# 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 113.28 5.93 13.54 20.88 117.01 -154.94 -99.70 132.52 99.93 0.07 0.00 99.89 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 I C C 102.94 7.39 10.10 18.67 114.35 -153.35 -94.06 128.83 94.10 3.74 2.16 87.65 1.43 5.43 0.83 0.89 0.00 2.50 1.27 2 G C C 48.15 4.43 11.39 17.35 114.54 -87.70 74.17 165.80 93.24 4.09 2.67 60.26 18.38 14.77 0.64 2.01 0.00 2.77 1.17 3 R C C 164.56 3.70 11.10 16.49 110.88 -113.58 -91.60 121.86 91.03 5.32 3.65 67.94 15.56 7.62 1.03 2.60 0.00 3.80 1.44 4 G C C 42.90 5.44 12.48 19.26 120.87 -132.75 63.72 171.43 87.42 9.03 3.55 67.43 14.10 5.95 1.15 2.39 0.00 7.00 1.98 5 K C C 129.18 5.71 12.10 19.49 114.55 -95.40 -89.77 129.01 81.75 14.62 3.63 72.25 6.10 3.05 1.53 2.05 0.00 10.66 4.37 6 L C C 102.11 7.11 11.62 19.95 104.72 -169.12 -91.25 -3.56 84.39 11.19 4.42 52.32 13.66 18.97 1.46 2.78 0.01 8.70 2.10 7 G C C 39.76 5.54 15.78 22.33 129.54 -27.67 149.21 172.18 89.61 7.03 3.37 41.52 23.73 25.09 0.65 2.60 0.01 5.41 1.01 8 E C C 106.19 10.31 12.95 23.92 121.69 -113.17 -108.33 138.57 88.92 8.05 3.03 69.19 15.79 3.80 0.79 2.17 0.00 7.29 0.97 9 K C C 113.55 5.99 18.28 25.46 125.29 -168.36 -117.56 145.70 75.53 22.63 1.84 62.61 9.53 2.55 0.58 1.18 0.00 22.07 1.48 10 Y C C 106.20 12.84 17.06 29.80 116.39 -118.40 -86.13 135.11 63.17 36.21 0.63 58.60 3.63 0.61 0.33 0.31 0.00 32.68 3.84 11 I C C 21.44 19.02 16.53 35.53 124.21 -163.68 -114.05 142.01 67.95 31.87 0.18 66.06 2.63 0.12 0.12 0.07 0.00 26.74 4.24 12 T C C 37.28 9.85 24.05 34.44 120.69 -120.58 -78.12 159.67 71.31 28.47 0.21 73.99 0.79 0.07 0.17 0.04 0.00 16.85 8.08 13 I H H 34.24 20.09 18.69 38.39 91.43 -111.10 -59.42 -38.42 0.85 0.00 99.15 0.14 0.10 0.46 99.14 0.16 0.00 0.00 0.00 14 A H H 34.84 9.95 22.82 33.09 91.44 53.60 -62.85 -40.62 0.33 0.00 99.67 0.03 0.02 0.21 99.59 0.14 0.00 0.00 0.00 15 E H H 68.76 7.99 24.53 33.14 91.77 48.94 -65.92 -40.52 0.14 0.00 99.86 0.01 0.01 0.08 99.78 0.12 0.00 0.00 0.00 16 A H H 3.13 23.50 18.55 42.27 91.31 50.96 -63.33 -43.13 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 17 K H H 58.54 15.57 21.83 36.56 91.40 51.31 -62.54 -42.13 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 18 E H H 95.85 3.58 25.00 28.01 91.51 50.28 -64.13 -41.75 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 19 L H H 37.68 10.94 21.54 33.43 91.60 49.63 -64.13 -42.30 0.09 0.00 99.91 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 20 L H H 10.36 21.01 16.93 38.09 91.67 50.00 -64.13 -41.63 0.17 0.00 99.83 0.01 0.00 0.09 99.86 0.02 0.00 0.00 0.00 21 L H H 69.22 7.15 20.45 28.31 91.35 51.24 -63.74 -40.79 0.47 0.00 99.53 0.04 0.02 0.28 99.61 0.04 0.00 0.00 0.00 22 K H H 113.64 2.24 22.43 23.28 91.74 49.94 -64.81 -40.92 1.14 0.00 98.86 0.15 0.07 0.71 98.99 0.08 0.00 0.00 0.00 23 R H H 62.82 11.24 17.68 29.85 92.15 49.00 -65.47 -41.13 1.03 0.00 98.97 0.23 0.10 0.53 99.01 0.13 0.00 0.00 0.00 24 R H H 77.62 13.17 15.66 28.97 91.97 51.96 -63.71 -41.10 0.96 0.00 99.04 0.24 0.08 0.48 99.05 0.15 0.00 0.00 0.00 25 E H H 107.98 2.11 19.21 20.48 91.72 50.30 -64.36 -41.10 1.20 0.00 98.80 0.28 0.11 0.62 98.80 0.19 0.00 0.00 0.00 26 E H H 95.61 2.54 17.73 20.08 92.09 49.61 -65.41 -40.72 1.61 0.01 98.38 0.34 0.17 0.90 98.32 0.27 0.00 0.00 0.00 27 E H H 40.62 9.62 11.81 23.51 92.41 49.92 -65.61 -39.80 2.82 0.02 97.16 0.85 0.32 1.49 96.79 0.53 0.00 0.01 0.01 28 V H H 80.32 5.17 12.78 19.52 92.38 51.65 -64.81 -40.06 4.57 0.04 95.40 1.38 0.47 2.52 94.64 0.95 0.01 0.02 0.01 29 K H H 162.04 0.80 14.07 13.79 91.89 52.36 -66.91 -30.65 10.58 0.05 89.38 1.29 1.00 7.93 88.79 0.93 0.01 0.02 0.02 30 A C T 72.23 2.62 11.16 15.01 93.97 53.10 -85.33 -4.63 66.33 0.06 33.61 1.90 3.76 57.85 35.23 1.18 0.01 0.02 0.05 31 G C T 61.15 0.99 13.64 14.31 96.72 -110.70 75.04 20.11 98.90 0.04 1.06 10.87 4.83 83.38 0.66 0.22 0.00 0.02 0.02 32 I C C 74.95 8.28 7.62 17.32 113.83 146.71 -92.32 128.67 98.09 0.30 1.61 82.65 9.54 5.89 0.50 1.05 0.00 0.12 0.25 33 E C C 157.96 1.33 12.97 14.73 100.71 -165.23 -90.99 -5.62 98.16 0.26 1.58 59.09 30.42 8.61 0.31 1.29 0.00 0.11 0.18 34 E C S 116.92 3.11 12.69 17.45 121.28 90.71 -101.27 143.91 98.80 0.32 0.88 40.84 55.65 2.47 0.23 0.50 0.00 0.12 0.20 35 P C C 93.77 3.94 14.88 20.39 114.67 -101.71 -66.88 146.75 98.30 0.39 1.31 88.16 7.60 2.65 0.43 0.73 0.00 0.16 0.27 36 L C C 46.32 17.46 8.66 25.02 114.48 -109.88 -77.70 138.51 97.95 0.82 1.23 92.03 5.17 0.73 0.74 0.34 0.00 0.23 0.77 37 Y C C 116.66 4.54 16.85 22.15 118.78 -121.34 -80.69 160.95 98.12 0.40 1.48 96.06 1.80 0.47 1.12 0.15 0.00 0.11 0.29 38 Y H H 150.18 3.78 15.64 20.64 92.19 -106.23 -58.86 -39.41 3.78 0.01 96.20 1.22 0.70 1.73 95.81 0.53 0.00 0.00 0.01 39 E H H 85.52 8.11 17.33 26.26 91.75 53.17 -64.40 -39.36 1.60 0.00 98.40 0.34 0.15 0.93 98.03 0.54 0.00 0.00 0.00 40 A H H 16.62 16.88 15.35 32.45 91.69 50.80 -65.00 -40.78 0.40 0.00 99.60 0.09 0.03 0.21 99.30 0.37 0.00 0.00 0.00 41 R H H 107.21 8.13 20.60 29.19 91.59 52.17 -63.69 -40.83 0.09 0.00 99.91 0.02 0.00 0.05 99.86 0.07 0.00 0.00 0.00 42 L H H 71.97 5.23 23.09 28.50 91.49 49.85 -64.01 -41.36 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.02 0.00 0.00 0.00 43 A H H 10.35 17.86 19.08 37.42 91.50 50.75 -63.69 -42.61 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 44 L H H 27.52 16.92 20.46 37.18 91.62 50.29 -63.38 -42.01 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 45 E H H 95.84 3.77 25.48 28.85 91.37 50.33 -63.60 -42.16 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 46 H H H 46.83 10.81 21.93 33.57 91.79 50.02 -64.12 -42.38 0.17 0.00 99.83 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 47 A H H 4.58 23.42 16.18 39.71 91.27 50.64 -63.63 -41.78 0.29 0.00 99.71 0.02 0.01 0.23 99.57 0.17 0.00 0.00 0.00 48 E H H 95.13 9.75 21.03 30.86 91.76 51.37 -64.49 -38.57 1.53 0.00 98.47 0.06 0.06 1.41 97.47 1.00 0.00 0.00 0.00 49 R H H 139.28 3.70 22.93 26.66 92.64 50.48 -69.20 -36.31 6.90 0.00 93.10 0.15 0.25 6.65 91.78 1.16 0.01 0.00 0.00 50 F H H 53.82 15.35 17.97 33.22 98.55 40.30 -94.20 -13.85 20.38 0.09 79.53 1.69 2.47 16.35 77.89 1.45 0.05 0.03 0.07 51 A C C 17.58 21.09 13.81 34.14 105.09 91.19 -74.82 97.43 81.92 4.00 14.08 57.31 11.33 12.24 12.46 2.63 0.01 1.77 2.24 52 K C C 129.37 5.07 22.49 28.10 103.66 154.97 -99.26 2.14 89.09 5.34 5.56 62.15 16.49 10.03 3.93 1.77 0.00 2.48 3.14 53 L C C 35.27 16.19 13.29 29.62 123.88 98.65 -100.26 149.34 97.17 1.57 1.27 53.43 43.10 0.86 1.10 0.19 0.00 0.51 0.81 54 P C C 70.83 3.35 22.31 24.82 117.75 -103.03 -70.28 156.56 98.46 0.15 1.39 97.53 0.76 0.26 1.28 0.06 0.00 0.05 0.06 55 A H H 42.42 15.65 12.65 28.09 91.42 -109.92 -57.69 -38.61 5.71 0.01 94.28 1.25 0.84 3.35 92.94 1.60 0.00 0.00 0.01 56 D H H 105.50 1.54 21.07 21.47 91.69 53.40 -63.96 -39.63 3.86 0.01 96.13 0.64 0.39 2.56 94.71 1.68 0.00 0.00 0.00 57 K H H 96.33 5.49 20.98 26.87 91.91 47.89 -66.50 -39.69 1.95 0.01 98.04 0.58 0.21 1.05 96.52 1.63 0.00 0.00 0.00 58 A H H 3.79 23.60 13.36 37.22 91.44 52.42 -63.09 -42.94 0.82 0.00 99.18 0.30 0.07 0.36 98.96 0.31 0.00 0.00 0.00 59 K H H 90.90 9.85 21.82 31.70 91.57 51.38 -63.10 -41.48 0.35 0.00 99.65 0.08 0.02 0.18 99.63 0.09 0.00 0.00 0.00 60 E H H 105.02 2.08 25.29 25.50 91.55 50.27 -63.92 -41.60 0.31 0.00 99.69 0.04 0.01 0.18 99.71 0.06 0.00 0.00 0.00 61 A H H 10.27 16.91 19.97 37.38 91.87 50.19 -63.85 -42.45 0.36 0.00 99.64 0.05 0.02 0.20 99.68 0.05 0.00 0.00 0.00 62 V H H 11.39 21.87 18.37 40.00 91.47 50.74 -62.79 -43.02 0.28 0.00 99.72 0.04 0.01 0.14 99.77 0.04 0.00 0.00 0.00 63 E H H 105.14 3.66 24.00 27.47 91.55 50.76 -63.57 -41.04 0.41 0.00 99.59 0.04 0.02 0.23 99.63 0.07 0.00 0.00 0.00 64 E H H 87.68 5.02 22.79 27.93 91.68 49.89 -64.90 -41.14 1.02 0.00 98.98 0.09 0.05 0.71 98.88 0.26 0.00 0.00 0.00 65 L H H 7.17 22.67 15.17 37.99 92.31 49.20 -66.12 -40.08 2.10 0.01 97.90 0.24 0.14 1.51 97.38 0.73 0.00 0.00 0.00 66 M H H 57.48 14.66 15.86 30.51 91.32 55.60 -65.11 -31.74 7.46 0.02 92.52 0.82 0.55 5.82 89.48 3.30 0.01 0.01 0.01 67 N H H 123.99 1.22 20.44 20.26 91.90 56.41 -69.80 -24.56 27.89 0.03 72.08 1.00 1.06 25.78 68.44 3.67 0.02 0.01 0.02 68 A H H 50.81 8.89 15.95 25.73 95.96 49.81 -84.44 -19.26 43.25 0.08 56.67 2.93 3.92 35.64 53.08 4.30 0.02 0.03 0.07 69 F C C 34.06 19.65 8.90 27.08 117.10 57.06 -113.13 117.31 88.28 0.57 11.14 63.86 14.33 9.55 7.74 3.69 0.00 0.18 0.65 70 E C T 157.81 1.23 18.10 18.75 95.83 -155.95 -71.21 -18.19 96.93 0.29 2.78 17.88 25.64 53.60 0.66 1.91 0.00 0.14 0.17 71 W C T 133.83 8.57 16.60 25.69 97.54 50.04 -86.92 -9.28 95.87 0.64 3.49 18.83 26.61 50.66 0.77 2.50 0.00 0.32 0.30 72 M C S 19.71 22.70 9.24 30.43 122.65 79.29 -105.95 142.46 97.09 1.82 1.08 42.57 53.39 0.93 0.67 0.27 0.00 0.36 1.81 73 S C C 55.41 3.41 22.24 24.77 121.77 -125.75 -80.99 162.16 99.35 0.16 0.49 98.82 0.49 0.13 0.40 0.03 0.00 0.05 0.08 74 D H H 88.55 10.45 15.21 26.30 91.69 -104.83 -59.41 -37.26 1.40 0.00 98.59 0.22 0.16 0.77 98.66 0.18 0.00 0.00 0.00 75 R H H 140.03 3.68 21.61 25.81 91.71 53.29 -64.32 -40.50 0.65 0.00 99.35 0.07 0.04 0.42 99.30 0.16 0.00 0.00 0.00 76 I H H 23.64 16.72 19.66 36.40 92.19 47.74 -65.46 -42.27 0.21 0.00 99.79 0.03 0.01 0.12 99.71 0.12 0.00 0.00 0.00 77 A H H 3.90 23.36 18.29 41.85 90.92 51.55 -62.20 -43.68 0.10 0.00 99.90 0.01 0.01 0.05 99.90 0.03 0.00 0.00 0.00 78 C H H 35.84 11.82 24.19 36.30 91.53 50.56 -63.77 -41.50 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 79 K H H 69.53 10.65 26.30 37.29 91.78 51.19 -64.42 -41.64 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 80 I H H 2.41 26.16 21.70 47.76 91.74 48.64 -64.58 -42.74 0.26 0.00 99.74 0.01 0.01 0.19 99.67 0.12 0.00 0.00 0.00 81 V H H 9.66 23.26 22.29 44.63 92.39 50.65 -65.83 -38.85 1.60 0.00 98.40 0.05 0.06 1.47 97.56 0.86 0.00 0.00 0.00 82 D H H 66.40 10.08 26.21 36.71 92.09 52.39 -72.96 -24.23 20.10 0.01 79.89 0.32 0.56 20.05 77.59 1.46 0.01 0.00 0.01 83 I H H 30.60 16.94 22.59 39.55 96.12 51.77 -88.93 -6.76 43.02 0.25 56.74 5.81 7.07 29.58 54.91 2.30 0.04 0.06 0.23 84 M C C 38.78 19.92 23.15 41.44 103.66 -152.51 21.24 80.78 99.77 0.15 0.07 70.10 29.23 0.44 0.03 0.03 0.00 0.04 0.13 85 P C C 9.02 22.04 16.13 38.63 116.84 -136.98 -69.33 147.47 99.56 0.30 0.15 97.14 1.86 0.56 0.05 0.05 0.00 0.07 0.28 86 E C S 119.05 6.57 21.49 29.13 96.75 -151.64 -86.43 -23.24 99.72 0.18 0.09 18.52 80.51 0.74 0.03 0.03 0.00 0.05 0.12 87 D C S 64.23 3.96 24.18 27.90 140.65 13.31 -150.10 164.66 98.28 1.41 0.31 13.44 84.45 0.24 0.24 0.03 0.00 0.16 1.43 88 S H H 43.70 16.36 13.97 29.86 91.67 -104.61 -60.47 -35.71 2.50 0.00 97.50 0.26 0.37 1.78 96.22 1.35 0.00 0.00 0.00 89 M H H 118.59 2.27 21.93 23.63 91.41 55.75 -63.22 -40.52 1.23 0.00 98.77 0.09 0.08 0.94 97.56 1.33 0.00 0.00 0.00 90 D H H 40.32 10.42 18.90 30.49 91.91 50.33 -65.24 -40.17 0.56 0.00 99.43 0.08 0.04 0.36 97.87 1.64 0.00 0.00 0.00 91 L H H 3.39 25.48 14.27 40.11 91.35 50.96 -63.26 -42.64 0.34 0.00 99.66 0.04 0.02 0.19 99.08 0.65 0.00 0.00 0.00 92 R H H 103.78 10.62 21.26 31.83 91.38 52.53 -62.85 -39.97 0.50 0.00 99.50 0.05 0.03 0.34 98.65 0.93 0.00 0.00 0.00 93 V H H 70.65 4.19 23.38 27.24 91.67 51.12 -64.85 -41.39 1.19 0.00 98.81 0.06 0.05 1.04 96.83 2.04 0.00 0.00 0.00 94 I H H 18.12 18.08 18.33 36.46 92.62 49.42 -66.92 -40.80 3.31 0.00 96.68 0.08 0.13 3.17 95.19 1.42 0.00 0.00 0.00 95 F H H 18.62 20.41 14.79 35.07 96.37 44.78 -89.63 -14.47 22.95 0.11 76.95 2.11 2.46 18.11 75.15 2.00 0.05 0.03 0.09 96 A C T 59.13 7.05 15.91 24.41 92.28 89.22 -62.56 -30.05 65.95 0.26 33.79 6.75 4.41 53.59 27.65 7.24 0.01 0.11 0.25 97 K C T 146.41 2.16 17.01 19.34 95.51 53.33 -84.78 -7.21 72.78 0.21 27.01 5.33 8.57 58.54 18.05 9.19 0.01 0.09 0.22 98 E C C 54.28 15.97 8.47 23.39 118.40 91.83 -87.74 144.93 81.39 0.63 17.97 33.93 25.11 22.95 8.92 8.24 0.00 0.20 0.66 99 E C S 154.31 1.59 15.54 17.08 97.43 -140.68 -72.03 -20.11 94.98 0.48 4.54 21.67 47.33 26.26 1.40 2.76 0.00 0.18 0.40 100 Y C S 119.52 7.15 13.62 22.00 116.66 50.74 -109.76 130.94 96.58 0.86 2.56 31.29 51.57 13.73 0.60 1.86 0.00 0.37 0.60 101 Q C C 106.76 7.49 16.53 25.29 116.23 -145.74 -104.91 129.35 99.25 0.43 0.32 88.44 10.32 0.51 0.13 0.14 0.00 0.15 0.31 102 P C C 26.47 19.64 10.29 28.96 115.75 -122.44 -73.81 147.93 99.32 0.40 0.28 97.51 1.67 0.19 0.17 0.05 0.00 0.10 0.31 103 T C C 71.81 2.94 19.19 21.66 119.83 -119.57 -77.91 163.62 99.25 0.17 0.59 98.52 0.68 0.20 0.40 0.05 0.00 0.04 0.12 104 Q H H 121.08 4.96 13.40 20.20 93.05 -103.82 -60.17 -39.13 4.78 0.01 95.21 0.96 1.22 2.33 94.93 0.56 0.00 0.00 0.00 105 E H H 126.69 1.54 17.42 18.06 92.69 51.63 -65.27 -40.19 2.70 0.00 97.30 0.39 0.30 1.78 96.90 0.62 0.00 0.00 0.00 106 E H H 62.32 10.65 16.20 27.80 92.27 49.24 -65.95 -40.09 1.21 0.00 98.78 0.31 0.12 0.70 98.27 0.60 0.00 0.00 0.00 107 M H H 18.87 19.86 14.26 34.06 91.88 51.66 -63.19 -42.56 0.26 0.00 99.74 0.07 0.02 0.13 99.64 0.14 0.00 0.00 0.00 108 K H H 104.88 5.24 21.79 27.45 91.55 51.15 -63.60 -40.83 0.12 0.00 99.88 0.01 0.01 0.07 99.85 0.05 0.00 0.00 0.00 109 Q H H 84.43 4.60 23.20 27.81 91.60 50.41 -64.39 -41.80 0.10 0.00 99.90 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 110 I H H 6.94 22.34 19.27 41.68 91.94 49.57 -63.79 -43.70 0.07 0.00 99.93 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 111 L H H 18.22 18.23 20.49 38.76 91.46 50.17 -63.09 -42.13 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 112 D H H 80.08 2.96 25.07 27.20 91.47 50.58 -63.98 -40.77 0.45 0.00 99.55 0.02 0.01 0.39 99.51 0.07 0.00 0.00 0.00 113 I H H 28.19 11.86 20.29 33.44 91.88 49.78 -64.07 -42.94 0.81 0.00 99.19 0.04 0.03 0.68 99.05 0.19 0.00 0.00 0.00 114 L H H 6.87 23.15 15.44 38.73 91.78 49.85 -64.68 -40.96 1.39 0.01 98.60 0.17 0.10 0.96 98.07 0.69 0.00 0.00 0.00 115 D H H 69.08 7.88 17.98 26.80 91.53 54.37 -64.37 -35.77 8.96 0.02 91.01 0.82 0.50 7.32 87.34 3.98 0.01 0.01 0.01 116 K H H 133.26 2.26 18.68 20.76 92.30 55.35 -68.87 -29.16 25.12 0.04 74.84 1.26 1.24 22.52 70.96 3.95 0.02 0.02 0.02 117 Y H H 72.50 13.64 12.50 26.25 97.54 49.80 -87.60 -10.30 40.94 0.32 58.74 7.50 4.79 28.81 54.97 3.55 0.04 0.13 0.21 118 R C C 105.07 12.17 10.51 22.63 106.27 83.45 -83.89 87.51 76.04 1.90 22.06 57.92 1.99 14.27 22.06 1.79 0.00 0.86 1.11 119 E C C 136.70 2.98 14.75 19.19 109.79 155.13 -85.43 122.18 99.91 0.06 0.03 99.85 0.05 0.04 0.01 0.00 0.00 0.03 0.01