# 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 G C C 35.98 8.35 14.84 23.93 116.73 -135.89 77.26 -97.70 99.92 0.05 0.03 99.81 0.09 0.06 0.01 0.00 0.00 0.02 0.01 1 A C C 68.91 5.33 12.73 19.27 104.69 -47.38 -80.53 -10.44 81.02 2.04 16.94 72.62 1.74 7.27 13.34 2.92 0.00 0.99 1.11 2 H C C 110.96 5.26 11.09 17.77 105.30 77.88 -83.36 70.58 66.81 4.23 28.96 45.81 9.51 11.50 22.11 6.84 0.02 2.06 2.15 3 L H H 92.77 6.53 12.09 19.83 97.25 89.50 -70.67 -30.46 40.63 2.95 56.42 19.84 8.24 13.36 37.94 17.73 0.09 1.74 1.07 4 A H H 58.96 6.77 12.12 20.18 96.11 64.33 -70.91 -29.00 31.77 2.29 65.94 13.20 6.24 12.27 43.65 22.32 0.11 1.52 0.70 5 R H H 132.95 4.39 13.17 18.77 96.32 62.57 -71.92 -28.63 26.98 3.18 69.84 12.95 5.34 8.78 45.04 24.82 0.08 2.27 0.72 6 R H H 121.10 5.53 12.97 19.91 96.00 69.32 -70.53 -31.31 30.51 5.31 64.18 15.93 5.88 9.25 43.29 20.40 0.14 3.91 1.20 7 Y H H 108.39 8.02 11.46 20.62 98.95 53.31 -81.87 -19.36 36.54 8.32 55.14 17.75 7.38 13.22 38.52 14.56 0.48 5.28 2.82 8 L C T 103.13 5.37 11.93 18.62 101.21 56.09 -79.27 -15.19 60.54 3.23 36.23 12.37 11.50 36.24 28.35 7.87 0.33 2.00 1.34 9 G C T 56.26 2.27 13.48 16.45 100.74 19.78 -81.41 -18.27 82.63 1.10 16.28 12.92 23.02 47.16 11.81 3.90 0.02 0.57 0.59 10 D C C 73.17 5.45 11.29 18.47 110.75 46.73 -116.50 101.23 97.06 2.24 0.70 77.22 18.16 1.44 0.27 0.45 0.00 0.96 1.49 11 A C T 71.28 6.55 10.20 18.67 95.44 -163.88 -66.69 -19.80 74.94 0.69 24.37 6.79 7.96 57.62 1.00 25.96 0.00 0.40 0.28 12 S C T 87.99 1.87 14.81 16.93 94.08 64.65 -82.70 -6.88 75.50 0.70 23.80 5.51 8.43 59.23 0.95 25.19 0.00 0.43 0.26 13 V C C 60.32 9.18 11.98 22.74 110.88 79.88 -96.64 112.47 72.64 4.08 23.28 36.29 21.27 13.76 1.65 23.02 0.00 1.99 2.02 14 E C C 100.96 7.53 16.00 25.03 122.93 -169.36 -112.81 138.36 97.41 2.38 0.21 59.13 38.17 0.42 0.08 0.11 0.00 1.00 1.11 15 P C C 32.37 17.59 11.35 28.60 115.75 -107.21 -66.75 149.52 96.81 3.08 0.11 90.30 6.04 0.30 0.04 0.06 0.00 1.03 2.24 16 E C C 98.16 4.73 18.12 23.67 108.11 -119.27 -86.52 114.72 99.00 0.93 0.07 97.34 1.48 0.14 0.02 0.04 0.00 0.25 0.73 17 P C T 66.73 12.52 10.52 23.61 93.32 -154.70 -64.18 -20.48 93.70 0.17 6.13 4.69 6.01 81.37 0.14 7.64 0.00 0.10 0.07 18 L C T 126.69 2.23 14.08 16.96 93.77 60.36 -84.19 -7.77 93.67 0.16 6.17 2.94 7.62 81.64 0.13 7.51 0.00 0.10 0.06 19 R C S 141.64 3.28 13.75 18.50 118.75 79.66 -99.35 138.60 95.87 0.82 3.31 31.99 60.36 2.94 0.26 3.46 0.00 0.29 0.71 20 M C C 122.40 5.27 13.28 20.46 116.25 -113.31 -71.67 143.81 99.59 0.34 0.08 91.69 7.65 0.24 0.02 0.05 0.00 0.12 0.24 21 P C C 36.78 17.06 9.05 25.45 114.58 -106.87 -65.70 146.49 99.19 0.58 0.23 97.45 1.25 0.58 0.05 0.12 0.00 0.19 0.37 22 T C S 111.97 1.59 17.56 18.85 96.49 -148.12 -85.30 -13.81 99.18 0.68 0.14 46.88 50.67 1.62 0.03 0.10 0.00 0.21 0.48 23 F C S 75.70 10.50 10.99 22.89 120.36 79.93 -103.16 134.96 98.26 1.67 0.07 18.74 79.14 0.31 0.02 0.02 0.00 0.31 1.45 24 P C C 64.14 6.35 15.36 23.10 111.93 -107.24 -66.89 141.94 99.74 0.16 0.10 97.37 2.13 0.26 0.02 0.05 0.00 0.05 0.11 25 P C T 68.53 10.63 11.68 23.30 93.75 -132.63 -63.84 -20.39 81.01 0.26 18.72 6.36 4.97 66.25 0.82 21.27 0.00 0.13 0.18 26 D C T 92.99 5.28 15.36 21.89 95.56 62.39 -83.28 2.60 76.51 0.48 23.01 4.23 4.83 64.91 1.52 23.93 0.00 0.25 0.32 27 Y C T 106.76 9.15 12.45 22.77 107.43 129.54 -70.68 117.15 78.72 0.50 20.78 3.34 8.46 63.94 1.05 22.62 0.00 0.25 0.34 28 G C T 46.10 4.69 15.07 20.83 99.00 -4.58 88.76 -3.00 94.06 0.27 5.67 7.18 11.35 74.68 0.54 5.93 0.00 0.14 0.18 29 F C C 51.31 13.70 7.80 21.50 108.26 99.46 -98.69 100.19 96.92 1.93 1.15 72.10 22.83 1.39 0.37 0.71 0.00 0.49 2.12 30 P C T 110.85 1.59 13.06 15.32 94.77 -162.77 -65.78 -25.65 93.43 0.53 6.04 14.47 13.18 64.70 0.51 6.55 0.00 0.27 0.32 31 E C T 152.30 1.16 13.65 14.47 97.40 48.43 -89.27 7.50 93.08 0.48 6.43 12.52 14.55 64.98 0.55 6.87 0.00 0.25 0.26 32 R C C 79.53 14.64 6.99 20.57 116.59 122.03 -80.31 138.33 95.10 1.36 3.55 75.33 16.91 2.50 0.84 2.75 0.00 0.46 1.22 33 K C C 135.93 2.39 15.51 18.73 119.15 -135.97 -90.49 145.84 97.28 2.14 0.58 93.96 2.99 0.47 0.21 0.26 0.00 0.81 1.31 34 E C C 129.12 5.07 13.94 21.04 113.60 -103.59 -70.31 139.20 94.36 5.29 0.35 93.25 1.46 0.25 0.14 0.13 0.00 1.69 3.09 35 R C C 95.14 12.78 10.33 23.32 117.26 -127.82 -86.65 140.89 97.04 2.73 0.22 95.76 1.52 0.21 0.09 0.08 0.00 1.00 1.34 36 E C C 128.79 3.89 16.97 22.15 116.42 -136.60 -91.19 139.20 97.61 2.24 0.15 95.61 2.20 0.19 0.06 0.06 0.00 1.04 0.84 37 M C C 72.76 14.91 13.08 27.72 114.50 -118.33 -79.17 135.75 96.54 3.29 0.17 94.84 2.05 0.23 0.07 0.07 0.00 1.78 0.97 38 V C C 74.57 8.64 20.27 29.15 111.41 -160.16 -101.07 109.22 89.64 10.06 0.30 85.30 4.11 0.27 0.20 0.10 0.00 3.90 6.12 39 A C C 11.54 21.49 11.90 32.78 121.51 -20.13 -100.57 141.13 97.30 2.52 0.18 92.20 5.20 0.17 0.12 0.05 0.00 1.13 1.12 40 T C C 57.10 4.46 22.05 26.27 124.51 -132.57 -87.51 165.54 98.59 1.09 0.32 98.00 0.81 0.10 0.25 0.03 0.00 0.34 0.47 41 Q H H 99.21 10.05 14.37 25.23 91.43 -104.99 -58.57 -37.89 1.36 0.00 98.64 0.30 0.22 0.63 98.63 0.22 0.00 0.00 0.00 42 Q H H 121.81 1.30 19.71 19.27 91.42 53.69 -63.02 -40.44 0.66 0.00 99.34 0.12 0.06 0.37 99.22 0.23 0.00 0.00 0.00 43 E H H 50.53 10.60 16.36 28.26 92.12 49.37 -65.64 -40.46 0.28 0.00 99.72 0.05 0.02 0.15 99.51 0.27 0.00 0.00 0.00 44 M H H 11.11 20.94 11.71 32.59 91.64 50.45 -63.70 -42.67 0.34 0.00 99.66 0.06 0.02 0.18 99.48 0.26 0.00 0.00 0.00 45 N H H 97.39 3.81 18.35 23.04 91.71 49.97 -64.44 -40.13 1.45 0.00 98.55 0.08 0.05 1.18 98.23 0.46 0.00 0.00 0.00 46 D H H 102.73 2.25 18.62 20.81 91.37 52.51 -66.59 -29.44 8.00 0.00 91.99 0.14 0.19 7.98 91.16 0.53 0.00 0.00 0.00 47 A C T 23.53 15.86 12.93 29.14 94.22 55.16 -83.25 -2.71 80.37 0.02 19.61 0.61 1.72 77.31 19.51 0.83 0.00 0.01 0.02 48 Q C T 138.18 2.19 20.96 23.18 94.38 -125.76 59.60 39.51 99.36 0.01 0.63 2.33 0.97 96.26 0.37 0.07 0.00 0.00 0.00 49 L C C 19.13 21.23 8.93 29.11 118.08 163.94 -86.84 140.32 99.75 0.16 0.09 90.08 9.51 0.12 0.04 0.02 0.00 0.03 0.20 50 V C C 76.21 3.34 21.36 24.08 114.49 -110.73 -70.27 146.17 99.60 0.16 0.24 99.41 0.25 0.09 0.05 0.07 0.00 0.04 0.09 51 L H G 87.05 12.86 12.82 25.74 92.09 -117.22 -57.94 -35.91 8.32 0.05 91.63 0.84 0.85 5.19 0.95 92.14 0.00 0.03 0.00 52 Q H G 131.25 2.61 19.06 22.25 90.79 59.90 -69.85 -16.54 7.82 0.04 92.14 0.38 0.60 5.54 0.72 92.72 0.00 0.03 0.00 53 Q H G 64.61 12.45 16.60 29.51 97.48 56.52 -97.93 0.98 9.58 0.10 90.31 1.48 1.28 5.03 0.96 91.17 0.00 0.07 0.01 54 R C C 40.48 20.54 14.82 34.39 112.57 100.02 -86.62 125.72 95.00 1.53 3.48 80.52 11.95 2.05 1.73 1.39 0.00 0.33 2.03 55 D C T 42.84 14.07 22.15 35.38 114.51 156.28 -100.35 -67.27 88.54 1.09 10.38 25.69 29.54 33.94 4.51 4.82 0.00 0.31 1.20 56 Y C T 90.88 13.11 24.07 36.34 95.24 -53.71 -70.83 -15.43 85.59 0.46 13.95 2.73 16.52 67.03 8.55 4.46 0.03 0.18 0.50 57 C C T 10.26 21.17 20.83 41.65 96.35 63.33 -88.23 -7.74 72.46 1.04 26.50 15.15 8.00 48.35 22.23 4.86 0.05 0.38 0.98 58 A H H 8.17 21.33 20.11 41.37 92.48 89.71 -61.32 -41.11 1.82 0.00 98.18 0.38 0.18 1.02 96.86 1.55 0.00 0.00 0.00 59 H H H 76.91 10.00 25.49 35.73 91.86 52.40 -64.89 -39.95 0.70 0.00 99.30 0.06 0.04 0.52 97.96 1.42 0.00 0.00 0.00 60 Y H H 51.74 14.77 24.22 38.54 92.12 49.61 -65.63 -41.46 0.48 0.00 99.52 0.04 0.02 0.37 97.94 1.63 0.00 0.00 0.00 61 L H H 9.11 22.37 21.25 43.03 92.12 51.49 -64.65 -42.62 0.28 0.00 99.72 0.04 0.02 0.16 99.60 0.18 0.00 0.00 0.00 62 I H H 35.47 13.68 23.13 36.99 91.82 50.55 -63.59 -42.72 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 63 R H H 99.32 7.94 25.21 33.42 91.60 49.93 -64.03 -41.31 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 64 F H H 17.85 19.43 20.02 39.31 91.81 50.01 -64.12 -42.58 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 65 L H H 37.93 13.70 21.59 35.42 91.78 50.17 -63.94 -41.35 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 66 K H H 92.54 4.68 23.66 28.27 91.65 49.95 -64.49 -41.24 0.36 0.00 99.63 0.02 0.01 0.28 99.66 0.03 0.00 0.00 0.00 67 C H H 13.12 12.91 16.72 31.63 91.48 50.52 -63.40 -42.01 0.45 0.00 99.55 0.04 0.03 0.28 99.55 0.10 0.00 0.00 0.00 68 K H H 64.96 13.55 16.06 29.70 92.09 50.97 -64.34 -39.67 0.63 0.00 99.36 0.05 0.03 0.46 99.25 0.21 0.00 0.00 0.00 69 R H H 140.25 4.06 17.76 22.52 93.17 48.09 -68.62 -37.33 1.61 0.00 98.39 0.05 0.06 1.42 98.14 0.32 0.00 0.00 0.00 70 D H H 100.99 2.31 17.06 19.37 98.93 35.95 -89.28 -27.15 7.52 0.00 92.48 0.13 0.32 7.10 92.02 0.41 0.01 0.00 0.00 71 S H H 51.32 7.60 12.82 21.79 105.50 29.16 -113.85 -1.16 31.74 0.13 68.13 2.31 5.32 23.74 67.74 0.68 0.06 0.03 0.13 72 F C C 84.57 9.15 10.19 20.62 116.80 142.20 -76.06 144.51 96.82 0.80 2.38 61.64 23.93 11.07 0.70 1.70 0.00 0.30 0.65 73 P C T 98.90 3.42 13.93 18.43 95.22 -29.31 -68.77 -15.92 96.00 0.33 3.67 8.17 37.01 50.56 0.40 3.45 0.00 0.16 0.24 74 N C C 90.73 3.97 13.81 19.00 105.87 61.87 -100.04 85.56 92.74 0.69 6.57 42.91 19.21 30.31 1.19 5.54 0.00 0.26 0.59 75 F H G 93.45 11.70 10.55 22.86 94.77 166.39 -64.32 -29.16 41.43 0.49 58.08 12.85 8.72 20.45 9.86 47.62 0.00 0.24 0.26 76 L H G 114.05 2.38 16.36 19.10 91.91 63.39 -66.38 -28.54 26.22 0.17 73.62 3.27 3.34 18.38 9.96 64.90 0.00 0.09 0.06 77 A H G 52.47 6.09 15.94 23.40 92.18 59.30 -71.39 -23.19 24.97 0.17 74.85 3.70 3.30 16.97 9.64 66.23 0.00 0.10 0.07 78 C H G 12.89 18.96 10.19 29.09 98.65 50.93 -99.93 13.18 48.02 0.52 51.45 21.58 7.18 18.90 11.89 39.82 0.00 0.23 0.40 79 K H H 113.43 5.06 17.33 24.10 92.36 112.94 -60.13 -41.53 4.93 0.01 95.06 2.69 0.82 1.55 93.86 1.07 0.00 0.00 0.01 80 H H H 122.66 2.09 20.33 21.56 91.84 50.17 -64.78 -39.87 1.40 0.00 98.59 0.17 0.11 0.99 97.74 0.99 0.00 0.00 0.00 81 E H H 40.17 14.10 16.58 31.21 91.79 49.70 -66.09 -40.82 0.72 0.00 99.28 0.11 0.05 0.46 98.34 1.04 0.00 0.00 0.00 82 Q H H 52.25 13.47 17.10 30.85 91.51 51.38 -63.38 -41.98 0.35 0.00 99.65 0.08 0.03 0.18 99.47 0.25 0.00 0.00 0.00 83 H H H 99.65 2.64 22.13 23.68 91.56 49.83 -63.97 -41.87 0.32 0.00 99.68 0.06 0.02 0.18 99.68 0.07 0.00 0.00 0.00 84 D H H 63.35 6.16 21.03 27.71 91.82 50.09 -64.46 -41.40 0.20 0.00 99.80 0.02 0.01 0.12 99.79 0.05 0.00 0.00 0.00 85 W H H 35.22 17.00 16.67 33.96 91.41 50.10 -63.74 -42.26 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 86 D H H 68.22 6.38 21.62 28.44 91.48 50.83 -63.58 -41.23 0.19 0.00 99.81 0.01 0.00 0.13 99.82 0.04 0.00 0.00 0.00 87 Y H H 122.65 2.87 23.03 24.96 91.82 49.36 -64.88 -41.70 0.27 0.00 99.73 0.02 0.01 0.18 99.75 0.03 0.00 0.00 0.00 88 C H H 20.63 12.69 18.05 32.21 91.55 50.62 -63.98 -42.21 0.27 0.00 99.73 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 89 E H H 63.50 11.86 19.66 31.72 91.73 50.72 -63.96 -41.47 0.25 0.00 99.75 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 90 H H H 97.71 3.92 22.08 25.65 92.00 49.74 -64.20 -42.34 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 91 L H H 73.49 5.21 21.25 26.82 91.78 49.46 -64.40 -41.53 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 92 D H H 25.61 13.54 17.08 31.70 91.70 50.32 -64.64 -41.24 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 93 Y H H 89.93 7.95 19.75 28.36 91.79 50.19 -64.66 -41.73 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 94 V H H 72.97 3.52 20.94 24.10 91.73 49.51 -64.30 -42.43 0.39 0.00 99.61 0.07 0.03 0.24 99.62 0.03 0.00 0.00 0.00 95 K H H 86.46 6.60 19.51 26.88 91.98 49.37 -65.22 -41.04 0.78 0.00 99.22 0.25 0.08 0.40 99.19 0.07 0.00 0.00 0.00 96 R H H 78.22 10.81 17.48 28.87 91.98 50.01 -64.68 -40.89 1.26 0.01 98.73 0.43 0.12 0.64 98.69 0.10 0.00 0.00 0.01 97 M H H 85.78 4.95 19.37 24.67 91.80 50.54 -63.91 -41.09 0.87 0.00 99.13 0.33 0.10 0.41 99.05 0.10 0.00 0.00 0.00 98 K H H 103.52 2.99 19.88 22.53 91.59 50.22 -64.71 -40.88 0.89 0.01 99.10 0.35 0.10 0.41 99.01 0.11 0.00 0.00 0.00 99 E H H 63.41 7.61 17.36 26.37 91.71 50.54 -64.28 -41.18 1.03 0.00 98.97 0.37 0.11 0.50 98.89 0.12 0.00 0.00 0.00 100 F H H 75.26 7.01 17.36 25.44 91.75 49.89 -64.31 -41.38 1.15 0.00 98.85 0.43 0.13 0.54 98.77 0.13 0.00 0.00 0.00 101 E H H 91.79 3.10 18.91 21.98 91.59 50.50 -63.54 -41.76 0.93 0.00 99.07 0.35 0.10 0.43 99.03 0.09 0.00 0.00 0.00 102 R H H 114.57 3.69 18.27 22.33 91.77 49.56 -64.76 -40.93 0.92 0.00 99.07 0.26 0.10 0.49 99.05 0.09 0.00 0.00 0.00 103 E H H 69.38 6.89 16.26 24.48 91.64 50.39 -64.34 -41.10 0.93 0.00 99.06 0.29 0.11 0.48 99.04 0.08 0.00 0.00 0.00 104 R H H 121.95 3.53 18.06 21.74 91.59 50.18 -64.08 -40.98 0.88 0.00 99.12 0.27 0.10 0.43 99.12 0.07 0.00 0.00 0.00 105 R H H 122.89 2.32 18.36 20.25 91.62 49.76 -64.70 -41.26 0.76 0.00 99.23 0.24 0.07 0.37 99.26 0.07 0.00 0.00 0.00 106 L H H 64.69 4.82 16.39 22.60 91.62 50.07 -64.42 -41.22 0.65 0.00 99.35 0.15 0.05 0.35 99.38 0.08 0.00 0.00 0.00 107 L H H 72.26 4.28 16.44 21.73 91.58 50.22 -64.26 -40.83 0.80 0.00 99.20 0.16 0.06 0.46 99.24 0.08 0.00 0.00 0.00 108 Q H H 91.41 2.45 17.18 19.50 91.68 50.35 -64.17 -41.24 0.69 0.00 99.31 0.14 0.05 0.37 99.38 0.07 0.00 0.00 0.00 109 R H H 116.86 2.59 16.25 19.11 91.83 50.33 -64.71 -40.84 0.64 0.00 99.36 0.14 0.05 0.32 99.43 0.06 0.00 0.00 0.00 110 K H H 100.83 3.28 15.45 19.47 91.70 50.37 -64.58 -40.61 0.65 0.00 99.35 0.14 0.05 0.32 99.42 0.07 0.00 0.00 0.00 111 K H H 108.96 2.20 15.35 17.61 91.69 50.50 -64.36 -40.49 0.78 0.00 99.22 0.17 0.06 0.39 99.29 0.09 0.00 0.00 0.00 112 R H H 125.53 1.86 14.75 16.54 91.75 50.60 -64.61 -41.05 0.95 0.00 99.05 0.23 0.08 0.46 99.11 0.12 0.00 0.00 0.00 113 R H H 123.89 2.23 13.53 16.32 91.85 50.04 -64.99 -40.82 1.14 0.00 98.86 0.29 0.10 0.57 98.85 0.18 0.00 0.00 0.00 114 E H H 111.19 1.87 12.57 14.93 91.95 50.23 -65.08 -39.77 1.88 0.01 98.11 0.45 0.18 1.02 98.01 0.33 0.00 0.00 0.00 115 Q H H 121.24 1.40 11.67 13.35 92.40 51.20 -65.97 -37.70 5.07 0.01 94.92 0.90 0.44 3.26 94.68 0.71 0.00 0.00 0.01 116 R H H 166.30 1.23 10.93 12.54 92.74 51.63 -68.36 -33.47 13.79 0.03 86.18 2.01 1.15 9.75 86.13 0.92 0.01 0.01 0.02 117 E H H 139.84 1.44 10.03 12.18 95.08 52.75 -77.50 -19.60 39.50 0.10 60.39 13.95 0.96 22.14 62.00 0.83 0.00 0.03 0.08 118 A C C 72.89 3.32 10.60 15.50 100.77 76.61 -73.76 -7.38 99.82 0.01 0.17 99.03 0.22 0.58 0.16 0.01 0.00 0.01 0.00