# 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 V C C 78.43 9.27 12.35 22.54 117.95 -170.30 -102.95 132.73 99.48 0.49 0.03 99.45 0.15 0.05 0.01 0.00 0.00 0.30 0.04 1 S C C 82.97 2.76 12.90 17.18 117.22 -145.42 -98.10 133.57 84.74 14.51 0.75 82.47 1.58 1.06 0.42 0.25 0.00 9.71 4.51 2 I C C 77.99 10.69 7.87 19.01 117.36 -154.15 -100.80 134.58 87.31 11.94 0.75 69.49 16.69 1.21 0.44 0.35 0.00 8.59 3.23 3 S C C 60.55 3.17 13.22 17.50 114.97 -109.85 -70.60 153.24 94.26 3.67 2.06 88.38 4.77 1.30 1.58 0.47 0.00 2.32 1.18 4 Q H H 130.69 3.10 11.24 16.11 93.22 -111.17 -60.86 -35.26 32.10 0.79 67.11 11.98 6.77 14.56 50.61 15.24 0.07 0.42 0.35 5 S H H 73.04 2.49 13.10 16.39 93.88 55.44 -67.77 -36.09 30.21 0.63 69.15 8.77 5.39 16.25 53.01 15.87 0.08 0.36 0.29 6 D H H 71.89 6.14 12.96 20.44 94.02 51.60 -70.00 -33.99 23.85 0.99 75.16 10.73 4.69 9.34 57.03 17.20 0.06 0.60 0.36 7 A H H 47.13 7.75 12.16 21.40 93.96 56.30 -66.77 -37.13 23.04 1.21 75.75 12.49 4.95 7.55 63.43 10.39 0.06 0.72 0.40 8 S H H 66.47 4.12 14.85 19.94 94.35 55.98 -69.59 -30.14 28.56 2.21 69.22 14.74 5.10 10.58 57.50 9.83 0.09 1.50 0.64 9 L H H 98.79 5.37 13.63 20.16 96.16 58.14 -75.61 -20.17 32.66 3.63 63.72 15.50 6.45 12.89 52.19 9.30 0.19 2.42 1.05 10 A C H 62.90 7.11 12.79 21.02 101.36 74.91 -77.42 -5.43 47.70 5.49 46.81 24.29 9.41 15.96 39.41 5.75 0.14 3.27 1.77 11 A C C 74.18 4.52 13.52 19.39 102.81 73.15 -83.54 10.31 66.19 7.07 26.74 34.27 14.49 17.98 22.40 4.33 0.10 4.16 2.27 12 V C C 75.99 7.54 11.14 20.21 116.51 96.09 -95.00 133.45 84.94 6.32 8.74 53.12 28.65 3.41 7.70 1.60 0.01 3.40 2.10 13 P C C 82.14 4.74 13.95 20.08 111.76 -107.93 -67.55 147.47 81.57 4.82 13.61 70.31 5.42 5.32 10.65 3.42 0.00 3.41 1.47 14 A C C 66.54 6.63 11.70 19.70 108.86 -110.32 -72.91 137.27 68.01 5.30 26.69 47.74 11.22 8.60 16.59 10.64 0.01 3.24 1.96 15 V C C 89.69 6.50 11.60 19.40 105.02 -127.74 -79.99 66.22 55.45 7.93 36.62 34.77 11.52 9.58 19.73 16.90 0.06 5.24 2.19 16 D C C 97.09 4.33 12.95 18.66 103.07 76.62 -82.97 14.30 56.93 8.29 34.78 37.46 9.72 9.80 16.48 18.54 0.04 5.95 1.99 17 Q C C 109.29 5.81 12.90 20.00 102.83 84.16 -87.59 19.80 59.92 11.65 28.44 38.10 10.34 11.66 13.16 15.36 0.07 8.17 3.14 18 F C C 110.76 8.22 11.60 20.88 107.26 92.91 -94.05 61.03 67.31 16.32 16.38 40.90 17.24 9.47 9.02 7.18 0.19 8.51 7.50 19 D C C 69.92 6.58 11.78 20.09 110.79 103.46 -98.93 111.64 92.71 6.09 1.20 70.30 20.59 1.74 0.62 0.58 0.00 3.44 2.73 20 P C T 89.20 5.69 10.92 18.61 95.22 -155.76 -64.66 -21.23 79.64 2.00 18.37 31.98 10.46 37.86 3.52 14.20 0.00 1.16 0.81 21 S C T 85.28 2.07 11.90 14.93 97.59 62.98 -79.61 -11.32 76.99 2.50 20.51 19.48 14.83 43.33 3.93 15.80 0.02 1.37 1.25 22 S C T 68.37 5.10 10.64 17.22 101.05 67.50 -86.39 0.39 74.99 3.59 21.42 25.55 24.22 26.57 3.82 16.08 0.02 1.61 2.13 23 G C C 51.40 3.89 12.43 17.81 103.69 -105.72 79.98 5.88 85.41 3.12 11.47 37.36 22.31 26.25 2.60 8.39 0.01 1.45 1.63 24 A C C 66.46 6.09 10.86 18.53 112.03 122.53 -84.50 128.93 83.87 5.57 10.56 43.17 21.49 19.42 2.19 8.31 0.01 2.67 2.76 25 S C C 79.62 3.75 12.52 17.88 115.87 -147.82 -97.59 135.63 84.18 6.82 8.99 37.52 22.35 24.96 1.77 7.01 0.01 3.42 2.95 26 G C C 44.92 5.56 13.15 20.15 116.10 -17.54 102.48 -13.56 88.36 5.26 6.39 37.83 23.01 27.89 0.99 5.56 0.00 2.97 1.74 27 G C C 44.25 6.64 13.43 21.18 117.92 -108.60 -124.05 167.00 83.46 10.55 5.99 49.67 19.91 13.82 1.19 5.31 0.01 6.47 3.61 28 Y C C 120.33 9.33 11.80 21.97 118.15 -132.99 -102.23 136.96 77.64 18.47 3.89 51.19 18.28 7.78 1.17 3.07 0.01 10.91 7.59 29 D C C 103.58 4.26 15.18 20.71 109.78 -141.62 -90.62 109.45 86.89 11.48 1.63 60.07 22.88 3.90 0.49 1.29 0.00 7.56 3.81 30 T C C 62.61 10.22 11.97 23.06 117.52 -151.75 -99.56 132.98 94.17 5.03 0.81 71.93 20.72 1.62 0.31 0.53 0.00 3.11 1.78 31 P C C 73.23 7.80 13.08 22.19 109.17 -112.26 -67.00 142.13 88.52 3.90 7.58 62.31 9.96 15.63 1.38 6.87 0.00 2.42 1.42 32 L C T 109.69 6.20 12.99 20.51 109.49 -122.83 -82.92 119.42 85.91 4.81 9.29 26.38 17.62 42.31 1.54 7.57 0.01 2.69 1.88 33 G C T 47.12 5.25 14.80 21.15 107.85 15.37 90.06 -2.46 86.74 5.21 8.05 30.59 20.04 36.81 1.18 6.72 0.01 3.08 1.58 34 I C C 77.80 11.37 11.33 23.15 114.13 119.37 -92.96 127.02 82.94 11.93 5.13 53.13 18.52 10.81 1.42 3.95 0.01 6.23 5.94 35 T C C 86.00 5.72 15.63 22.51 108.81 -153.78 -96.41 46.01 86.44 10.61 2.94 43.58 32.99 10.56 0.82 2.20 0.01 5.95 3.89 36 N C S 83.08 9.49 15.11 25.31 114.88 44.82 -110.50 111.76 95.31 4.45 0.25 35.79 59.07 1.16 0.08 0.14 0.00 2.55 1.21 37 P C C 43.56 11.15 14.72 27.16 116.40 -125.90 -68.81 153.41 98.29 1.46 0.26 85.93 11.87 0.64 0.15 0.09 0.00 0.85 0.48 38 P C C 58.74 6.27 19.58 26.72 111.18 -101.34 -65.78 144.66 92.22 5.96 1.82 89.45 1.93 0.79 1.53 0.28 0.00 1.79 4.23 39 I H H 41.49 18.61 12.63 30.67 93.05 -121.08 -61.05 -37.96 7.60 0.17 92.23 3.17 1.76 3.55 85.94 5.37 0.03 0.08 0.09 40 D H H 89.03 4.55 17.78 23.36 91.94 55.86 -63.83 -38.83 3.48 0.05 96.47 0.71 0.43 2.20 90.05 6.56 0.01 0.03 0.01 41 E H H 99.69 2.91 18.87 21.56 92.27 49.91 -66.97 -38.66 2.04 0.04 97.92 0.39 0.22 1.31 90.37 7.68 0.00 0.03 0.00 42 L H H 18.42 17.10 12.99 30.56 92.60 52.04 -65.76 -41.04 2.43 0.04 97.53 0.48 0.29 1.54 91.60 6.04 0.01 0.03 0.01 43 L H H 52.04 13.92 13.25 27.48 91.61 54.95 -66.27 -32.32 6.76 0.09 93.15 0.92 0.62 4.94 83.71 9.68 0.04 0.06 0.03 44 D H H 118.59 1.14 18.38 18.26 92.14 55.13 -72.22 -23.03 22.04 0.09 77.87 1.05 1.34 19.49 70.81 7.14 0.07 0.05 0.06 45 R H H 139.05 4.29 16.28 21.47 98.51 44.08 -92.31 -19.37 30.29 0.15 69.55 1.79 3.06 25.37 65.05 4.45 0.09 0.06 0.12 46 V C C 27.99 17.26 8.28 24.76 127.01 53.71 -122.66 144.97 79.30 1.63 19.07 54.96 15.37 6.91 19.61 1.27 0.01 0.45 1.43 47 S C S 92.63 1.45 18.15 19.19 96.53 -153.62 -82.48 -20.51 98.46 0.50 1.05 44.34 49.00 5.18 0.72 0.31 0.00 0.19 0.27 48 S C S 43.53 6.39 19.98 27.15 136.47 24.83 -140.78 159.55 96.25 1.87 1.88 31.32 63.52 1.24 1.67 0.26 0.00 0.40 1.58 49 K H H 75.09 16.80 16.80 32.77 92.03 -115.33 -61.45 -36.81 2.64 0.01 97.35 0.38 0.51 1.61 97.00 0.48 0.00 0.00 0.00 50 Y H H 97.66 11.85 21.77 33.32 91.55 55.41 -62.94 -40.67 1.57 0.00 98.42 0.19 0.14 1.15 97.99 0.52 0.00 0.00 0.00 51 A H H 26.66 9.66 23.18 33.90 91.47 50.75 -64.70 -41.31 0.32 0.00 99.67 0.07 0.03 0.19 99.38 0.34 0.00 0.00 0.00 52 L H H 9.45 21.44 21.01 42.14 91.16 51.38 -63.56 -43.12 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.04 0.00 0.00 0.00 53 V H H 14.89 20.35 23.67 43.22 91.55 50.15 -64.04 -42.95 0.05 0.00 99.95 0.01 0.00 0.03 99.96 0.01 0.00 0.00 0.00 54 I H H 59.21 9.50 27.44 37.59 91.59 49.68 -63.83 -42.80 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 55 Y H H 40.94 14.09 26.55 40.94 91.74 49.25 -64.09 -42.98 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 56 A H H 3.56 23.33 23.38 46.44 91.49 50.49 -63.97 -42.98 0.05 0.00 99.95 0.00 0.00 0.04 99.96 0.00 0.00 0.00 0.00 57 A H H 18.54 15.62 24.49 39.99 91.54 51.62 -63.27 -42.54 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.00 0.00 0.00 0.00 58 K H H 91.44 6.11 28.34 35.25 91.58 49.91 -63.76 -42.16 0.15 0.00 99.85 0.01 0.01 0.10 99.88 0.01 0.00 0.00 0.00 59 R H H 41.10 15.97 24.55 40.03 91.90 49.56 -64.98 -41.65 0.15 0.00 99.85 0.01 0.01 0.09 99.88 0.01 0.00 0.00 0.00 60 A H H 7.81 20.75 20.09 40.76 91.30 52.03 -62.57 -42.43 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 61 R H H 116.37 5.71 25.58 31.66 91.50 50.72 -63.48 -41.76 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.04 0.00 0.00 0.00 62 Q H H 77.17 6.14 24.41 30.86 91.63 49.95 -64.22 -42.07 0.44 0.00 99.56 0.04 0.02 0.31 99.57 0.06 0.00 0.00 0.00 63 I H H 15.45 18.83 18.67 37.77 91.77 49.41 -64.14 -42.50 0.69 0.00 99.31 0.10 0.05 0.44 99.29 0.12 0.00 0.00 0.00 64 N H H 48.75 12.01 19.74 32.12 91.47 51.42 -63.42 -41.32 1.54 0.00 98.46 0.26 0.11 1.00 98.29 0.33 0.00 0.00 0.00 65 D H H 78.77 2.50 22.54 23.75 91.78 49.69 -65.00 -40.45 3.66 0.02 96.32 0.50 0.29 2.64 95.78 0.75 0.01 0.01 0.01 66 Y H H 70.16 8.63 18.13 28.10 92.41 49.22 -65.93 -41.07 5.12 0.07 94.81 0.97 0.59 3.49 93.61 1.26 0.02 0.04 0.02 67 Y H H 47.51 14.99 13.57 28.91 92.42 51.24 -64.82 -40.45 7.85 0.24 91.91 2.42 1.20 4.66 89.21 2.26 0.04 0.14 0.07 68 N H H 102.45 3.13 16.32 20.28 92.53 51.83 -65.99 -35.71 14.43 0.31 85.26 3.14 1.71 9.92 81.55 3.31 0.07 0.20 0.10 69 Q H H 125.18 1.82 15.70 17.41 94.16 51.10 -72.18 -29.68 22.66 0.41 76.93 3.84 3.12 16.43 72.61 3.45 0.14 0.21 0.20 70 L H H 76.53 8.23 11.46 20.87 97.39 51.63 -83.67 -16.66 45.67 1.44 52.88 10.92 10.84 26.10 47.04 3.46 0.25 0.58 0.81 71 G C T 44.87 4.22 13.63 19.12 109.80 -116.54 76.73 3.38 76.82 1.33 21.84 32.40 9.79 34.89 15.60 5.95 0.01 0.68 0.69 72 E C T 135.22 3.38 12.59 17.32 102.48 -25.10 -79.78 9.56 71.14 1.34 27.52 17.37 14.72 39.23 15.76 11.39 0.04 0.65 0.85 73 G C T 43.77 4.82 13.87 19.83 104.40 34.14 44.30 -13.67 70.81 1.70 27.50 21.11 15.09 35.31 15.09 11.60 0.04 0.83 0.93 74 I C C 79.97 8.63 12.46 22.16 103.29 91.52 -81.84 -1.17 57.69 5.77 36.54 34.08 11.42 12.71 22.71 13.57 0.05 3.64 1.82 75 L C C 76.10 10.50 12.32 23.32 104.37 77.44 -83.72 22.41 49.06 14.06 36.89 29.92 9.52 10.10 22.42 14.52 0.11 10.81 2.60 76 E C C 116.40 5.29 15.19 21.58 104.41 109.25 -84.10 18.74 47.70 19.16 33.15 29.45 8.73 9.85 20.12 13.23 0.14 15.91 2.58 77 Y C C 127.56 7.75 13.46 22.07 104.23 80.13 -90.27 7.02 51.02 22.26 26.72 31.11 9.66 10.46 17.71 9.56 0.21 17.76 3.54 78 V C C 76.49 9.19 13.08 23.02 107.15 85.81 -96.25 21.10 63.90 19.22 16.88 37.12 15.33 11.44 12.81 4.86 0.20 14.03 4.21 79 G C C 32.02 7.60 15.07 23.64 126.63 -100.34 137.68 -134.20 84.52 9.47 6.01 42.89 26.81 15.78 2.32 3.48 0.01 6.62 2.09 80 P C C 82.12 6.13 15.56 22.70 104.29 -33.52 -70.64 91.46 85.78 4.41 9.81 34.40 21.62 30.86 3.00 6.09 0.01 2.75 1.28 81 L C C 83.17 10.07 14.95 25.34 100.73 69.35 -83.36 -10.05 73.91 15.44 10.65 32.57 19.38 23.86 3.72 6.35 0.08 9.63 4.41 82 V C C 49.46 14.46 11.60 25.99 114.76 73.34 -101.38 121.85 72.71 19.41 7.88 44.30 21.13 7.27 3.85 4.29 0.05 10.65 8.46 83 E C C 107.37 5.71 15.15 22.20 116.77 -149.16 -93.96 135.28 91.21 5.76 3.03 70.56 17.90 2.73 1.74 1.40 0.00 3.69 2.00 84 P C T 92.67 5.35 13.43 20.25 105.60 -108.15 -65.74 129.18 77.11 1.85 21.04 23.91 11.69 42.00 7.16 13.34 0.01 1.07 0.82 85 G C T 46.89 4.80 15.44 21.19 100.18 30.37 67.66 -8.44 75.10 1.37 23.52 23.07 11.61 40.81 7.67 15.36 0.01 0.73 0.74 86 L C C 59.45 13.45 11.36 24.75 99.63 89.40 -78.36 -14.03 65.10 2.06 32.83 34.93 12.40 17.81 8.78 23.98 0.01 1.01 1.07 87 Q C C 99.86 8.69 14.53 23.86 102.14 75.58 -82.46 3.12 71.59 2.24 26.18 37.43 13.56 20.98 8.11 17.61 0.01 1.06 1.23 88 E C C 117.42 5.41 16.49 22.88 102.39 86.78 -84.71 -13.71 79.59 1.94 18.48 38.84 26.77 14.35 6.94 10.97 0.01 0.80 1.32 89 K C C 92.82 8.51 19.40 28.30 117.55 42.13 -97.60 132.57 96.95 0.83 2.21 65.05 30.87 0.86 2.06 0.32 0.00 0.23 0.61 90 P H H 31.50 18.49 18.38 36.46 92.90 -130.73 -59.42 -37.92 5.01 0.03 94.96 1.25 0.75 2.92 94.30 0.76 0.01 0.01 0.01 91 L H H 24.89 20.62 20.80 40.41 92.04 53.71 -64.48 -39.10 2.75 0.02 97.23 0.49 0.24 1.81 96.73 0.71 0.00 0.01 0.00 92 S H H 31.56 9.55 24.15 34.39 91.66 50.92 -64.70 -41.29 1.33 0.03 98.65 0.46 0.13 0.68 97.97 0.73 0.00 0.02 0.00 93 I H H 26.77 12.91 23.97 37.65 91.65 50.27 -64.10 -42.69 0.16 0.00 99.84 0.04 0.01 0.07 99.79 0.09 0.00 0.00 0.00 94 A H H 3.31 23.28 20.91 44.32 91.31 50.87 -63.24 -43.96 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.03 0.00 0.00 0.00 95 L H H 32.28 16.45 23.32 39.23 91.56 50.34 -63.32 -42.23 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 96 R H H 101.58 6.48 25.32 32.14 91.69 49.86 -64.35 -41.58 0.06 0.01 99.94 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 97 E H H 26.20 14.19 19.57 34.67 91.77 49.72 -64.77 -42.18 0.16 0.01 99.83 0.01 0.01 0.11 99.80 0.06 0.00 0.01 0.00 98 I H H 20.84 18.63 16.56 35.18 92.00 48.97 -64.20 -43.18 0.51 0.01 99.49 0.03 0.02 0.41 99.39 0.14 0.00 0.00 0.00 99 H H H 106.80 7.56 18.30 26.70 90.84 50.93 -65.28 -33.25 4.12 0.01 95.87 0.10 0.11 4.03 95.53 0.21 0.01 0.00 0.00 100 A C T 60.56 4.76 16.69 22.60 92.70 52.18 -84.87 -2.69 88.02 0.03 11.96 0.23 1.07 85.56 12.77 0.34 0.00 0.00 0.03 101 D C T 105.75 5.03 16.86 23.46 93.50 -118.73 61.42 33.97 99.15 0.02 0.83 0.66 1.52 97.23 0.49 0.09 0.00 0.01 0.01 102 L C S 51.23 11.75 16.18 29.13 95.30 134.12 -83.56 -18.28 97.86 1.56 0.58 39.63 54.73 3.77 0.18 0.36 0.00 1.00 0.33 103 L E E 16.56 22.83 12.23 34.45 127.02 47.55 -123.54 140.29 47.51 51.69 0.80 27.94 20.18 2.81 0.27 0.61 0.01 44.79 3.40 104 E E E 105.80 5.01 23.20 29.05 125.58 -168.32 -122.77 139.86 26.98 72.55 0.47 24.32 2.39 0.51 0.19 0.27 0.00 70.58 1.72 105 H E E 72.28 17.86 13.28 30.09 120.05 -145.86 -106.07 133.85 30.39 69.22 0.40 28.18 1.68 0.39 0.16 0.22 0.00 67.72 1.66 106 T E E 66.73 7.03 15.27 23.74 123.21 -171.71 -118.83 139.44 47.43 51.54 1.03 40.88 4.45 1.72 0.32 0.75 0.00 50.11 1.78 107 E C C 135.11 4.14 11.50 17.86 114.52 -140.24 -93.43 131.11 64.20 33.73 2.07 40.42 13.62 11.18 0.40 1.72 0.01 31.02 1.63 108 G C C 52.59 2.83 11.59 15.90 113.29 30.71 97.57 -156.19 88.29 10.51 1.21 72.62 4.73 10.13 0.23 0.90 0.00 10.50 0.89 109 E C C 142.76 2.59 12.05 16.08 110.68 -63.07 -87.14 118.88 99.65 0.31 0.03 99.50 0.17 0.08 0.01 0.01 0.00 0.21 0.03