# 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 72.14 11.54 12.30 24.46 118.31 -148.13 -91.66 141.39 99.97 0.02 0.01 99.92 0.05 0.02 0.00 0.00 0.00 0.01 0.00 1 K C C 115.53 3.51 15.94 19.99 113.61 -120.58 -79.81 146.37 87.91 1.42 10.67 85.01 0.99 1.62 10.44 0.45 0.00 0.31 1.19 2 Q H H 87.29 11.73 10.64 22.57 94.03 -116.29 -60.50 -37.91 8.10 0.04 91.86 2.87 1.64 3.73 89.29 2.42 0.01 0.02 0.02 3 S H H 69.59 1.94 15.27 17.19 92.35 54.90 -64.87 -38.33 4.48 0.02 95.49 1.06 0.66 2.61 91.80 3.85 0.01 0.01 0.01 4 E H H 95.64 3.43 16.17 20.28 92.36 51.17 -66.05 -38.72 2.70 0.02 97.28 0.68 0.35 1.54 93.24 4.16 0.00 0.01 0.01 5 I H H 18.48 19.00 10.68 29.35 92.41 51.40 -65.56 -39.57 2.61 0.02 97.38 0.52 0.31 1.59 93.03 4.53 0.00 0.01 0.00 6 K H H 108.15 8.54 15.28 24.79 91.31 57.12 -66.32 -27.36 17.32 0.02 82.66 0.59 0.69 16.21 78.94 3.53 0.01 0.01 0.02 7 D C T 121.31 0.86 18.17 16.96 94.50 52.63 -87.07 -6.81 54.52 0.03 45.45 0.99 1.74 51.73 42.65 2.85 0.01 0.01 0.03 8 L C S 40.16 14.10 8.38 22.80 119.47 104.64 -78.10 149.23 98.52 0.21 1.27 35.00 62.25 1.08 1.29 0.12 0.00 0.04 0.21 9 S C C 59.35 2.09 20.06 20.64 120.19 -113.93 -74.78 161.86 97.75 1.62 0.63 97.09 0.49 0.15 0.52 0.04 0.00 0.23 1.49 10 A H H 49.30 12.88 11.98 25.25 91.69 -104.80 -57.94 -38.44 1.14 0.00 98.85 0.22 0.18 0.59 98.77 0.24 0.00 0.00 0.00 11 A H H 71.22 1.59 18.46 18.88 91.30 52.90 -63.71 -40.70 0.45 0.00 99.55 0.04 0.03 0.32 99.32 0.29 0.00 0.00 0.00 12 E H H 92.93 3.40 18.38 22.07 91.71 49.01 -65.21 -40.30 0.23 0.00 99.77 0.02 0.01 0.15 99.47 0.34 0.00 0.00 0.00 13 L H H 13.75 18.56 12.39 31.38 91.88 50.55 -63.67 -42.56 0.09 0.00 99.91 0.01 0.01 0.05 99.85 0.08 0.00 0.00 0.00 14 Q H H 88.33 7.37 18.73 26.97 91.19 51.23 -62.99 -41.14 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 15 E H H 117.42 1.35 21.78 20.53 92.06 49.55 -64.57 -41.68 0.22 0.00 99.78 0.01 0.01 0.13 99.80 0.04 0.00 0.00 0.00 16 K H H 84.32 7.93 19.53 28.15 91.77 49.18 -65.25 -40.67 0.24 0.00 99.76 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 17 L H H 22.26 17.17 15.18 32.72 91.70 50.91 -64.00 -41.90 0.31 0.00 99.69 0.03 0.01 0.20 99.70 0.06 0.00 0.00 0.00 18 S H H 54.03 3.12 21.34 24.10 91.38 51.01 -63.32 -41.15 0.51 0.00 99.49 0.07 0.03 0.32 99.52 0.07 0.00 0.00 0.00 19 Q H H 99.20 2.27 22.03 22.94 91.72 50.01 -64.58 -41.44 0.67 0.00 99.33 0.09 0.04 0.40 99.39 0.08 0.00 0.00 0.00 20 T H H 22.12 14.52 16.02 31.46 91.82 50.36 -64.43 -41.63 0.81 0.00 99.19 0.13 0.06 0.46 99.26 0.08 0.00 0.00 0.00 21 K H H 95.92 9.10 18.93 28.57 91.46 52.11 -63.08 -40.70 0.61 0.00 99.38 0.11 0.04 0.31 99.47 0.07 0.00 0.00 0.00 22 K H H 127.91 1.41 22.06 21.17 91.82 50.25 -64.56 -41.34 0.53 0.00 99.46 0.10 0.04 0.26 99.55 0.06 0.00 0.00 0.00 23 V H H 60.63 6.55 19.48 26.99 91.76 49.33 -64.97 -41.77 0.56 0.00 99.44 0.10 0.04 0.28 99.51 0.07 0.00 0.00 0.00 24 Y H H 45.90 15.32 15.46 31.10 91.90 50.08 -64.06 -41.51 0.31 0.00 99.69 0.04 0.02 0.17 99.71 0.05 0.00 0.00 0.00 25 A H H 54.07 3.35 20.13 23.50 91.41 51.27 -63.26 -41.31 0.25 0.00 99.75 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 26 D H H 86.50 2.05 21.03 21.75 91.87 49.73 -64.98 -40.01 0.43 0.00 99.57 0.04 0.02 0.27 99.61 0.07 0.00 0.00 0.00 27 L H H 32.59 13.02 14.52 28.70 91.95 50.81 -64.71 -40.97 0.51 0.00 99.49 0.05 0.03 0.30 99.46 0.15 0.00 0.00 0.00 28 K H H 99.21 7.90 16.86 25.75 91.75 52.55 -63.15 -40.84 1.01 0.00 98.99 0.12 0.06 0.66 98.83 0.33 0.00 0.00 0.00 29 M H H 117.67 1.26 18.84 18.05 92.08 50.11 -65.37 -38.97 2.54 0.01 97.45 0.27 0.18 1.84 96.94 0.76 0.01 0.00 0.00 30 A H H 45.56 4.79 14.54 21.03 92.58 51.54 -67.22 -36.77 6.93 0.03 93.04 0.84 0.59 5.25 91.75 1.53 0.02 0.01 0.01 31 H H H 67.61 11.31 10.31 22.31 93.39 55.08 -68.16 -33.10 18.48 0.12 81.41 2.78 1.63 13.87 78.66 2.91 0.03 0.05 0.08 32 A H H 83.67 1.91 13.11 15.75 94.00 57.45 -69.79 -28.68 30.36 0.09 69.55 2.40 3.20 24.45 67.64 2.16 0.05 0.03 0.07 33 I C H 139.84 0.80 12.98 12.67 101.17 36.66 -94.12 -19.08 50.71 0.15 49.15 2.61 10.73 35.76 49.21 1.49 0.04 0.04 0.13 34 S C S 64.68 3.87 11.13 16.62 124.58 19.87 -137.02 147.79 98.70 0.41 0.89 15.35 79.08 4.28 0.66 0.22 0.00 0.13 0.28 35 P C C 102.26 2.77 12.19 16.29 104.34 -113.13 -69.18 84.59 98.09 0.34 1.56 73.54 18.51 5.78 0.45 1.36 0.00 0.16 0.21 36 I C C 73.94 10.78 8.18 19.49 111.61 -137.49 -85.72 119.41 96.95 0.73 2.32 85.18 7.90 3.68 0.69 1.65 0.00 0.26 0.64 37 A C C 81.39 2.82 13.40 17.44 98.91 -168.20 -80.14 -27.57 98.81 0.15 1.04 57.61 39.01 2.25 0.49 0.45 0.00 0.04 0.14 38 N C C 80.99 4.63 12.85 19.04 108.17 32.24 -115.49 89.48 99.37 0.11 0.52 83.25 15.58 0.50 0.43 0.09 0.00 0.03 0.12 39 P H H 76.53 7.16 10.90 20.09 93.02 -171.43 -62.09 -32.40 12.92 0.03 87.05 4.00 1.49 6.91 84.48 3.09 0.00 0.01 0.02 40 L H H 117.16 1.30 16.19 16.61 91.56 56.86 -64.30 -38.57 5.16 0.01 94.83 0.67 0.39 3.63 91.95 3.35 0.00 0.00 0.00 41 R H H 114.04 4.96 16.45 22.42 92.32 50.57 -66.68 -39.29 1.84 0.01 98.15 0.43 0.16 1.04 94.61 3.75 0.00 0.00 0.00 42 I H H 30.58 15.25 12.88 28.67 91.86 51.54 -64.18 -42.10 0.67 0.00 99.33 0.17 0.06 0.34 98.76 0.67 0.00 0.00 0.00 43 R H H 126.07 3.31 20.26 23.48 91.49 50.89 -63.60 -41.38 0.52 0.00 99.48 0.11 0.03 0.28 99.34 0.24 0.00 0.00 0.00 44 S H H 54.80 2.92 21.00 23.38 91.76 49.92 -64.48 -41.59 0.67 0.00 99.33 0.09 0.04 0.43 99.26 0.19 0.00 0.00 0.00 45 V H H 25.14 15.09 16.31 32.04 91.98 50.00 -64.39 -42.06 0.55 0.00 99.45 0.07 0.04 0.33 99.43 0.13 0.00 0.00 0.00 46 R H H 104.48 10.05 19.31 29.62 91.64 51.62 -62.99 -41.54 0.52 0.00 99.48 0.09 0.03 0.29 99.51 0.08 0.00 0.00 0.00 47 R H H 140.91 1.81 23.04 23.18 92.00 49.24 -64.69 -41.13 0.28 0.00 99.72 0.04 0.01 0.15 99.77 0.03 0.00 0.00 0.00 48 T H H 43.99 8.91 20.38 30.19 91.95 49.33 -64.95 -41.92 0.18 0.00 99.82 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 49 V H H 22.58 17.23 17.49 34.86 91.59 49.80 -63.43 -42.61 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 50 A H H 52.46 4.17 22.25 26.33 91.15 50.80 -62.89 -42.09 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 51 R H H 127.02 2.95 23.35 25.71 91.45 49.77 -64.55 -41.91 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 52 L H H 26.91 16.29 18.01 34.61 91.77 49.97 -64.49 -42.11 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 53 A H H 39.86 10.74 19.99 31.15 91.44 50.76 -63.18 -41.27 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 54 T H H 70.79 2.34 22.53 23.30 91.65 49.63 -63.81 -42.21 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 55 E H H 61.56 6.97 19.57 27.64 91.94 49.76 -64.63 -41.90 0.24 0.00 99.76 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 56 L H H 29.14 13.48 15.35 30.07 91.80 49.85 -64.47 -41.87 0.41 0.00 99.59 0.06 0.03 0.23 99.60 0.07 0.00 0.00 0.00 57 T H H 64.84 3.75 17.49 21.88 91.68 50.25 -64.10 -41.12 0.87 0.00 99.12 0.15 0.06 0.51 99.12 0.15 0.00 0.00 0.00 58 K H H 120.72 1.82 16.72 17.96 92.32 50.01 -65.36 -40.15 1.73 0.00 98.26 0.28 0.14 1.09 98.12 0.36 0.00 0.00 0.00 59 R H H 111.06 5.81 13.10 20.26 92.88 50.05 -67.22 -38.84 3.97 0.01 96.03 0.68 0.38 2.61 95.53 0.79 0.00 0.00 0.00 60 E H H 114.31 4.35 11.80 17.70 92.32 52.28 -67.29 -33.79 12.67 0.02 87.31 1.53 0.99 9.35 87.24 0.87 0.00 0.01 0.01 61 L H H 125.17 1.40 11.00 12.87 94.82 52.17 -77.08 -15.77 41.90 0.08 58.02 14.11 1.11 23.99 59.85 0.86 0.00 0.02 0.07 62 Q C C 125.49 2.76 11.28 15.51 99.82 68.81 -77.50 -3.57 99.94 0.01 0.06 99.70 0.08 0.17 0.04 0.00 0.00 0.00 0.00