# 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 100.04 6.69 11.95 20.03 112.45 -149.87 -90.00 126.56 99.88 0.07 0.04 99.85 0.06 0.03 0.03 0.00 0.00 0.03 0.01 1 N C C 90.84 3.21 11.64 16.11 110.13 -141.72 -85.43 129.22 68.88 3.82 27.30 64.95 0.67 2.64 27.53 0.57 0.00 0.84 2.81 2 L H H 107.04 4.12 9.68 15.46 94.02 -124.56 -63.78 -36.42 7.99 0.05 91.97 3.35 1.12 2.88 91.97 0.64 0.00 0.02 0.02 3 Y H H 156.76 1.43 12.44 13.99 92.42 53.10 -65.49 -39.59 2.91 0.03 97.06 0.97 0.34 1.38 96.65 0.65 0.00 0.01 0.01 4 T H H 75.00 2.09 13.47 15.92 92.43 49.76 -65.79 -40.70 1.01 0.01 98.98 0.36 0.10 0.46 98.54 0.53 0.00 0.01 0.00 5 V H H 60.33 5.94 12.35 20.07 92.09 50.38 -64.78 -41.83 0.47 0.00 99.53 0.15 0.04 0.22 99.41 0.18 0.00 0.00 0.00 6 I H H 80.76 4.97 14.13 20.46 91.75 50.25 -64.47 -41.33 0.38 0.00 99.61 0.09 0.03 0.20 99.57 0.10 0.00 0.00 0.00 7 F H H 122.93 1.59 17.10 17.63 91.90 49.51 -64.96 -41.41 0.43 0.00 99.56 0.09 0.03 0.25 99.55 0.08 0.00 0.00 0.00 8 I H H 85.15 3.05 16.66 20.01 92.01 48.83 -65.09 -41.76 0.38 0.00 99.62 0.08 0.03 0.21 99.64 0.05 0.00 0.00 0.00 9 N H H 53.61 8.98 14.27 24.70 91.94 50.72 -64.38 -41.20 0.53 0.00 99.47 0.14 0.03 0.27 99.49 0.06 0.00 0.00 0.00 10 I H H 87.13 4.25 17.06 21.97 91.79 49.82 -64.78 -41.14 0.55 0.00 99.44 0.07 0.03 0.38 99.44 0.08 0.00 0.00 0.00 11 L H H 96.72 1.67 18.76 18.97 92.00 49.69 -64.75 -41.68 0.53 0.00 99.47 0.06 0.03 0.35 99.42 0.13 0.00 0.00 0.00 12 L H H 75.40 4.82 16.88 22.63 91.91 49.50 -65.01 -41.65 0.68 0.00 99.32 0.09 0.04 0.44 99.20 0.22 0.00 0.00 0.00 13 S H H 35.44 8.95 14.17 24.74 91.78 51.15 -63.59 -40.76 1.27 0.00 98.73 0.16 0.07 0.87 98.57 0.32 0.00 0.00 0.00 14 L H H 93.51 2.51 17.72 20.03 91.93 50.65 -64.51 -40.89 1.30 0.00 98.69 0.14 0.08 0.93 98.49 0.35 0.00 0.00 0.00 15 T H H 75.28 2.26 17.67 19.30 91.99 50.30 -64.89 -41.58 1.12 0.01 98.88 0.16 0.08 0.75 98.63 0.37 0.00 0.00 0.00 16 L H H 68.53 7.35 14.92 23.60 92.22 50.40 -64.73 -40.84 0.74 0.00 99.25 0.09 0.05 0.53 98.78 0.55 0.00 0.00 0.00 17 I H H 79.23 5.94 15.30 22.45 91.79 50.52 -64.84 -41.09 0.59 0.00 99.41 0.05 0.03 0.45 98.80 0.67 0.00 0.00 0.00 18 L H H 95.86 1.83 16.92 18.05 91.89 50.31 -64.29 -40.94 0.70 0.00 99.30 0.05 0.03 0.54 98.35 1.01 0.00 0.00 0.00 19 V H H 75.05 3.43 15.50 19.57 92.02 49.95 -65.59 -40.67 0.91 0.00 99.09 0.06 0.05 0.74 97.01 2.15 0.00 0.00 0.00 20 A H H 38.44 8.65 11.75 22.12 91.76 52.99 -65.94 -36.05 2.65 0.00 97.34 0.09 0.08 2.47 93.11 4.25 0.00 0.00 0.00 21 F H H 131.59 2.88 13.79 17.56 93.09 51.95 -71.21 -29.13 13.74 0.01 86.25 0.23 0.35 13.92 80.74 4.74 0.01 0.00 0.00 22 W H H 180.37 1.51 13.64 14.89 96.24 49.52 -83.85 -16.55 26.00 0.05 73.95 1.04 2.09 22.94 69.89 3.93 0.05 0.02 0.04 23 L C H 81.72 6.58 9.02 17.31 110.59 85.45 -84.00 130.28 54.89 0.91 44.20 20.40 21.49 14.02 25.71 17.29 0.07 0.34 0.68 24 P C C 89.52 3.57 11.68 16.75 104.95 -119.53 -69.84 107.16 52.67 0.72 46.61 27.94 7.19 17.19 20.62 26.30 0.01 0.37 0.38 25 Q C C 118.74 3.94 11.66 17.13 103.23 60.89 -82.88 31.48 52.50 1.59 45.91 28.65 7.80 16.01 19.42 26.54 0.01 0.82 0.75 26 M C C 102.26 6.67 10.93 19.05 106.70 100.79 -85.92 66.16 65.81 2.46 31.73 40.26 13.64 11.89 18.78 12.90 0.02 1.12 1.39 27 N C C 96.21 4.95 13.03 19.34 105.83 96.08 -89.68 80.80 78.92 1.83 19.24 56.65 10.30 11.40 12.90 6.79 0.00 0.92 1.03 28 L C C 88.48 7.25 11.87 20.52 101.60 148.67 -81.04 -15.01 72.34 1.58 26.08 34.46 17.88 20.81 16.52 8.68 0.02 0.67 0.96 29 Y C C 126.01 6.53 12.25 20.04 105.69 68.85 -88.54 34.92 72.18 1.60 26.21 35.40 16.59 21.06 16.45 8.78 0.02 0.66 1.04 30 S C C 59.63 5.56 12.82 19.82 107.05 72.44 -82.21 66.55 65.76 1.44 32.80 38.40 13.60 14.00 18.85 13.59 0.01 0.63 0.91 31 E C T 111.37 6.75 11.67 19.74 98.68 60.93 -74.28 -17.80 60.97 1.38 37.65 23.37 14.28 23.97 19.85 16.96 0.05 0.61 0.92 32 K C C 136.90 3.72 13.29 18.38 99.92 64.09 -78.60 -14.61 64.42 1.98 33.60 27.61 13.80 23.78 17.48 15.14 0.05 0.89 1.25 33 A C C 63.27 6.01 12.41 19.85 104.40 66.83 -85.15 3.86 79.16 1.63 19.21 39.46 27.75 12.84 10.93 7.09 0.01 0.59 1.32 34 N C C 70.13 8.27 12.86 22.48 112.32 34.53 -103.70 105.26 96.68 1.52 1.80 66.10 28.27 2.17 0.93 0.76 0.00 0.50 1.26 35 P C T 71.51 8.83 13.33 23.50 95.09 -163.44 -67.41 -19.37 83.16 1.21 15.63 27.81 17.02 39.30 4.19 10.35 0.00 0.53 0.78 36 Y C T 117.71 8.51 14.01 23.37 100.81 58.22 -90.40 4.56 75.38 4.93 19.68 24.99 15.41 36.12 5.53 12.74 0.07 2.40 2.72 37 E C C 96.75 7.80 14.29 23.15 104.03 73.35 -77.55 22.09 66.17 7.23 26.60 26.45 15.40 25.61 5.28 19.86 0.08 3.34 3.97 38 C C T 64.56 9.63 13.43 23.71 99.68 48.22 -85.28 8.51 77.28 2.51 20.21 11.65 12.28 52.62 3.48 17.15 0.01 1.33 1.48 39 G C T 46.89 5.35 16.33 22.69 98.75 -96.02 83.33 5.48 87.23 2.15 10.62 20.51 19.08 47.41 1.55 9.29 0.00 1.13 1.02 40 F C C 81.33 10.74 11.43 23.29 117.14 126.45 -92.67 137.76 88.59 9.51 1.90 58.83 25.73 3.21 0.70 1.18 0.00 3.08 7.27 41 D C C 81.75 5.22 14.81 21.41 110.52 -129.91 -91.50 116.43 96.19 3.29 0.51 84.46 10.43 1.17 0.20 0.29 0.00 1.56 1.88 42 P C T 76.75 8.99 10.88 21.18 96.22 -150.80 -66.45 -18.14 88.71 1.19 10.10 29.98 15.56 43.63 2.63 7.01 0.00 0.62 0.58 43 T C T 99.59 2.74 12.61 16.25 99.47 65.76 -83.99 -6.94 85.22 1.69 13.09 23.18 18.23 44.24 4.13 8.37 0.01 0.79 1.05 44 S C C 68.05 4.89 10.53 16.99 104.46 76.66 -86.45 29.62 77.07 1.89 21.03 38.52 21.88 17.01 5.65 14.78 0.00 0.79 1.36 45 S C C 71.67 5.07 10.74 17.23 104.74 76.42 -87.68 21.33 63.89 1.58 34.53 33.23 12.83 17.71 5.90 28.73 0.00 0.75 0.85 46 A C G 70.03 5.02 10.29 17.00 105.85 109.77 -81.41 60.46 64.34 1.51 34.16 23.20 15.97 25.92 5.09 28.27 0.01 0.72 0.82 47 R C C 163.30 2.89 11.90 16.31 106.81 76.84 -91.61 76.68 66.47 2.57 30.96 30.65 15.72 21.11 5.07 24.88 0.01 1.20 1.35 48 L C C 81.18 7.96 9.43 18.86 116.96 131.65 -95.94 134.35 92.43 2.09 5.48 48.76 40.97 2.90 3.57 1.57 0.00 0.64 1.59 49 P C C 92.08 3.59 13.29 18.22 105.53 -116.51 -68.16 130.99 84.06 1.73 14.20 43.25 21.87 19.59 8.51 5.02 0.00 0.76 1.00 50 F C C 117.32 7.29 10.77 19.21 109.77 -96.51 -89.76 113.18 77.02 3.84 19.15 38.80 19.47 19.62 12.34 5.87 0.04 1.55 2.31 51 S C C 51.47 6.23 12.35 20.19 111.73 157.07 -85.93 138.61 69.48 2.88 27.64 56.68 6.24 6.06 24.37 3.72 0.00 1.13 1.79 52 M H H 121.98 2.84 13.19 17.11 93.64 -128.66 -63.15 -34.47 8.22 0.06 91.72 2.44 1.67 4.31 90.10 1.42 0.01 0.02 0.03 53 K H H 117.67 3.71 15.22 19.97 92.03 56.05 -64.54 -39.64 3.36 0.02 96.62 0.64 0.37 2.23 95.71 1.02 0.00 0.01 0.00 54 F H H 65.36 10.98 13.56 25.51 92.24 51.34 -65.25 -41.03 0.74 0.00 99.26 0.16 0.07 0.44 98.79 0.54 0.00 0.00 0.00 55 F H H 96.87 6.28 16.36 23.62 92.06 50.77 -64.03 -41.28 0.18 0.00 99.82 0.04 0.01 0.09 99.75 0.10 0.00 0.00 0.00 56 L H H 85.91 3.39 18.90 22.31 91.90 50.09 -64.84 -41.46 0.14 0.00 99.86 0.03 0.01 0.08 99.83 0.05 0.00 0.00 0.00 57 V H H 48.32 9.25 17.39 27.76 92.13 50.08 -64.80 -42.02 0.10 0.00 99.90 0.02 0.01 0.05 99.90 0.02 0.00 0.00 0.00 58 A H H 29.85 10.95 16.58 28.74 91.56 51.28 -63.53 -41.42 0.07 0.00 99.92 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 59 I H H 86.62 3.74 20.75 24.28 91.88 49.49 -64.52 -41.80 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 60 T H H 52.00 6.49 19.13 26.46 91.71 50.06 -64.49 -41.83 0.14 0.00 99.86 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 61 F H H 58.10 13.10 17.17 30.67 91.82 50.54 -64.17 -41.71 0.18 0.00 99.82 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 62 L H H 72.20 7.56 19.01 27.01 91.71 50.85 -64.05 -41.21 0.22 0.00 99.78 0.01 0.01 0.17 99.70 0.11 0.00 0.00 0.00 63 L H H 85.78 3.48 20.64 23.85 91.79 49.87 -64.81 -41.63 0.45 0.00 99.55 0.02 0.01 0.37 99.39 0.21 0.00 0.00 0.00 64 F H H 62.13 10.49 17.98 29.30 92.08 49.91 -65.10 -41.53 0.80 0.00 99.20 0.07 0.04 0.59 99.06 0.24 0.00 0.00 0.00 65 D H H 46.32 12.26 17.09 29.87 91.77 51.26 -64.15 -41.20 0.77 0.00 99.23 0.09 0.04 0.49 99.10 0.27 0.00 0.00 0.00 66 L H H 85.60 4.15 20.18 23.94 91.83 50.39 -64.73 -41.10 0.61 0.00 99.39 0.05 0.03 0.44 98.96 0.52 0.00 0.00 0.00 67 E H H 81.77 6.16 19.01 25.90 92.07 50.38 -65.47 -40.35 1.15 0.00 98.85 0.09 0.05 0.88 98.08 0.90 0.00 0.00 0.00 68 I H H 43.28 13.26 15.94 29.80 92.23 50.01 -66.01 -39.71 1.59 0.00 98.40 0.10 0.08 1.29 96.45 2.08 0.00 0.00 0.00 69 A H H 47.89 8.49 16.58 25.94 91.63 54.49 -65.34 -36.40 3.71 0.01 96.28 0.19 0.17 3.20 89.37 7.04 0.01 0.01 0.00 70 L H H 103.15 3.58 18.24 22.08 92.99 53.60 -72.85 -25.01 14.68 0.02 85.30 0.30 0.45 14.37 76.78 8.05 0.03 0.01 0.02 71 L H H 71.37 9.58 15.22 25.55 95.45 56.23 -80.89 -17.24 27.32 0.11 72.57 1.25 1.99 23.76 64.79 7.96 0.10 0.05 0.09 72 L C T 70.45 11.26 14.38 26.01 102.04 79.67 -72.12 -22.69 65.71 0.80 33.49 7.58 12.90 44.54 25.63 8.25 0.10 0.34 0.66 73 P C T 68.47 6.45 16.51 23.75 96.33 52.44 -71.83 -16.05 62.03 0.33 37.64 16.97 6.29 38.73 27.65 9.94 0.01 0.14 0.27 74 L H H 72.55 8.41 15.06 24.58 95.13 76.84 -64.80 -39.76 22.19 0.25 77.56 7.87 4.21 9.86 56.67 21.12 0.03 0.11 0.13 75 P H H 62.85 6.74 15.56 23.48 93.34 54.10 -65.47 -34.61 16.59 0.17 83.24 3.99 1.93 9.30 61.01 23.59 0.02 0.10 0.07 76 W H H 126.96 5.59 15.85 22.36 93.03 52.57 -67.89 -35.28 11.41 0.17 88.42 2.35 1.43 6.57 63.83 25.62 0.03 0.11 0.06 77 A H H 41.05 8.95 12.80 23.22 93.03 56.68 -67.27 -33.04 15.64 0.43 83.94 4.51 2.47 7.98 63.48 21.11 0.05 0.27 0.13 78 I H H 90.89 6.43 13.34 21.05 94.77 57.08 -72.16 -25.12 31.33 1.30 67.37 8.61 5.53 17.09 50.17 17.08 0.24 0.75 0.54 79 Q H H 119.24 3.49 13.96 18.40 96.44 59.95 -78.08 -20.75 48.77 1.77 49.46 15.88 10.01 24.20 37.74 10.21 0.16 0.94 0.85 80 T C C 81.75 4.96 12.18 18.43 105.43 56.62 -94.40 8.91 70.63 2.32 27.05 37.37 17.05 16.37 21.84 5.18 0.03 1.05 1.12 81 I C C 100.60 6.30 11.00 18.69 109.38 104.05 -89.57 99.28 80.60 2.37 17.03 44.46 20.43 15.50 13.57 3.81 0.01 1.11 1.11 82 K C C 123.99 3.96 13.03 18.31 109.34 -131.61 -88.52 109.27 84.30 1.68 14.02 56.78 14.38 12.61 11.06 3.48 0.00 0.78 0.90 83 T C H 78.01 6.27 11.38 19.19 98.20 -140.49 -71.62 -26.11 50.66 0.87 48.47 28.61 10.26 12.19 44.60 3.55 0.01 0.35 0.42 84 S H H 73.53 2.67 14.48 17.57 95.01 57.90 -67.05 -33.80 34.27 0.47 65.26 15.81 6.73 12.46 61.86 2.71 0.02 0.20 0.21 85 T H H 67.12 4.30 14.99 20.31 93.84 53.53 -67.80 -38.61 12.80 0.22 86.99 6.21 2.18 4.75 84.83 1.84 0.01 0.11 0.07 86 M H H 58.04 10.70 13.46 25.20 93.03 52.47 -65.33 -40.47 3.97 0.05 95.97 1.75 0.54 1.67 95.01 0.98 0.00 0.03 0.01 87 M H H 83.21 7.41 16.53 24.81 92.60 51.48 -64.98 -40.82 1.58 0.02 98.40 0.62 0.17 0.73 97.91 0.56 0.00 0.01 0.00 88 I H H 91.97 2.84 19.61 22.00 92.16 50.06 -65.14 -41.58 0.70 0.00 99.29 0.21 0.06 0.37 99.04 0.32 0.00 0.00 0.00 89 M H H 72.93 6.94 18.54 26.42 92.14 49.79 -64.91 -41.51 0.47 0.00 99.53 0.12 0.03 0.26 99.40 0.18 0.00 0.00 0.00 90 A H H 23.68 13.41 15.80 30.17 91.63 51.15 -63.94 -41.46 0.30 0.00 99.70 0.05 0.02 0.18 99.65 0.10 0.00 0.00 0.00 91 F H H 101.98 6.24 19.79 26.37 91.98 50.74 -64.51 -41.28 0.16 0.00 99.84 0.02 0.01 0.10 99.81 0.06 0.00 0.00 0.00 92 I H H 88.18 3.36 21.10 24.03 91.81 49.74 -64.72 -42.36 0.09 0.00 99.91 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 93 L H H 53.27 10.63 18.72 29.98 91.96 49.52 -65.03 -42.12 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 94 V H H 43.39 13.33 17.95 31.52 92.11 49.65 -64.34 -41.93 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 95 T H H 66.50 5.17 20.82 25.97 91.86 50.14 -64.38 -41.97 0.15 0.00 99.85 0.01 0.01 0.11 99.82 0.06 0.00 0.00 0.00 96 I H H 84.90 4.64 21.55 26.18 91.94 48.72 -65.35 -42.10 0.21 0.00 99.79 0.01 0.01 0.16 99.72 0.10 0.00 0.00 0.00 97 L H H 47.90 13.24 18.69 32.03 92.20 48.91 -65.26 -41.17 0.50 0.00 99.50 0.02 0.02 0.42 99.37 0.17 0.00 0.00 0.00 98 S H H 38.23 10.90 19.22 30.42 91.91 51.08 -64.32 -41.40 1.14 0.00 98.86 0.07 0.05 0.93 98.68 0.26 0.00 0.00 0.00 99 L H H 87.98 3.78 22.55 25.65 91.82 50.16 -64.50 -41.51 1.11 0.00 98.89 0.07 0.06 0.90 98.61 0.36 0.00 0.00 0.00 100 G H H 22.65 7.54 19.34 28.10 91.72 50.98 -63.85 -42.30 1.22 0.00 98.78 0.12 0.07 0.90 98.51 0.40 0.00 0.00 0.00 101 L H H 49.06 12.21 18.71 31.33 92.17 49.96 -64.44 -41.37 0.94 0.00 99.06 0.09 0.06 0.68 98.79 0.38 0.00 0.00 0.00 102 A H H 43.91 7.16 19.12 26.86 91.72 51.32 -63.46 -42.19 0.80 0.00 99.20 0.09 0.05 0.54 98.92 0.39 0.00 0.00 0.00 103 Y H H 113.76 3.46 20.07 23.40 91.89 49.82 -64.74 -41.78 0.97 0.01 99.03 0.11 0.07 0.70 98.55 0.57 0.00 0.00 0.00 104 E H H 53.43 8.75 15.94 26.23 92.04 50.37 -64.28 -41.35 1.63 0.02 98.36 0.19 0.12 1.21 97.61 0.85 0.00 0.01 0.00 105 W H H 90.92 9.08 14.32 24.67 92.49 49.60 -65.64 -40.60 3.88 0.03 96.09 0.48 0.33 2.93 95.00 1.21 0.02 0.02 0.01 106 T H H 80.81 4.27 15.06 19.84 93.27 48.89 -68.51 -36.44 9.87 0.07 90.06 1.09 0.93 7.77 88.84 1.27 0.03 0.03 0.03 107 Q H H 111.36 3.08 13.95 17.86 95.71 50.12 -78.91 -21.81 33.09 0.29 66.62 2.85 4.10 26.40 64.19 2.04 0.12 0.11 0.18 108 K C T 130.32 3.94 13.05 18.04 99.40 37.24 -87.52 5.14 65.13 0.43 34.45 4.79 8.22 50.50 32.99 2.97 0.05 0.16 0.30 109 G C T 44.90 4.83 12.76 18.93 101.30 -110.64 72.66 8.32 84.14 1.23 14.63 26.86 14.64 43.57 8.72 5.02 0.01 0.61 0.58 110 L C C 86.62 9.12 9.62 19.58 105.95 123.59 -85.57 73.63 78.67 7.67 13.65 51.70 14.04 13.45 6.28 7.12 0.01 5.21 2.18 111 E C C 129.93 2.72 13.36 17.33 113.43 135.54 -97.28 123.16 74.53 15.05 10.42 55.94 9.81 8.85 4.68 5.40 0.01 12.97 2.33 112 W C C 142.11 8.15 8.36 17.68 110.85 -148.13 -91.75 119.95 78.78 15.33 5.89 63.76 7.76 6.66 2.65 2.98 0.00 14.03 2.16 113 T C C 90.49 3.63 10.30 15.82 119.66 116.02 -104.70 142.00 88.11 9.83 2.06 83.52 1.12 3.86 0.86 0.70 0.00 8.63 1.33 114 E C C 142.03 3.08 12.07 16.83 109.64 -120.65 -84.95 126.18 99.78 0.21 0.01 99.76 0.06 0.02 0.00 0.00 0.00 0.15 0.01