 -64.57 -41.59 0.93 0.00 99.07 0.24 0.10 0.48 99.02 0.15 0.00 0.00 0.00 52 A H H 58.89 3.01 15.49 19.06 91.98 50.55 -64.10 -40.77 0.97 0.00 99.03 0.23 0.09 0.52 98.99 0.17 0.00 0.00 0.00 53 K H H 129.52 1.43 16.91 17.22 91.78 49.67 -65.32 -41.16 1.51 0.00 98.48 0.30 0.14 0.90 98.46 0.20 0.00 0.00 0.00 54 N H H 86.66 2.35 16.46 18.71 92.35 49.27 -65.23 -40.88 1.78 0.00 98.21 0.37 0.17 1.06 98.19 0.21 0.00 0.00 0.00 55 M H H 87.79 3.74 15.29 20.13 92.05 50.07 -64.37 -41.07 0.98 0.00 99.02 0.20 0.09 0.54 99.04 0.13 0.00 0.00 0.00 56 G H H 33.43 3.10 15.55 19.50 91.67 51.24 -63.34 -41.45 0.78 0.00 99.22 0.16 0.05 0.42 99.25 0.12 0.00 0.00 0.00 57 K H H 119.04 1.69 16.95 17.78 92.08 50.15 -65.33 -41.02 0.49 0.00 99.51 0.09 0.03 0.27 99.53 0.08 0.00 0.00 0.00 58 L H H 84.55 2.78 15.94 19.14 92.03 49.99 -64.58 -41.70 0.36 0.00 99.64 0.07 0.02 0.18 99.67 0.05 0.00 0.00 0.00 59 I H H 84.26 3.43 15.12 19.51 92.02 49.38 -64.51 -41.76 0.25 0.00 99.75 0.04 0.02 0.12 99.78 0.04 0.00 0.00 0.00 60 H H H 113.47 1.96 16.02 17.75 91.85 50.55 -64.33 -41.07 0.21 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 61 E H H 106.32 1.94 16.18 17.73 92.02 50.15 -64.99 -40.94 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 62 R H H 124.69 2.83 15.62 19.00 92.10 50.19 -65.27 -40.94 0.33 0.00 99.67 0.04 0.02 0.20 99.71 0.04 0.00 0.00 0.00 63 V H H 75.35 3.06 15.01 18.84 91.78 49.89 -64.58 -41.29 0.28 0.00 99.72 0.04 0.02 0.15 99.75 0.04 0.00 0.00 0.00 64 N H H 89.00 1.92 16.13 17.67 91.68 50.85 -64.26 -40.63 0.31 0.00 99.69 0.04 0.02 0.18 99.72 0.04 0.00 0.00 0.00 65 W H H 131.82 2.28 15.30 17.68 92.00 50.53 -64.87 -41.80 0.30 0.00 99.70 0.05 0.02 0.17 99.70 0.06 0.00 0.00 0.00 66 V H H 72.37 2.86 14.42 18.17 91.86 49.55 -64.47 -42.18 0.29 0.00 99.70 0.06 0.02 0.16 99.68 0.08 0.00 0.00 0.00 67 V H H 77.91 2.14 14.10 16.59 91.74 50.01 -64.40 -41.35 0.55 0.00 99.45 0.11 0.05 0.31 99.40 0.12 0.00 0.00 0.00 68 K H H 116.12 1.61 13.64 15.18 91.88 50.77 -65.26 -40.35 1.74 0.01 98.26 0.31 0.14 1.10 98.14 0.30 0.00 0.00 0.00 69 R H H 130.74 1.96 11.93 14.60 92.25 50.98 -66.12 -38.61 4.72 0.02 95.26 0.92 0.48 3.08 94.63 0.85 0.00 0.01 0.01 70 K H H 126.52 1.77 10.95 13.45 92.83 52.03 -67.03 -36.01 10.30 0.05 89.65 2.55 1.24 6.41 87.67 2.08 0.01 0.02 0.02 71 K H H 147.27 1.15 10.39 11.81 94.00 53.33 -69.14 -31.66 22.86 0.12 77.02 4.75 2.47 15.55 73.79 3.30 0.02 0.05 0.07 72 I H H 123.67 1.56 8.46 11.01 97.57 55.05 -80.25 -14.36 40.91 0.36 58.73 11.33 5.39 24.40 55.36 3.14 0.03 0.14 0.21 73 K C C 161.59 1.22 8.62 10.77 101.15 58.15 -75.04 34.28 70.34 0.39 29.27 41.48 1.48 25.32 29.36 1.94 0.00 0.16 0.25 74 L C C 116.77 3.17 9.31 14.24 106.76 141.10 -83.21 76.40 99.97 0.01 0.01 99.91 0.04 0.04 0.01 0.00 0.00 0.00 0.00