# 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 121.46 5.00 12.46 19.03 115.36 -168.99 -97.02 133.66 99.96 0.04 0.00 99.89 0.08 0.01 0.00 0.00 0.00 0.02 0.00 1 R C C 156.07 3.59 12.28 17.80 117.59 -133.10 -95.39 134.62 97.65 2.29 0.06 97.29 0.64 0.15 0.02 0.01 0.00 1.32 0.56 2 P C C 72.83 8.99 11.48 21.65 113.71 -109.03 -68.35 146.61 93.10 6.08 0.83 80.50 8.55 3.91 0.24 0.57 0.00 4.94 1.29 3 V C C 88.94 7.11 15.78 23.89 101.13 -144.55 -84.86 -15.37 80.80 18.12 1.08 53.13 24.72 3.88 0.46 0.68 0.00 9.78 7.34 4 V C C 37.43 15.94 11.10 26.92 126.35 42.35 -123.05 142.37 77.80 21.21 0.99 55.51 22.28 1.08 0.69 0.38 0.00 10.74 9.32 5 S C C 53.92 3.84 17.73 21.91 119.84 -110.16 -72.27 161.17 97.93 1.32 0.75 95.24 2.65 0.34 0.65 0.09 0.00 0.69 0.32 6 T H H 96.88 4.30 13.19 19.39 91.42 -105.06 -58.37 -36.45 6.28 0.02 93.71 0.74 0.75 4.61 92.58 1.29 0.01 0.01 0.01 7 G H H 51.11 1.30 17.31 17.38 91.55 53.41 -64.08 -38.78 4.53 0.01 95.46 0.36 0.35 3.70 94.21 1.37 0.01 0.00 0.00 8 K H H 80.68 8.85 15.76 25.56 92.32 49.67 -69.99 -35.49 1.32 0.00 98.67 0.24 0.13 0.82 97.59 1.21 0.00 0.00 0.00 9 A H H 22.12 16.26 13.20 29.56 91.88 55.89 -62.66 -42.00 0.40 0.00 99.60 0.06 0.03 0.23 99.39 0.29 0.00 0.00 0.00 10 W H H 158.02 2.54 21.00 22.91 91.65 50.34 -64.25 -40.19 0.54 0.00 99.46 0.05 0.03 0.37 99.31 0.24 0.00 0.00 0.00 11 C H H 67.21 3.05 20.80 23.39 91.76 50.39 -64.59 -41.43 0.77 0.00 99.23 0.07 0.04 0.54 99.14 0.20 0.00 0.00 0.00 12 C H H 22.81 16.03 15.75 32.11 92.11 50.97 -64.98 -41.26 1.23 0.00 98.77 0.18 0.08 0.83 98.75 0.16 0.00 0.00 0.00 13 T H H 54.82 10.46 18.79 29.63 91.61 51.20 -63.29 -41.24 1.12 0.01 98.88 0.17 0.09 0.75 98.86 0.12 0.00 0.00 0.00 14 V H H 92.36 1.73 22.97 22.64 91.85 49.09 -64.13 -42.48 0.49 0.00 99.51 0.09 0.04 0.30 99.50 0.07 0.00 0.00 0.00 15 L H H 72.67 6.64 20.80 28.01 92.00 48.15 -65.15 -41.54 0.21 0.00 99.79 0.04 0.01 0.12 99.78 0.05 0.00 0.00 0.00 16 S H H 17.49 17.59 15.77 33.52 91.84 51.24 -63.83 -41.74 0.22 0.00 99.78 0.04 0.01 0.13 99.77 0.05 0.00 0.00 0.00 17 A H H 54.81 5.23 21.71 26.92 91.80 50.79 -63.96 -41.79 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 18 F H H 118.81 2.08 23.29 23.73 91.76 49.25 -64.50 -41.70 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 19 G H H 13.39 13.04 17.03 31.21 91.58 51.85 -63.32 -42.35 0.20 0.00 99.80 0.01 0.01 0.13 99.83 0.03 0.00 0.00 0.00 20 V H H 52.60 11.61 18.54 30.50 91.77 50.36 -63.70 -42.11 0.20 0.00 99.80 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 21 V H H 89.42 2.30 22.44 23.35 91.84 49.28 -64.49 -42.35 0.23 0.00 99.77 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 22 I H H 82.48 4.78 20.91 25.91 91.93 48.67 -64.91 -42.22 0.24 0.00 99.76 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 23 L H H 35.89 15.74 16.60 32.51 91.81 50.63 -64.48 -41.31 0.18 0.00 99.82 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 24 S H H 48.20 7.47 19.61 27.53 91.76 51.43 -63.97 -41.22 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.04 0.00 0.00 0.00 25 V H H 85.64 2.25 22.44 23.30 91.81 49.10 -64.36 -42.40 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 26 I H H 59.29 9.64 19.47 29.90 91.87 49.18 -64.47 -41.73 0.19 0.00 99.81 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 27 A H H 21.16 13.87 16.10 31.02 91.55 51.73 -62.81 -41.66 0.41 0.00 99.59 0.03 0.01 0.27 99.55 0.14 0.00 0.00 0.00 28 H H H 101.02 3.13 21.32 23.99 91.78 50.90 -63.71 -41.45 0.80 0.00 99.20 0.03 0.03 0.66 98.80 0.48 0.00 0.00 0.00 29 L H H 68.06 4.62 18.62 24.14 91.93 50.34 -64.44 -40.79 1.57 0.00 98.42 0.08 0.08 1.34 97.35 1.15 0.00 0.00 0.00 30 F H H 46.59 13.93 13.63 28.22 92.35 51.03 -65.63 -39.83 4.91 0.01 95.08 0.33 0.31 4.20 92.94 2.20 0.01 0.00 0.00 31 N H H 89.01 7.08 16.14 24.21 91.80 54.63 -67.48 -29.59 14.99 0.04 84.98 0.69 0.97 13.38 83.12 1.78 0.04 0.01 0.03 32 T C T 89.26 2.38 16.36 18.71 96.87 49.83 -90.08 0.81 75.46 0.14 24.39 1.52 5.88 66.57 23.77 2.08 0.01 0.05 0.14 33 N C T 111.21 4.57 15.01 21.06 96.28 -105.70 62.87 36.27 95.65 0.10 4.25 11.55 5.15 78.95 3.65 0.60 0.00 0.04 0.06 34 H C C 74.33 8.59 11.44 21.96 107.89 164.33 -87.21 103.53 84.05 0.98 14.97 77.51 3.84 3.55 10.63 3.35 0.00 0.34 0.78 35 E H H 102.72 7.31 13.18 22.05 95.10 -167.59 -66.95 -26.95 32.92 0.66 66.42 8.95 5.67 17.31 35.45 31.81 0.09 0.31 0.40 36 S H H 70.83 3.68 14.68 19.60 93.10 64.51 -67.01 -31.17 26.79 0.52 72.68 3.28 3.43 17.35 39.08 36.12 0.19 0.28 0.28 37 F H H 108.31 7.00 13.51 21.64 94.88 53.76 -75.36 -27.52 27.03 0.64 72.33 2.79 3.87 17.95 39.69 34.68 0.32 0.34 0.36 38 V H H 60.95 9.83 11.42 22.24 100.50 44.50 -91.85 -7.14 44.41 2.83 52.75 6.26 12.55 26.31 32.97 17.17 1.48 1.16 2.10 39 G C T 51.94 2.85 14.58 18.22 100.84 -118.61 75.92 1.83 91.57 0.99 7.43 19.05 20.25 52.61 2.75 4.26 0.00 0.47 0.62 40 S C C 69.81 4.67 12.18 18.21 112.87 50.03 -103.87 103.76 92.00 1.58 6.42 32.89 29.61 29.47 1.25 5.15 0.00 0.69 0.93 41 I C S 112.21 5.30 10.88 17.68 103.70 -131.48 -89.11 -6.90 92.72 2.38 4.90 38.57 38.92 15.15 1.18 3.53 0.00 0.91 1.75 42 N C C 120.08 2.01 13.70 16.57 109.89 72.79 -91.33 101.72 97.31 1.05 1.64 48.97 37.53 10.65 0.31 1.42 0.00 0.44 0.67 43 D C C 79.93 7.03 11.17 19.72 109.94 -98.73 -90.87 109.86 98.71 0.75 0.55 79.55 17.52 1.55 0.20 0.34 0.00 0.29 0.56 44 P C C 74.71 7.95 10.68 20.11 99.40 -158.49 -69.36 -11.43 83.27 0.48 16.25 45.52 11.06 25.66 2.42 14.83 0.00 0.22 0.29 45 E C T 137.09 2.79 14.13 17.97 101.15 69.98 -78.89 -15.03 81.63 0.56 17.81 24.50 24.13 33.09 3.15 14.48 0.00 0.23 0.42 46 D C C 88.48 4.19 15.52 20.53 107.30 28.79 -97.17 88.95 82.33 0.55 17.13 55.71 14.03 12.48 6.14 10.94 0.00 0.21 0.49 47 G H H 21.27 14.72 11.89 26.72 95.50 -162.17 -62.34 -35.93 26.93 0.10 72.97 16.21 5.23 5.42 71.22 1.84 0.00 0.03 0.06 48 P H H 77.83 5.01 18.37 24.13 92.27 53.28 -64.62 -39.88 9.25 0.04 90.71 3.24 1.31 4.44 89.43 1.54 0.00 0.02 0.02 49 A H H 53.75 3.31 20.55 23.66 92.28 50.98 -65.12 -40.83 2.97 0.02 97.01 1.15 0.35 1.35 95.85 1.28 0.00 0.01 0.00 50 V H H 30.70 12.71 16.82 30.58 92.21 50.51 -64.64 -42.08 0.78 0.00 99.22 0.26 0.08 0.35 98.87 0.44 0.00 0.00 0.00 51 A H H 26.17 12.77 17.43 31.13 91.54 51.49 -62.92 -41.66 0.51 0.00 99.49 0.12 0.04 0.26 99.38 0.20 0.00 0.00 0.00 52 H H H 111.12 2.82 23.55 25.48 91.76 50.00 -64.74 -41.24 0.44 0.00 99.56 0.08 0.03 0.25 99.52 0.12 0.00 0.00 0.00 53 T H H 57.70 6.08 21.49 28.12 91.85 49.76 -65.04 -41.71 0.32 0.00 99.68 0.05 0.02 0.18 99.68 0.07 0.00 0.00 0.00 54 V H H 29.70 16.40 17.14 33.66 91.67 50.38 -63.92 -42.51 0.14 0.00 99.86 0.01 0.01 0.08 99.86 0.04 0.00 0.00 0.00 55 Y H H 108.95 7.20 21.40 28.90 91.62 49.73 -63.60 -42.09 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 56 L H H 91.78 2.48 23.73 24.87 91.68 49.13 -64.21 -42.03 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 57 A H H 24.85 10.96 18.16 30.54 91.49 50.39 -64.04 -41.64 0.13 0.00 99.87 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 58 A H H 27.64 12.81 17.70 31.33 91.42 51.29 -63.51 -41.33 0.17 0.00 99.83 0.01 0.00 0.14 99.83 0.02 0.00 0.00 0.00 59 L H H 94.24 2.55 22.70 24.16 91.55 50.20 -64.05 -42.01 0.11 0.00 99.89 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 60 V H H 70.28 4.76 20.92 26.06 91.51 49.49 -64.00 -42.49 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 61 Y H H 55.56 14.51 17.02 31.78 91.75 50.53 -64.54 -41.74 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 62 L H H 78.00 5.97 20.09 26.50 91.66 50.21 -63.63 -41.49 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 63 V H H 81.77 2.46 21.14 22.59 91.62 49.39 -64.24 -42.12 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 64 F H H 67.55 10.33 17.91 29.09 91.75 49.73 -64.57 -41.99 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 65 F H H 76.58 10.93 17.84 29.20 91.74 50.25 -63.64 -41.82 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 66 V H H 85.74 2.31 21.38 22.57 91.85 49.29 -64.37 -42.57 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.03 0.00 0.00 0.00 67 F H H 99.40 4.17 20.15 24.57 91.90 48.80 -64.23 -42.49 0.17 0.00 99.83 0.01 0.00 0.12 99.83 0.04 0.00 0.00 0.00 68 C H H 31.34 12.05 16.32 29.49 91.87 50.46 -64.14 -42.05 0.41 0.00 99.59 0.02 0.01 0.30 99.59 0.07 0.00 0.00 0.00 69 G H H 32.25 4.88 19.08 24.69 91.59 50.88 -63.61 -41.51 0.60 0.00 99.40 0.03 0.02 0.44 99.38 0.13 0.00 0.00 0.00 70 F H H 114.01 2.25 20.34 21.50 91.62 49.58 -64.51 -41.47 0.63 0.00 99.37 0.05 0.03 0.45 99.26 0.21 0.00 0.00 0.00 71 Q H H 65.37 7.83 16.69 25.88 92.01 50.53 -65.34 -40.71 0.79 0.00 99.21 0.08 0.04 0.57 98.99 0.31 0.00 0.00 0.00 72 V H H 56.89 7.22 15.68 24.35 91.88 50.99 -64.00 -41.75 0.86 0.00 99.14 0.09 0.05 0.60 98.78 0.47 0.00 0.00 0.00 73 Y H H 127.31 1.98 17.53 18.77 91.95 50.20 -64.12 -41.54 1.39 0.00 98.60 0.17 0.10 1.00 98.00 0.73 0.00 0.00 0.00 74 L H H 81.28 3.22 15.16 19.29 92.05 50.35 -65.51 -40.15 2.83 0.01 97.16 0.32 0.24 2.10 96.17 1.16 0.00 0.00 0.00 75 A H H 45.65 7.36 11.60 20.76 92.48 53.68 -66.67 -33.63 9.16 0.03 90.82 1.15 0.83 6.84 89.16 1.98 0.01 0.01 0.01 76 R H H 158.14 2.20 13.37 16.28 93.51 54.82 -71.91 -26.71 24.82 0.10 75.08 3.43 2.51 18.59 73.21 2.14 0.02 0.04 0.06 77 R H H 166.21 1.50 12.17 13.90 98.02 53.86 -83.00 -14.16 43.72 0.43 55.85 11.89 8.25 24.49 52.67 2.24 0.04 0.15 0.27 78 K C C 125.02 4.06 9.48 15.45 114.22 79.13 -94.93 127.37 79.74 0.67 19.59 43.61 25.79 9.60 17.66 2.67 0.00 0.23 0.45 79 P C C 96.19 3.03 9.97 14.72 112.60 -120.41 -72.81 142.84 76.48 0.49 23.03 54.36 8.07 13.65 15.48 7.91 0.00 0.26 0.28 80 S C C 81.57 3.12 8.92 13.81 109.86 -124.79 -84.73 126.99 68.44 1.36 30.20 41.05 12.37 14.62 17.64 12.95 0.00 0.70 0.66 81 I C C 120.87 3.09 7.62 12.56 109.91 -129.37 -94.26 118.70 63.63 4.62 31.75 42.69 10.54 10.05 18.97 13.32 0.02 3.07 1.34 82 E C C 139.76 2.16 8.20 12.14 113.25 -158.46 -95.09 128.17 66.05 8.19 25.76 50.68 7.50 7.40 15.29 10.94 0.01 6.39 1.78 83 L C C 123.38 2.93 6.89 11.81 110.27 -148.92 -89.62 117.42 80.33 3.78 15.89 73.94 1.51 6.69 9.06 4.94 0.00 2.72 1.14 84 R C C 172.75 2.19 10.37 14.14 110.54 -158.20 -93.87 114.41 99.88 0.07 0.05 99.79 0.06 0.07 0.02 0.00 0.00 0.04 0.01