# 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 96.41 7.71 10.50 19.59 117.96 -164.28 -97.11 138.02 99.83 0.16 0.02 99.69 0.18 0.03 0.01 0.00 0.00 0.05 0.04 1 F C C 111.90 3.99 10.33 15.98 113.84 -116.98 -77.78 139.99 91.83 0.35 7.81 90.11 0.65 0.62 8.20 0.13 0.00 0.09 0.20 2 P H H 100.64 1.79 10.74 13.43 93.36 -121.89 -59.70 -36.87 9.16 0.03 90.81 2.58 1.12 5.27 89.96 1.03 0.00 0.01 0.02 3 L H H 114.05 1.42 11.68 13.37 92.44 52.29 -66.29 -38.51 4.00 0.02 95.98 0.85 0.45 2.49 95.07 1.12 0.00 0.01 0.01 4 A H H 48.25 3.98 11.09 16.94 92.30 50.62 -65.57 -40.34 1.16 0.01 98.83 0.41 0.14 0.54 98.00 0.91 0.00 0.00 0.00 5 K H H 116.61 2.58 13.86 17.27 91.98 51.58 -65.28 -40.64 0.77 0.01 99.22 0.24 0.09 0.38 98.79 0.49 0.00 0.00 0.00 6 N H H 88.20 1.97 14.86 16.75 92.23 50.45 -65.15 -40.50 1.03 0.01 98.96 0.24 0.10 0.59 98.59 0.47 0.00 0.00 0.00 7 A H H 52.32 2.98 14.13 18.11 92.01 51.46 -64.09 -41.08 1.94 0.01 98.05 0.34 0.16 1.25 97.59 0.65 0.00 0.01 0.00 8 L H H 84.95 3.18 14.28 18.42 92.14 50.59 -65.00 -40.12 5.35 0.03 94.62 0.88 0.51 3.65 93.68 1.25 0.01 0.01 0.01 9 S H H 60.52 2.65 14.38 17.63 92.52 51.69 -65.71 -39.16 16.58 0.10 83.32 3.35 1.74 11.20 80.97 2.62 0.02 0.04 0.05 10 R H H 145.42 1.93 14.18 16.31 93.03 51.81 -67.54 -37.40 24.63 0.24 75.13 6.80 3.54 14.65 70.45 4.27 0.04 0.12 0.13 11 L H H 94.63 3.06 13.14 17.17 94.21 53.56 -68.55 -36.45 30.44 0.59 68.97 16.20 5.47 9.82 63.36 4.59 0.02 0.28 0.26 12 R H H 149.06 1.99 14.44 16.62 94.24 55.24 -67.42 -35.92 37.63 0.86 61.52 24.29 4.60 9.02 57.56 3.75 0.01 0.42 0.35 13 V H H 83.08 3.07 13.36 17.22 95.01 52.46 -69.91 -36.91 36.55 0.80 62.65 24.32 5.14 7.35 59.50 3.02 0.01 0.37 0.31 14 Q H H 101.09 3.22 13.52 17.72 94.77 54.77 -68.61 -36.82 35.24 0.54 64.22 23.57 4.02 6.81 63.11 2.05 0.00 0.23 0.21 15 S H H 61.24 2.80 14.11 17.52 94.04 54.46 -67.02 -38.86 25.80 0.35 73.85 17.14 3.08 5.44 72.51 1.55 0.00 0.15 0.12 16 I H H 99.04 2.20 14.45 16.80 93.05 51.02 -66.15 -40.50 5.48 0.08 94.44 3.29 0.73 1.47 93.66 0.80 0.00 0.03 0.02 17 Q H H 102.39 2.60 14.35 17.59 92.78 50.64 -65.86 -40.17 2.10 0.03 97.87 1.06 0.26 0.77 97.30 0.57 0.00 0.02 0.01 18 Q H H 102.08 2.47 14.79 17.71 92.61 50.71 -65.45 -39.93 1.76 0.03 98.21 0.73 0.21 0.78 97.70 0.55 0.00 0.02 0.00 19 A H H 55.26 2.46 14.93 17.76 92.37 50.57 -64.39 -41.78 1.69 0.03 98.28 0.65 0.19 0.78 97.91 0.44 0.00 0.02 0.01 20 V H H 77.41 2.41 15.01 17.76 92.31 49.96 -64.94 -40.96 2.00 0.03 97.97 0.69 0.23 0.96 97.65 0.45 0.00 0.02 0.01 21 A H H 52.32 3.09 13.60 17.92 92.20 51.01 -64.61 -40.72 2.70 0.02 97.28 0.75 0.29 1.47 96.65 0.82 0.00 0.01 0.01 22 R H H 136.75 1.98 14.02 16.21 92.36 51.16 -65.87 -39.15 5.02 0.03 94.94 1.05 0.52 3.21 93.64 1.55 0.01 0.01 0.01 23 Q H H 109.19 1.76 13.51 15.32 92.84 50.82 -67.25 -37.79 8.86 0.05 91.09 1.72 0.99 5.93 89.05 2.24 0.02 0.02 0.02 24 I H H 99.52 2.39 12.00 15.27 93.85 52.04 -68.68 -36.75 16.55 0.11 83.33 4.09 2.37 10.22 80.13 3.05 0.03 0.05 0.06 25 H H H 127.75 2.29 10.82 14.17 95.62 54.09 -74.89 -25.77 30.30 0.27 69.43 10.33 4.89 15.94 64.32 4.22 0.03 0.11 0.17 26 Q H H 121.17 2.47 9.97 13.73 99.03 65.09 -77.50 -14.67 44.66 0.49 54.84 19.26 7.74 19.12 47.42 5.92 0.03 0.20 0.31 27 K C H 154.41 1.55 10.21 12.63 99.13 73.30 -78.54 -15.01 61.34 0.68 37.97 25.61 13.68 23.08 31.16 5.74 0.02 0.25 0.46 28 R C C 170.90 1.80 9.30 12.34 108.40 60.02 -94.31 87.48 76.87 0.98 22.15 39.27 18.26 19.87 16.46 5.04 0.01 0.34 0.76 29 A C C 73.04 3.26 9.33 14.41 117.96 108.12 -92.03 139.12 98.04 0.60 1.36 62.90 34.04 1.15 0.96 0.34 0.00 0.17 0.43 30 P C C 86.45 4.38 9.52 15.80 113.38 -105.74 -68.48 148.37 97.08 0.60 2.32 83.72 10.92 2.46 1.56 0.66 0.00 0.23 0.45 31 D C C 85.05 3.17 10.70 15.31 116.66 -123.16 -84.08 153.58 94.86 1.64 3.50 86.42 6.34 1.67 2.89 0.60 0.00 0.43 1.66 32 F H H 142.58 2.46 10.48 14.29 93.08 -114.71 -61.93 -37.04 12.92 0.11 86.97 3.76 2.84 7.00 81.11 5.14 0.05 0.05 0.07 33 H H H 128.20 2.15 11.82 14.81 92.81 52.78 -66.25 -38.84 7.87 0.04 92.09 1.08 1.00 5.65 85.79 6.41 0.03 0.02 0.02 34 D H H 86.17 2.81 12.60 16.41 93.35 48.66 -67.98 -37.98 5.27 0.04 94.69 0.94 0.66 3.48 87.23 7.64 0.02 0.03 0.02 35 K H H 123.58 2.45 13.77 16.85 94.17 47.63 -71.52 -37.63 7.08 0.05 92.87 0.84 0.85 5.30 87.91 5.02 0.03 0.02 0.02 36 Y H H 126.80 3.48 13.92 18.29 98.85 39.66 -87.60 -25.57 19.33 0.13 80.53 2.19 2.62 14.71 77.38 2.89 0.07 0.05 0.08 37 G H H 29.74 5.23 13.38 20.34 94.86 60.31 -65.78 -42.08 18.18 0.12 81.70 7.10 3.02 7.83 80.49 1.44 0.01 0.04 0.08 38 N H H 91.13 3.04 15.74 19.28 93.06 48.50 -65.83 -39.66 4.18 0.03 95.80 1.22 0.56 2.14 95.15 0.91 0.00 0.01 0.01 39 A H H 59.56 2.94 16.22 19.55 92.42 50.94 -65.22 -41.00 1.63 0.02 98.35 0.41 0.19 0.89 97.66 0.85 0.00 0.01 0.00 40 V H H 79.66 3.92 15.82 20.52 92.54 49.47 -65.42 -41.91 1.10 0.03 98.87 0.28 0.12 0.61 98.22 0.74 0.00 0.01 0.01 41 L H H 94.32 3.32 16.03 20.10 92.12 49.24 -64.54 -41.28 1.68 0.04 98.28 0.34 0.16 1.05 97.73 0.68 0.00 0.02 0.01 42 A H H 60.99 2.53 16.73 19.31 92.09 49.28 -65.02 -40.97 3.23 0.02 96.75 0.41 0.28 2.35 96.38 0.55 0.00 0.01 0.01 43 S H H 57.18 3.22 16.55 20.24 92.27 50.40 -65.41 -40.84 4.27 0.01 95.71 0.58 0.37 3.10 95.50 0.44 0.00 0.00 0.01 44 G H H 31.47 4.94 15.68 21.92 92.46 51.47 -64.39 -41.49 2.28 0.01 97.71 0.35 0.19 1.55 97.60 0.31 0.00 0.00 0.00 45 A H H 57.25 3.48 16.75 20.79 92.20 50.32 -64.97 -40.84 0.86 0.00 99.14 0.15 0.07 0.52 99.04 0.22 0.00 0.00 0.00 46 T H H 75.84 2.72 17.03 19.84 92.30 49.90 -65.34 -41.38 0.53 0.00 99.46 0.09 0.04 0.33 99.37 0.17 0.00 0.00 0.00 47 F H H 115.99 3.02 16.73 20.06 92.39 48.82 -65.16 -41.81 0.35 0.00 99.65 0.06 0.02 0.22 99.60 0.10 0.00 0.00 0.00 48 C H H 68.38 3.38 16.37 20.35 92.23 49.17 -65.12 -41.98 0.40 0.00 99.60 0.05 0.02 0.27 99.59 0.07 0.00 0.00 0.00 49 V H H 81.06 2.69 16.88 19.66 92.04 48.76 -64.87 -41.89 0.23 0.00 99.76 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 50 A H H 53.45 3.06 16.11 19.78 91.94 50.50 -64.17 -41.55 0.19 0.00 99.81 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 51 V H H 76.56 3.15 16.44 19.99 91.87 49.07 -64.66 -42.28 0.16 0.00 99.84 0.01 0.01 0.12 99.84 0.03 0.00 0.00 0.00 52 W H H 137.06 3.09 16.50 20.05 92.08 49.87 -64.52 -41.42 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 53 V H H 75.87 3.57 15.72 20.10 91.95 50.39 -64.65 -41.77 0.09 0.00 99.91 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 54 Y H H 125.68 2.58 16.14 18.89 92.14 49.52 -64.72 -42.16 0.15 0.00 99.85 0.01 0.00 0.11 99.82 0.05 0.00 0.00 0.00 55 M H H 92.81 3.01 15.51 19.03 92.36 48.66 -65.09 -41.55 0.39 0.00 99.61 0.02 0.01 0.31 99.56 0.10 0.00 0.00 0.00 56 A H H 46.70 4.04 12.76 18.56 92.15 50.07 -64.92 -40.69 1.47 0.01 98.53 0.12 0.09 1.14 98.17 0.47 0.00 0.00 0.00 57 T H H 78.56 2.98 12.32 16.46 92.72 49.57 -66.51 -38.50 5.56 0.03 94.42 0.38 0.33 4.80 91.98 2.47 0.02 0.01 0.01 58 Q H H 134.22 1.44 12.25 13.99 92.28 54.24 -68.32 -26.59 16.02 0.05 83.93 0.62 0.81 14.95 81.26 2.28 0.03 0.02 0.03 59 I C T 116.58 2.07 11.04 13.86 95.24 49.90 -88.87 -3.83 58.83 0.18 40.99 1.51 4.01 52.25 39.15 2.80 0.04 0.07 0.16 60 G C T 61.73 0.90 12.27 12.95 96.78 -111.07 79.62 13.40 99.04 0.20 0.76 15.50 4.54 79.23 0.34 0.21 0.00 0.12 0.06 61 I C C 92.43 5.25 7.52 14.88 116.67 144.60 -94.62 131.85 91.37 7.98 0.64 87.27 3.45 0.88 0.26 0.29 0.00 5.95 1.89 62 E C C 144.33 1.65 12.43 15.08 117.74 -157.04 -107.22 137.53 83.22 15.78 1.00 74.04 6.29 2.23 0.45 0.54 0.00 12.99 3.46 63 W C C 163.50 5.95 9.63 17.12 113.66 -128.50 -93.58 129.13 84.38 14.52 1.10 62.92 17.13 4.03 0.34 0.87 0.00 11.32 3.38 64 N C C 94.79 4.85 10.84 17.38 117.93 -170.72 -111.53 129.09 90.85 8.62 0.53 69.98 17.75 3.15 0.12 0.50 0.00 6.57 1.94 65 P C S 104.07 3.25 10.85 15.77 97.94 -146.02 -76.12 -10.59 95.49 3.73 0.77 38.94 47.73 8.99 0.14 0.72 0.00 2.38 1.10 66 S C S 62.20 4.95 9.33 16.11 116.11 80.40 -92.75 131.43 93.22 6.20 0.58 39.83 51.46 2.30 0.17 0.40 0.00 2.75 3.09 67 P C C 89.31 3.14 11.00 15.58 111.10 -114.12 -67.78 147.34 90.60 4.76 4.65 62.01 16.21 11.44 0.86 4.52 0.00 2.39 2.57 68 V C T 112.13 3.25 8.89 13.92 109.11 -102.19 -71.70 131.66 89.90 2.40 7.70 14.32 14.82 59.85 1.02 7.30 0.00 1.32 1.37 69 G C T 59.79 1.73 11.04 13.44 99.00 17.98 80.90 0.40 90.79 1.52 7.69 18.58 15.06 56.42 0.97 7.42 0.00 0.90 0.64 70 R C C 158.83 2.40 9.90 13.90 108.43 99.07 -89.35 56.98 90.95 3.39 5.66 61.44 22.01 6.85 1.11 4.92 0.00 1.54 2.13 71 V C C 97.31 4.10 9.00 14.81 116.50 103.36 -99.16 130.94 91.94 7.18 0.88 74.02 16.35 1.02 0.46 0.40 0.00 2.47 5.28 72 T C C 80.12 4.35 10.15 16.38 116.36 -146.44 -96.57 133.60 98.14 1.52 0.34 92.91 5.20 0.27 0.23 0.09 0.00 0.78 0.52 73 P C C 71.11 5.39 9.52 16.94 111.32 -111.51 -66.48 147.78 85.80 1.58 12.62 75.80 5.90 4.30 8.97 3.37 0.00 0.81 0.84 74 K H H 141.62 2.04 10.45 13.51 97.44 -120.56 -67.39 -34.41 46.08 0.63 53.29 23.72 8.77 13.82 30.61 22.43 0.01 0.29 0.36 75 E H H 124.99 1.72 10.25 12.73 95.78 55.96 -69.37 -32.09 37.46 0.75 61.79 16.92 6.30 14.04 35.25 26.75 0.02 0.39 0.33 76 W H H 142.07 3.90 7.72 13.44 95.55 59.38 -70.85 -27.91 29.87 0.71 69.41 14.95 4.84 9.96 37.21 32.37 0.01 0.37 0.29 77 R H H 156.83 2.36 8.15 12.06 96.80 62.86 -73.61 -23.79 40.80 1.07 58.13 18.50 7.52 14.87 35.20 22.83 0.03 0.50 0.56 78 E C C 145.93 1.31 8.50 10.76 100.46 63.43 -81.52 -1.38 60.97 0.67 38.36 39.55 2.83 20.66 22.41 13.78 0.00 0.34 0.43 79 Q C C 131.26 2.48 9.95 13.93 104.96 93.49 -82.55 52.26 99.53 0.03 0.44 98.61 0.34 0.64 0.35 0.04 0.00 0.01 0.01