# 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 A C C 13.45 21.75 17.74 38.90 116.16 -156.19 -93.05 137.00 99.68 0.31 0.01 99.61 0.15 0.03 0.00 0.00 0.00 0.20 0.02 1 R E E 107.70 8.65 22.96 31.96 123.04 -161.21 -113.79 135.88 21.02 78.81 0.17 19.91 0.79 0.11 0.12 0.07 0.00 61.58 17.42 2 I E E 21.12 21.14 14.12 34.92 117.08 -158.81 -113.68 122.00 8.92 90.73 0.36 5.03 2.24 0.62 0.29 0.18 0.00 68.96 22.67 3 A C T 45.95 12.56 15.98 29.29 94.65 -18.03 54.56 40.79 99.03 0.54 0.43 0.38 2.13 96.77 0.02 0.29 0.00 0.30 0.10 4 G C T 58.03 2.59 18.19 20.93 94.98 -47.89 81.40 2.14 99.67 0.10 0.22 0.37 2.50 96.85 0.01 0.19 0.00 0.06 0.01 5 V E E 44.75 13.60 12.23 26.64 122.18 109.22 -108.28 139.06 11.08 88.79 0.13 5.59 5.12 0.52 0.07 0.08 0.00 62.82 25.80 6 E E E 125.19 3.71 20.91 25.25 109.59 -126.93 -83.46 119.98 48.65 51.31 0.04 43.71 3.48 0.24 0.01 0.03 0.00 49.40 3.13 7 I C C 12.40 23.69 10.16 33.45 116.48 -158.07 -95.16 130.26 96.50 3.47 0.03 95.35 1.61 0.05 0.01 0.01 0.00 2.59 0.38 8 P C C 59.50 5.42 21.37 27.35 111.32 -111.91 -66.93 137.94 98.53 1.29 0.18 97.56 0.86 0.32 0.03 0.10 0.00 0.73 0.41 9 R C T 113.80 13.07 13.77 26.66 93.14 -132.14 -64.88 -24.71 98.95 0.35 0.70 2.58 15.82 80.56 0.07 0.62 0.00 0.17 0.17 10 N C T 115.81 3.17 19.28 22.56 95.60 55.87 -87.71 3.15 97.93 1.41 0.65 5.88 9.05 83.17 0.07 0.62 0.00 0.99 0.21 11 K C C 61.08 14.41 14.83 29.61 118.58 118.06 -79.24 144.88 93.01 6.67 0.32 68.33 24.49 0.52 0.12 0.19 0.00 4.25 2.09 12 R E B 89.22 10.47 24.01 34.36 114.55 -114.49 -77.27 140.72 14.42 85.41 0.17 11.56 0.27 0.02 0.16 0.01 0.00 7.99 80.00 13 V H H 4.22 26.22 17.89 44.83 91.99 -123.85 -59.16 -39.50 4.78 0.06 95.17 0.55 0.40 3.50 84.97 10.51 0.02 0.04 0.01 14 D H H 37.81 17.79 23.43 39.99 90.91 57.05 -62.65 -38.85 1.97 0.02 98.01 0.10 0.10 1.90 87.52 10.37 0.00 0.01 0.00 15 V H H 42.64 9.94 26.73 37.54 91.79 50.69 -65.78 -40.45 0.76 0.01 99.24 0.04 0.04 0.69 86.76 12.47 0.00 0.00 0.00 16 A H H 3.52 22.97 22.23 45.01 91.74 51.63 -64.64 -40.06 1.39 0.01 98.60 0.12 0.09 1.09 84.07 14.62 0.00 0.01 0.00 17 L H H 2.72 26.29 20.59 47.08 91.22 53.53 -66.19 -33.56 4.07 0.03 95.89 0.21 0.24 3.65 61.42 34.43 0.02 0.02 0.01 18 T H H 46.71 14.10 22.93 36.71 91.21 61.80 -69.45 -22.89 20.73 0.07 79.20 0.46 0.66 20.16 44.23 34.34 0.05 0.04 0.05 19 Y C T 88.05 12.87 23.52 36.28 93.82 59.41 -81.01 -12.47 50.26 0.19 49.55 1.15 3.01 46.42 21.75 27.37 0.05 0.09 0.18 20 I C S 9.05 24.46 16.80 41.30 115.86 89.11 -89.68 131.71 92.01 4.44 3.56 7.75 78.67 4.12 3.27 0.39 0.09 0.84 4.87 21 Y C T 88.08 13.95 23.50 36.40 107.97 -97.83 -68.71 117.02 97.12 0.64 2.23 0.81 11.54 85.32 0.78 0.79 0.01 0.26 0.49 22 G C T 34.82 9.64 22.86 32.71 96.25 10.05 86.21 -1.99 99.37 0.10 0.52 1.92 13.37 84.21 0.18 0.23 0.00 0.06 0.04 23 I C C 10.37 23.86 12.99 36.85 116.72 114.55 -102.34 126.04 96.64 2.92 0.45 76.75 17.84 0.86 0.30 0.13 0.00 0.69 3.43 24 G C C 28.27 6.18 23.71 29.80 126.44 -156.08 -89.43 167.35 99.53 0.23 0.24 98.09 1.35 0.15 0.17 0.02 0.00 0.06 0.16 25 K H H 109.48 11.94 15.93 27.90 92.09 -98.77 -60.05 -37.90 2.83 0.01 97.17 0.54 0.48 1.48 97.20 0.31 0.00 0.00 0.00 26 A H H 71.68 1.94 22.56 23.06 91.87 51.95 -64.09 -41.10 2.18 0.00 97.81 0.38 0.22 1.35 97.59 0.45 0.00 0.00 0.00 27 R H H 80.46 11.22 20.61 31.91 92.11 47.93 -66.47 -40.45 0.68 0.00 99.32 0.19 0.07 0.34 99.07 0.33 0.00 0.00 0.00 28 A H H 2.44 25.41 14.70 40.55 91.05 51.53 -62.73 -43.15 0.14 0.00 99.86 0.03 0.01 0.06 99.87 0.04 0.00 0.00 0.00 29 K H H 96.79 9.04 23.27 32.48 91.28 50.80 -63.00 -41.38 0.07 0.00 99.93 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 30 E H H 94.78 3.15 25.75 28.07 91.41 50.08 -63.69 -42.61 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 A H H 4.41 20.27 19.00 39.92 91.48 49.73 -63.53 -43.68 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 32 L H H 9.26 22.30 16.79 38.98 91.68 49.66 -63.12 -42.62 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 33 E H H 130.16 2.71 21.42 24.43 91.57 50.08 -63.32 -40.60 0.34 0.00 99.66 0.02 0.01 0.26 99.55 0.16 0.00 0.00 0.00 34 K H H 125.86 4.47 19.78 25.13 91.44 51.48 -66.21 -31.74 2.56 0.00 97.43 0.04 0.06 2.60 97.02 0.29 0.00 0.00 0.00 35 T H H 22.79 18.43 13.78 32.16 95.70 44.37 -92.59 -3.33 38.72 0.01 61.27 0.23 0.84 38.42 59.72 0.77 0.01 0.00 0.01 36 G C T 54.97 2.07 22.80 24.54 94.85 -115.37 76.09 21.35 99.92 0.00 0.07 2.98 1.15 95.82 0.02 0.01 0.00 0.00 0.00 37 I C C 13.95 23.36 10.20 32.93 119.26 146.41 -92.51 137.55 99.42 0.56 0.02 95.91 3.33 0.03 0.01 0.00 0.00 0.10 0.63 38 N C C 82.82 4.50 24.62 28.88 109.23 -121.53 -81.48 123.06 99.86 0.12 0.02 99.61 0.26 0.03 0.00 0.00 0.00 0.03 0.07 39 P C T 42.25 19.25 13.33 32.27 91.71 -147.94 -64.35 -20.85 99.85 0.04 0.10 0.63 2.72 96.54 0.01 0.06 0.00 0.02 0.02 40 A C T 77.50 3.39 21.41 25.54 92.63 60.40 -88.55 -2.52 99.90 0.04 0.06 0.52 2.28 97.11 0.00 0.05 0.00 0.02 0.01 41 T C C 27.43 14.31 14.68 30.49 117.73 116.64 -70.71 142.89 99.36 0.61 0.02 71.07 28.31 0.10 0.00 0.01 0.00 0.24 0.26 42 R E B 88.06 7.77 24.03 32.09 118.92 -121.94 -82.84 150.08 19.82 80.16 0.02 16.68 0.17 0.00 0.02 0.00 0.00 4.09 79.05 43 V H G 9.02 24.97 13.26 38.77 90.71 -116.50 -58.14 -36.87 8.91 0.05 91.03 0.40 0.61 6.32 0.44 92.18 0.00 0.04 0.00 44 K H G 116.30 7.93 20.30 29.10 89.80 63.50 -67.04 -19.72 8.53 0.02 91.45 0.10 0.36 6.80 0.28 92.45 0.00 0.01 0.00 45 D H G 91.78 4.05 21.44 25.99 94.85 55.43 -93.35 -2.40 8.78 0.03 91.19 0.40 0.82 5.55 0.33 92.88 0.00 0.01 0.00 46 L C C 11.52 24.21 8.05 30.92 116.57 109.45 -74.86 139.00 99.25 0.48 0.27 68.13 30.75 0.20 0.10 0.14 0.00 0.08 0.60 47 T C C 68.15 2.84 21.39 23.27 123.51 -135.61 -85.19 165.21 99.56 0.32 0.11 98.92 0.62 0.03 0.08 0.01 0.00 0.05 0.30 48 E H H 130.30 4.95 14.37 21.39 90.79 -103.24 -57.75 -38.67 0.93 0.00 99.07 0.14 0.15 0.52 98.98 0.21 0.00 0.00 0.00 49 A H H 71.76 1.73 19.05 19.65 91.30 53.13 -63.94 -40.04 0.34 0.00 99.66 0.03 0.02 0.23 99.51 0.20 0.00 0.00 0.00 50 E H H 40.68 14.16 16.42 31.12 91.95 48.72 -66.06 -40.29 0.14 0.00 99.86 0.02 0.01 0.08 99.71 0.18 0.00 0.00 0.00 51 V H H 13.53 19.78 15.34 35.27 91.50 50.98 -63.07 -43.02 0.06 0.00 99.94 0.01 0.00 0.04 99.92 0.04 0.00 0.00 0.00 52 V H H 73.21 3.43 22.68 25.70 91.25 50.53 -63.61 -41.77 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 53 R H H 106.80 5.17 22.51 27.86 91.52 50.24 -64.47 -41.39 0.21 0.00 99.79 0.01 0.00 0.17 99.76 0.05 0.00 0.00 0.00 54 L H H 4.82 23.87 16.44 40.61 91.60 50.14 -63.86 -42.91 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 55 R H H 85.15 13.79 20.19 33.34 91.48 52.08 -62.21 -41.86 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 56 E H H 104.27 2.01 22.91 23.15 91.54 50.34 -64.09 -41.93 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.04 0.00 0.00 0.00 57 Y H H 47.82 10.64 18.12 30.26 91.92 49.05 -64.83 -42.11 0.39 0.00 99.61 0.03 0.02 0.26 99.59 0.09 0.00 0.00 0.00 58 V H H 11.17 21.17 13.01 33.99 92.62 48.26 -65.79 -40.84 1.22 0.00 98.78 0.14 0.08 0.86 98.61 0.30 0.00 0.00 0.00 59 E H H 107.44 6.50 16.45 23.98 92.52 49.79 -67.97 -32.51 7.23 0.01 92.76 0.46 0.38 6.20 92.20 0.75 0.01 0.00 0.01 60 N H H 118.94 1.28 17.46 17.51 98.50 35.66 -90.09 -27.30 31.05 0.04 68.91 0.94 1.59 28.00 68.21 1.20 0.02 0.01 0.03 61 T C H 72.17 6.52 15.20 22.79 105.00 25.82 -109.55 -18.22 50.66 0.22 49.11 5.39 5.56 37.85 49.32 1.63 0.03 0.08 0.14 62 W C C 67.88 16.77 11.13 27.16 120.70 55.49 -120.41 126.46 90.44 4.10 5.46 68.76 16.63 4.79 4.61 1.35 0.00 2.45 1.41 63 K C C 129.51 4.35 18.72 24.44 117.32 -160.03 -103.34 127.50 83.44 13.39 3.17 79.44 2.63 1.57 2.38 0.83 0.00 9.52 3.63 64 L C C 51.93 16.60 10.74 26.70 117.05 -162.33 -101.27 133.03 74.18 17.76 8.06 65.79 4.77 2.81 7.12 1.78 0.01 13.02 4.70 65 E C C 123.58 4.22 15.63 20.98 112.78 -133.93 -86.47 135.76 62.09 8.27 29.64 37.13 11.27 13.30 25.14 5.29 0.12 6.06 1.69 66 G C H 44.17 3.84 16.01 20.68 117.92 26.46 95.22 -161.13 58.39 2.38 39.23 20.62 19.04 19.95 32.33 5.85 0.11 1.18 0.91 67 E H H 109.57 4.57 16.89 22.04 105.81 -30.53 -80.58 96.67 45.21 1.17 53.62 31.35 5.66 8.39 49.07 4.48 0.01 0.62 0.42 68 L H H 37.53 17.11 12.77 29.51 94.72 125.73 -65.39 -37.09 12.78 0.25 86.97 8.30 1.89 3.24 84.67 1.70 0.00 0.13 0.08 69 R H H 116.42 9.17 17.61 27.36 91.97 54.65 -63.00 -40.69 3.16 0.05 96.79 1.72 0.45 1.08 96.00 0.71 0.00 0.02 0.01 70 A H H 61.00 2.89 20.35 22.74 92.10 50.36 -65.33 -40.54 1.39 0.02 98.59 0.66 0.18 0.55 98.18 0.42 0.00 0.01 0.00 71 E H H 80.83 7.76 19.85 28.26 92.24 49.83 -65.89 -41.01 0.84 0.01 99.15 0.33 0.09 0.37 98.95 0.25 0.00 0.00 0.00 72 V H H 19.94 18.07 16.73 34.82 91.69 49.63 -64.17 -42.65 0.68 0.01 99.31 0.22 0.06 0.33 99.22 0.16 0.00 0.00 0.00 73 A H H 43.46 7.61 20.67 28.97 91.56 51.17 -63.05 -41.81 0.68 0.00 99.32 0.16 0.05 0.37 99.29 0.13 0.00 0.00 0.00 74 A H H 50.84 3.24 22.53 25.31 91.56 50.22 -63.99 -41.21 0.64 0.00 99.36 0.12 0.04 0.38 99.36 0.11 0.00 0.00 0.00 75 N H H 34.42 13.87 19.69 33.85 92.01 50.28 -65.11 -40.93 0.79 0.00 99.21 0.11 0.04 0.51 99.25 0.09 0.00 0.00 0.00 76 I H H 27.00 18.16 18.02 35.92 91.86 50.85 -63.68 -41.88 0.38 0.00 99.62 0.05 0.02 0.22 99.65 0.06 0.00 0.00 0.00 77 K H H 118.93 3.13 23.23 26.00 91.59 50.99 -63.49 -41.26 0.29 0.00 99.71 0.04 0.02 0.16 99.72 0.06 0.00 0.00 0.00 78 R H H 106.35 5.13 21.65 27.05 91.82 49.58 -64.91 -40.96 0.49 0.00 99.51 0.04 0.02 0.34 99.47 0.12 0.00 0.00 0.00 79 L H H 14.65 18.68 14.65 33.70 91.87 50.96 -64.24 -41.41 0.52 0.00 99.48 0.06 0.03 0.33 99.31 0.26 0.00 0.00 0.00 80 M H H 78.87 10.69 16.86 27.95 92.24 50.87 -64.65 -40.43 1.03 0.00 98.97 0.11 0.06 0.73 98.50 0.60 0.00 0.00 0.00 81 D H H 112.89 1.51 19.73 20.47 91.63 52.21 -66.74 -30.80 4.93 0.01 95.06 0.17 0.21 4.42 94.66 0.52 0.00 0.00 0.00 82 I H H 71.53 9.53 15.55 26.02 94.62 49.53 -86.69 -8.33 33.57 0.05 66.39 0.75 2.10 29.78 66.60 0.70 0.03 0.01 0.04 83 G C T 40.64 6.11 19.97 26.90 97.91 -106.96 83.68 14.31 98.92 0.09 0.99 22.39 6.58 70.08 0.69 0.18 0.00 0.04 0.04 84 C C C 20.81 16.83 14.10 31.41 119.47 148.11 -79.62 151.30 95.06 1.44 3.49 83.40 10.16 0.84 3.35 0.39 0.00 0.32 1.53 85 Y H H 96.11 10.53 21.63 32.88 92.67 -122.95 -62.93 -36.57 12.76 0.09 87.14 2.08 3.01 8.30 84.55 1.91 0.05 0.03 0.06 86 R H H 81.26 13.15 21.18 33.83 92.48 55.71 -65.03 -41.56 7.16 0.04 92.80 0.74 0.78 5.60 90.80 2.03 0.02 0.02 0.02 87 G H H 8.12 13.29 17.84 32.78 91.90 51.75 -63.93 -42.21 4.65 0.04 95.31 1.06 0.55 2.89 92.62 2.83 0.01 0.02 0.01 88 L H H 48.70 8.19 20.27 29.69 91.85 50.15 -64.29 -42.14 2.91 0.04 97.05 0.76 0.41 1.65 95.26 1.89 0.01 0.02 0.01 89 R H H 60.06 9.73 17.28 28.46 92.36 50.02 -64.66 -42.12 3.11 0.05 96.84 0.70 0.39 1.95 94.69 2.21 0.01 0.03 0.01 90 H H H 65.83 11.89 14.85 27.36 92.37 49.91 -64.70 -41.09 2.81 0.02 97.16 0.41 0.21 1.98 93.30 4.06 0.00 0.02 0.00 91 R H H 134.11 6.42 16.17 23.89 91.28 52.52 -66.10 -30.27 9.41 0.03 90.56 0.44 0.47 8.36 86.75 3.92 0.03 0.01 0.01 92 R C T 137.61 3.94 15.45 20.38 93.45 49.85 -89.92 1.72 66.69 0.04 33.27 0.47 1.34 66.23 29.07 2.83 0.01 0.01 0.04 93 G C T 55.85 2.22 16.37 19.03 95.52 -104.85 81.99 11.06 99.74 0.01 0.26 1.31 1.28 97.25 0.11 0.04 0.00 0.00 0.00 94 L C C 56.86 10.20 11.02 22.90 117.46 141.56 -89.51 137.95 99.73 0.24 0.03 93.26 6.41 0.08 0.01 0.01 0.00 0.07 0.16 95 P C C 73.34 5.26 17.91 23.99 112.36 -104.87 -65.42 144.70 98.96 0.84 0.20 95.72 2.89 0.38 0.06 0.09 0.00 0.30 0.57 96 V C C 49.44 16.36 11.18 26.80 116.87 -152.28 -103.56 136.30 84.87 13.65 1.48 74.64 7.07 1.41 0.70 0.66 0.00 2.69 12.82 97 R C T 143.51 5.26 15.71 22.12 109.00 -83.69 -75.97 122.67 87.31 3.90 8.80 23.14 30.88 34.10 3.79 4.16 0.02 1.80 2.11 98 G C T 45.79 5.51 14.29 20.75 99.39 10.67 80.20 -0.84 85.69 1.78 12.53 18.75 28.76 39.01 5.85 5.71 0.02 0.77 1.14 99 Q C C 99.47 6.73 12.73 20.70 101.90 108.55 -79.89 -15.62 70.19 1.81 28.00 33.71 21.20 16.13 18.81 8.20 0.03 0.71 1.20 100 R C C 146.69 4.26 14.16 19.65 100.29 61.08 -81.45 -11.55 62.91 2.34 34.75 36.91 14.15 12.63 27.18 6.82 0.04 1.04 1.23 101 T C H 62.70 8.42 11.90 21.53 104.00 77.47 -84.66 -10.26 50.87 2.06 47.07 30.40 11.73 10.01 38.81 7.11 0.04 1.01 0.89 102 R H H 141.69 5.10 14.27 20.56 98.21 67.48 -72.83 -27.20 45.59 1.63 52.78 24.92 11.09 11.08 44.52 6.87 0.04 0.82 0.67 103 T H H 74.30 5.39 14.39 20.87 98.53 57.63 -78.32 -29.97 46.23 1.34 52.43 24.42 10.92 12.22 44.67 6.48 0.04 0.64 0.60 104 N C H 73.86 7.55 13.60 22.28 97.30 56.90 -76.62 -20.71 49.64 1.22 49.14 27.14 11.01 12.82 41.37 6.47 0.03 0.55 0.61 105 A C H 49.20 9.48 11.88 22.40 96.46 69.54 -74.97 -17.21 52.68 1.43 45.89 29.50 11.01 13.45 36.78 7.86 0.03 0.66 0.70 106 R C C 143.29 4.73 13.45 19.56 101.31 79.05 -80.82 -7.73 59.48 2.19 38.33 35.42 12.44 12.45 30.61 6.98 0.03 1.03 1.04 107 T C C 92.69 3.72 12.77 17.73 102.65 61.15 -92.39 2.45 69.77 2.97 27.26 44.59 13.65 11.55 21.71 5.60 0.02 1.38 1.50 108 R C C 126.96 6.93 9.42 17.81 114.73 101.64 -89.13 135.16 85.78 2.20 12.02 57.58 19.47 8.15 9.81 2.67 0.00 1.00 1.32 109 K C C 162.87 1.49 11.63 14.12 109.21 -141.27 -86.97 108.37 91.48 2.67 5.85 64.06 20.13 6.88 4.41 1.62 0.00 1.19 1.71 110 G C C 37.99 5.47 9.56 16.74 128.53 -143.33 -143.99 175.25 96.04 2.13 1.83 60.41 32.96 2.77 1.12 0.69 0.00 1.00 1.04 111 P C C 107.67 2.42 11.41 15.01 105.61 -64.39 -71.85 133.85 90.33 2.02 7.65 59.62 18.28 12.45 3.20 4.40 0.00 1.11 0.94 112 R C C 163.80 3.10 9.58 14.64 115.79 -123.60 -94.65 134.83 86.41 4.18 9.41 59.37 16.85 10.04 4.58 4.88 0.00 2.27 1.99 113 K C C 146.60 2.96 10.17 15.10 114.44 -149.41 -93.95 132.18 85.84 4.55 9.61 63.06 15.68 6.99 5.02 4.64 0.00 2.89 1.70 114 T C C 90.03 4.46 9.67 16.00 119.25 -150.45 -104.14 136.94 83.96 7.22 8.82 65.79 12.13 5.55 5.24 3.74 0.00 4.58 2.96 115 V C C 103.96 4.08 9.18 14.98 108.41 -153.32 -93.19 87.97 83.67 6.46 9.87 59.36 15.08 9.08 5.24 4.61 0.00 3.80 2.83 116 A C C 79.26 3.60 8.96 14.19 109.76 116.18 -85.41 121.19 85.13 3.52 11.35 36.62 20.76 28.65 4.34 6.34 0.00 2.10 1.19 117 G C C 55.89 2.50 9.38 13.47 109.45 10.62 55.42 105.70 87.27 3.30 9.43 38.11 22.00 28.02 2.67 6.14 0.00 1.87 1.19 118 K C C 149.75 2.51 8.29 12.65 112.40 -122.51 -89.64 127.65 91.64 2.74 5.62 80.93 4.13 7.31 2.13 2.67 0.00 1.61 1.21 119 K C C 152.96 2.58 10.63 14.96 110.05 -129.29 -85.53 121.84 99.83 0.12 0.05 99.53 0.22 0.14 0.01 0.01 0.00 0.06 0.03