# 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 112.75 5.39 9.12 16.30 117.31 -150.66 -91.59 137.45 99.90 0.08 0.02 99.68 0.21 0.05 0.01 0.00 0.00 0.03 0.02 1 P C C 101.19 2.30 8.40 12.34 114.22 -108.81 -70.04 148.60 98.51 0.60 0.89 94.84 0.60 3.41 0.30 0.30 0.00 0.28 0.27 2 N C C 137.44 0.91 8.07 9.94 109.40 -109.07 -80.83 126.02 97.70 1.15 1.16 71.09 19.36 7.07 0.29 0.92 0.00 0.50 0.78 3 K C C 150.01 2.17 6.95 11.01 116.12 -124.18 -94.36 135.38 98.46 0.97 0.57 65.60 31.98 0.97 0.20 0.29 0.00 0.36 0.61 4 P C C 107.63 1.99 7.63 11.34 112.65 -107.15 -69.38 142.89 97.88 0.79 1.32 90.99 4.95 2.00 0.34 0.90 0.00 0.41 0.41 5 I C C 133.34 2.18 7.28 11.30 114.52 -123.68 -86.21 134.70 96.05 2.09 1.87 85.80 6.36 3.62 0.39 1.68 0.00 1.01 1.14 6 R C C 189.30 1.03 9.23 11.05 114.16 -136.62 -93.43 129.50 94.82 3.90 1.28 82.38 8.85 2.82 0.30 1.23 0.00 1.50 2.92 7 L C C 98.94 6.83 6.36 14.54 116.97 -130.30 -89.71 137.39 98.36 1.53 0.11 78.83 19.37 0.21 0.04 0.05 0.00 0.57 0.92 8 P C C 92.65 2.35 12.09 15.41 115.91 -107.72 -67.74 150.46 99.63 0.30 0.07 96.61 2.75 0.32 0.02 0.03 0.00 0.15 0.11 9 P C C 112.49 2.08 11.08 14.76 113.79 -102.46 -68.18 143.11 97.87 1.85 0.28 91.73 5.15 0.79 0.09 0.16 0.00 0.59 1.50 10 L C C 78.32 10.07 6.41 16.99 113.54 -126.19 -89.42 128.30 95.44 3.84 0.72 92.67 2.34 0.62 0.22 0.38 0.00 1.70 2.08 11 K C C 171.19 0.76 13.24 13.08 97.08 -147.56 -76.30 -29.62 97.17 2.01 0.82 49.35 42.07 5.85 0.15 0.72 0.00 1.45 0.42 12 Q C C 128.66 1.91 12.36 15.10 125.19 12.65 -133.92 138.80 79.08 19.66 1.26 48.90 24.70 6.42 0.25 1.15 0.00 16.30 2.29 13 L C C 85.80 10.55 8.38 19.56 118.81 -163.25 -109.61 129.16 68.20 31.06 0.75 65.80 2.20 0.46 0.27 0.40 0.00 27.22 3.65 14 R C C 155.67 2.37 15.26 18.58 120.59 -166.85 -116.34 133.71 68.14 31.19 0.67 65.88 1.80 0.41 0.35 0.27 0.00 26.08 5.21 15 V C C 74.34 11.22 9.62 21.50 118.60 -155.81 -105.16 132.80 77.79 20.56 1.65 72.72 3.69 1.09 0.91 0.71 0.00 16.74 4.14 16 R C C 138.32 4.17 13.11 18.77 117.52 -141.48 -94.42 144.54 91.17 7.06 1.77 82.50 7.07 1.44 0.97 0.75 0.00 5.19 2.10 17 Q C C 121.37 3.48 12.78 17.84 113.83 -103.50 -72.38 138.52 95.50 1.83 2.67 89.37 4.81 1.66 1.29 1.01 0.00 0.98 0.87 18 A C C 62.10 7.82 8.73 17.77 107.84 -111.78 -68.94 144.24 82.51 1.18 16.31 49.70 12.02 21.13 5.26 10.57 0.00 0.60 0.72 19 N C C 120.41 2.06 11.12 14.12 105.22 -91.59 -81.05 81.87 81.34 1.22 17.44 40.12 17.42 24.57 5.57 10.97 0.00 0.54 0.81 20 K C C 141.86 3.07 9.95 14.60 102.18 -136.10 -83.03 4.58 77.35 1.47 21.18 47.19 18.18 11.96 7.58 13.40 0.00 0.63 1.06 21 A C C 70.41 4.34 9.41 15.38 103.56 103.20 -78.02 -5.46 75.97 1.47 22.56 47.93 14.31 13.20 8.53 14.40 0.00 0.68 0.94 22 E C C 133.40 2.87 10.91 15.15 105.90 62.53 -84.90 47.14 80.06 1.41 18.53 47.35 16.75 15.78 6.35 12.21 0.00 0.67 0.88 23 E C C 131.02 3.46 11.43 16.46 107.76 66.15 -85.48 78.79 84.04 1.45 14.52 50.73 21.10 12.01 5.71 8.71 0.00 0.53 1.20 24 N C C 67.68 8.51 10.12 19.96 111.94 87.70 -100.25 118.23 97.15 0.49 2.35 75.46 20.01 1.44 2.02 0.43 0.00 0.14 0.50 25 P C T 92.46 3.18 15.05 19.30 93.30 -146.96 -64.35 -26.72 65.92 0.17 33.90 4.41 4.10 55.64 32.10 3.52 0.02 0.07 0.13 26 C C T 50.29 10.40 13.47 24.67 93.73 58.41 -73.48 -22.97 55.00 0.16 44.84 4.21 3.03 45.91 43.62 3.02 0.03 0.07 0.10 27 I H H 61.03 9.68 14.45 25.36 92.63 63.79 -63.66 -40.84 2.56 0.04 97.40 1.18 0.39 0.86 97.05 0.50 0.00 0.02 0.01 28 A H H 57.97 3.18 18.68 21.96 92.01 51.88 -63.96 -41.02 0.35 0.00 99.64 0.13 0.03 0.14 99.58 0.12 0.00 0.00 0.00 29 V H H 65.07 6.86 18.49 26.24 92.05 49.16 -65.24 -41.51 0.14 0.00 99.86 0.03 0.01 0.06 99.84 0.07 0.00 0.00 0.00 30 M H H 52.24 13.51 16.70 30.37 92.10 49.92 -64.90 -41.15 0.07 0.00 99.93 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 31 S H H 50.12 6.04 19.46 26.24 91.40 51.60 -63.45 -41.14 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 32 S H H 58.52 3.38 21.29 24.35 91.70 50.64 -64.81 -41.23 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 33 V H H 43.22 11.77 18.17 30.48 91.82 50.03 -64.49 -42.42 0.12 0.00 99.88 0.00 0.00 0.09 99.89 0.01 0.00 0.00 0.00 34 L H H 56.75 11.31 18.27 29.93 91.57 50.08 -63.57 -41.31 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 35 A H H 59.21 2.84 21.32 23.41 91.63 51.12 -63.98 -41.36 0.22 0.00 99.78 0.01 0.01 0.17 99.73 0.08 0.00 0.00 0.00 36 C H H 48.39 5.44 17.86 24.65 91.77 50.28 -64.07 -41.62 0.62 0.00 99.38 0.03 0.03 0.49 99.28 0.16 0.00 0.00 0.00 37 W H H 64.02 12.02 13.87 26.96 91.75 50.37 -64.15 -41.02 1.43 0.00 98.56 0.15 0.13 1.04 98.23 0.45 0.00 0.00 0.00 38 A H H 64.90 4.63 15.31 21.10 91.75 52.69 -64.86 -37.87 4.24 0.01 95.75 0.31 0.29 3.49 94.25 1.63 0.01 0.00 0.00 39 S H H 88.78 1.10 15.35 15.61 93.49 53.03 -72.26 -26.19 13.88 0.04 86.08 0.65 0.96 12.35 84.19 1.78 0.03 0.01 0.02 40 A C H 63.97 4.93 11.82 18.17 97.63 47.83 -91.91 -3.42 52.94 0.30 46.76 3.09 6.79 42.10 45.12 2.47 0.09 0.09 0.25 41 G C T 56.67 1.78 15.19 17.00 100.55 -112.83 74.40 19.06 96.94 0.27 2.80 23.09 11.01 63.19 1.32 1.11 0.00 0.14 0.14 42 Y C C 123.16 10.35 10.61 21.20 101.47 -66.07 -28.26 66.31 94.08 1.26 4.66 66.62 18.13 9.18 2.09 2.43 0.00 0.53 1.02 43 N C C 97.77 2.98 16.06 19.56 113.61 141.96 -98.15 130.99 94.87 0.98 4.16 81.10 8.67 5.07 2.38 1.57 0.00 0.39 0.82 44 S H H 65.09 8.50 12.55 21.95 95.58 -137.08 -64.23 -36.12 24.30 0.27 75.44 8.49 10.16 7.97 70.81 2.28 0.04 0.08 0.17 45 A H H 80.52 1.39 18.36 18.47 93.32 54.30 -65.45 -39.86 9.97 0.04 90.00 0.97 1.36 7.64 86.91 3.04 0.04 0.02 0.02 46 G H H 29.42 5.16 16.84 23.29 92.85 49.42 -65.56 -39.72 9.87 0.05 90.08 1.22 1.02 7.53 86.15 3.99 0.03 0.03 0.02 47 C H H 19.79 15.29 12.47 28.46 92.70 51.66 -66.67 -39.42 4.97 0.03 94.99 1.15 0.60 3.17 93.23 1.81 0.01 0.01 0.01 48 A H H 51.28 5.58 18.91 25.36 91.61 53.28 -62.61 -41.92 0.61 0.00 99.39 0.19 0.06 0.26 99.39 0.10 0.00 0.00 0.00 49 T H H 85.63 1.65 22.40 21.97 91.89 49.80 -65.01 -41.86 0.25 0.00 99.75 0.05 0.01 0.13 99.76 0.05 0.00 0.00 0.00 50 V H H 42.94 10.40 18.42 29.75 91.91 49.06 -65.17 -42.05 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.02 0.00 0.00 0.00 51 E H H 42.74 14.36 17.02 31.70 91.60 51.65 -62.49 -42.45 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 52 N H H 92.35 2.44 22.51 24.00 91.45 50.24 -63.75 -41.40 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 53 A H H 50.15 4.30 20.08 24.77 91.42 50.43 -64.30 -41.33 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 54 L H H 37.18 14.45 15.73 30.66 91.81 50.21 -64.62 -41.54 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 55 R H H 114.08 6.25 18.85 25.90 91.44 51.31 -62.74 -41.51 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 56 A H H 62.84 1.95 19.66 20.36 91.79 50.18 -64.14 -41.37 0.41 0.00 99.59 0.02 0.01 0.35 99.41 0.20 0.00 0.00 0.00 57 C H H 45.03 8.82 14.49 24.74 91.93 50.37 -65.84 -39.06 1.90 0.00 98.10 0.08 0.07 1.75 97.41 0.69 0.00 0.00 0.00 58 M H H 79.52 10.16 13.05 24.06 92.08 52.79 -70.49 -25.01 17.85 0.04 82.11 0.83 1.07 15.86 81.03 1.15 0.03 0.01 0.03 59 D C T 116.53 1.31 15.64 16.42 95.41 53.27 -89.40 -3.63 59.81 0.47 39.72 7.03 7.70 43.39 39.28 2.04 0.05 0.15 0.36 60 A C S 54.77 6.09 8.69 16.92 118.18 106.96 -76.04 147.87 98.87 0.47 0.67 29.86 67.76 1.25 0.51 0.13 0.00 0.13 0.36 61 P C C 111.66 1.61 11.05 13.78 112.82 -101.12 -67.71 145.07 98.92 0.66 0.42 91.42 6.53 0.90 0.19 0.16 0.00 0.22 0.58 62 K C C 148.23 3.06 8.11 13.52 115.11 -112.28 -83.03 138.53 99.06 0.71 0.23 93.13 5.43 0.40 0.11 0.08 0.00 0.21 0.63 63 P C C 103.70 2.47 8.56 13.01 114.16 -104.04 -69.60 147.84 99.05 0.49 0.47 92.36 5.63 1.04 0.19 0.20 0.00 0.17 0.41 64 A C C 89.15 1.63 8.32 11.62 114.58 -103.44 -73.53 145.71 99.03 0.42 0.55 79.61 17.87 1.53 0.23 0.27 0.00 0.15 0.35 65 P C C 112.91 1.64 8.65 11.84 113.73 -99.85 -70.94 145.94 99.01 0.39 0.60 78.87 18.38 1.76 0.23 0.30 0.00 0.15 0.30 66 K C C 152.93 2.00 8.09 12.08 114.75 -108.11 -81.56 139.01 98.71 0.60 0.69 88.55 9.40 0.78 0.37 0.26 0.00 0.22 0.42 67 P C C 100.44 2.81 8.26 13.06 111.92 -107.83 -67.95 147.35 96.01 1.27 2.73 90.24 3.96 1.93 1.42 0.93 0.00 0.48 1.05 68 N C C 128.44 1.55 9.00 11.79 108.27 -120.90 -80.90 123.92 87.70 1.80 10.50 69.97 11.61 5.93 6.91 3.39 0.00 0.71 1.47 69 N C C 105.43 3.50 8.70 13.95 109.19 -109.23 -89.23 113.78 78.70 1.91 19.39 55.82 14.15 8.69 14.50 4.82 0.00 0.82 1.19 70 T C C 92.51 3.33 10.08 15.00 101.31 -164.58 -89.44 4.34 64.22 2.72 33.06 42.64 13.32 8.79 27.97 4.67 0.02 1.18 1.41 71 I H H 100.47 4.58 9.96 16.20 101.61 70.07 -79.02 -12.22 48.51 2.88 48.61 28.03 12.93 9.47 43.07 3.83 0.08 1.23 1.35 72 N H H 85.47 4.65 10.35 16.51 103.81 55.46 -82.66 56.55 40.74 1.33 57.94 28.36 6.10 7.22 53.79 3.35 0.01 0.61 0.57 73 Y H H 149.91 1.91 12.18 14.61 94.15 58.88 -65.64 -37.09 14.74 0.35 84.91 4.04 2.70 8.72 77.43 6.63 0.13 0.19 0.16 74 H H H 108.89 2.86 12.33 16.27 93.20 50.78 -66.47 -40.19 11.87 0.21 87.93 2.35 1.68 7.97 79.91 7.75 0.12 0.12 0.10 75 L H H 74.66 4.96 10.80 17.64 92.80 50.89 -66.53 -38.04 5.57 0.05 94.38 0.94 0.64 3.60 83.55 11.20 0.02 0.03 0.02 76 S H H 61.90 2.57 12.31 15.92 92.04 53.63 -64.91 -37.62 6.05 0.03 93.92 0.51 0.40 4.36 76.80 17.90 0.01 0.02 0.01 77 R H H 152.56 1.49 12.44 14.07 92.67 53.18 -70.03 -29.37 16.11 0.04 83.85 0.66 0.82 13.42 64.26 20.77 0.03 0.02 0.03 78 F H H 107.60 4.49 10.07 16.34 96.84 49.90 -89.67 -8.90 26.26 0.11 73.63 2.03 2.28 20.22 55.37 19.88 0.07 0.05 0.09 79 Q H G 102.77 4.70 9.48 16.22 93.31 92.44 -60.64 -38.52 19.76 0.29 79.95 5.14 2.60 10.73 34.98 46.26 0.02 0.16 0.12 80 E H G 150.51 0.98 11.89 12.54 93.12 56.20 -72.36 -20.62 23.59 0.30 76.12 3.39 2.51 15.40 34.15 44.22 0.03 0.16 0.14 81 R H G 159.34 2.13 10.46 13.65 97.53 54.27 -88.10 -6.28 25.31 0.88 73.81 5.65 3.77 14.33 33.43 41.91 0.07 0.53 0.31 82 L C C 102.04 4.84 7.60 14.24 109.63 89.72 -88.18 117.54 54.82 12.44 32.74 34.44 13.56 8.47 23.71 7.51 0.23 5.68 6.40 83 T C C 100.57 2.14 8.61 12.50 114.69 -162.58 -101.89 127.67 76.18 8.03 15.79 52.79 13.79 8.58 13.52 3.23 0.03 4.20 3.86 84 Q C C 141.87 1.76 8.02 11.43 113.02 -145.76 -90.27 129.78 88.15 4.00 7.85 51.41 28.24 8.77 5.35 2.49 0.01 2.07 1.66 85 G C C 55.51 2.00 8.04 11.64 115.83 -112.33 -82.35 165.96 90.29 2.29 7.42 65.06 15.81 9.51 3.50 3.78 0.00 1.26 1.07 86 K C C 161.86 1.39 7.60 10.42 114.41 -106.26 -93.15 135.94 85.28 3.69 11.03 60.35 13.18 11.65 3.92 7.06 0.00 2.05 1.79 87 S C C 89.24 1.85 6.02 9.74 113.67 -126.68 -88.46 132.87 86.32 3.82 9.85 59.17 14.08 13.07 3.04 6.70 0.00 2.24 1.69 88 K C C 163.96 1.25 6.65 9.40 111.11 -145.01 -91.82 122.02 91.01 3.13 5.86 81.25 3.27 7.20 2.23 2.73 0.00 1.83 1.48 89 K C C 162.84 1.41 8.92 11.63 109.34 -132.48 -85.28 119.70 99.79 0.15 0.06 99.48 0.22 0.15 0.03 0.01 0.00 0.08 0.03