# 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 S C C 66.10 6.41 15.45 22.58 107.19 108.20 -89.30 68.21 99.58 0.09 0.33 99.29 0.19 0.20 0.23 0.02 0.00 0.04 0.03 1 A C H 63.99 6.35 12.96 20.34 99.16 77.23 -72.20 -31.76 50.94 0.80 48.26 40.76 2.18 8.32 43.60 4.37 0.00 0.41 0.36 2 S H H 65.69 4.84 14.82 20.79 97.50 57.89 -70.60 -32.85 44.49 1.09 54.42 26.96 7.64 11.34 47.22 5.82 0.02 0.55 0.44 3 A H H 42.10 12.17 12.75 25.24 97.17 55.94 -69.79 -32.54 35.76 1.30 62.94 23.04 6.74 7.93 54.23 6.88 0.02 0.72 0.44 4 K H H 114.05 6.75 16.69 24.20 97.59 57.88 -73.33 -29.01 34.18 1.64 64.18 22.89 6.61 6.93 56.64 5.48 0.02 0.92 0.52 5 T H H 64.79 6.69 17.11 24.57 101.64 57.61 -78.46 -20.45 35.35 2.26 62.39 24.16 6.40 7.00 55.52 4.90 0.03 1.33 0.67 6 R H H 93.69 11.21 17.35 28.65 96.18 54.12 -70.14 -30.74 29.99 3.08 66.93 18.65 6.45 7.86 59.14 5.08 0.07 1.89 0.87 7 S H H 26.12 15.80 14.03 29.57 94.46 59.14 -68.38 -34.77 32.31 4.09 63.60 20.55 5.98 8.62 55.45 5.56 0.08 2.65 1.12 8 S H H 67.68 5.87 17.41 24.07 93.79 57.89 -67.78 -34.88 34.79 3.84 61.37 19.88 6.53 10.95 51.51 7.40 0.11 2.52 1.11 9 R H H 139.77 5.36 18.01 24.26 93.08 58.46 -70.03 -24.64 39.32 3.84 56.84 13.47 8.92 19.35 45.41 8.60 0.47 2.29 1.47 10 A C T 29.94 15.97 14.75 30.42 95.66 52.96 -86.10 -1.77 66.36 1.35 32.29 8.34 10.55 45.84 25.00 8.53 0.15 0.70 0.88 11 G C T 46.81 4.67 21.98 26.91 96.65 -107.86 82.67 9.50 93.59 0.97 5.44 17.00 14.96 62.00 2.49 2.57 0.00 0.58 0.40 12 L C C 20.82 21.40 11.82 32.61 116.75 129.73 -94.02 133.24 87.41 8.61 3.98 66.12 13.60 7.17 1.83 2.19 0.00 4.79 4.29 13 Q C C 115.31 5.37 22.74 28.58 104.66 -164.50 -94.13 9.14 87.68 9.35 2.97 53.21 30.64 4.40 1.89 1.22 0.01 5.37 3.26 14 F C S 34.49 19.27 16.18 34.93 121.80 97.79 -108.17 133.44 93.01 5.54 1.45 44.85 47.87 1.14 1.34 0.30 0.00 2.97 1.52 15 P C C 46.37 9.67 24.04 34.12 111.54 -105.36 -67.73 140.80 93.00 4.61 2.39 90.69 1.80 0.83 2.12 0.34 0.00 2.28 1.94 16 V H H 28.21 21.46 16.84 37.44 93.33 -119.00 -60.44 -37.58 14.62 0.17 85.20 3.38 1.96 9.50 81.94 2.99 0.06 0.08 0.09 17 G H H 28.80 7.73 22.67 31.11 91.86 56.80 -62.09 -39.46 9.64 0.11 90.25 1.63 1.12 7.02 87.43 2.65 0.05 0.06 0.05 18 R H H 90.68 9.35 23.98 33.36 92.14 51.69 -67.59 -38.71 3.22 0.10 96.69 1.30 0.50 1.60 94.51 2.00 0.01 0.07 0.02 19 V H H 2.32 26.00 18.06 44.43 91.38 51.72 -63.23 -43.84 1.18 0.04 98.77 0.45 0.17 0.58 98.20 0.55 0.00 0.03 0.01 20 H H H 49.08 15.85 21.92 37.03 91.32 51.09 -62.52 -42.36 0.97 0.03 99.00 0.29 0.12 0.53 98.60 0.44 0.00 0.02 0.00 21 R H H 117.20 3.30 25.15 27.80 91.57 50.42 -63.81 -42.44 1.17 0.03 98.79 0.25 0.14 0.74 98.39 0.45 0.01 0.02 0.01 22 L H H 18.43 14.86 18.76 34.65 91.83 49.61 -64.46 -42.11 1.66 0.05 98.29 0.39 0.21 1.05 97.70 0.59 0.01 0.03 0.01 23 L H H 12.90 22.39 14.76 36.72 91.97 50.52 -65.21 -39.67 3.48 0.08 96.44 0.67 0.35 2.44 95.17 1.27 0.02 0.05 0.02 24 R H H 142.01 5.65 18.80 25.55 91.94 52.26 -67.18 -32.83 11.16 0.09 88.75 0.80 0.82 9.58 87.49 1.18 0.05 0.04 0.04 25 K C T 135.23 2.38 18.73 20.77 94.83 47.11 -87.65 -6.85 55.38 0.18 44.44 1.51 3.50 48.92 44.24 1.58 0.05 0.06 0.13 26 G C T 35.30 10.76 14.79 25.90 102.84 -108.25 84.52 12.36 95.48 0.34 4.18 9.26 13.85 72.55 2.97 1.01 0.00 0.16 0.19 27 N C C 72.47 6.78 18.34 26.12 103.24 133.43 -96.48 68.67 89.73 1.12 9.15 71.52 10.35 7.60 6.96 2.28 0.00 0.47 0.82 28 Y H H 31.42 20.70 12.92 33.02 94.97 150.39 -71.18 -28.22 36.53 1.18 62.29 21.19 7.09 10.74 49.48 10.25 0.07 0.57 0.62 29 S H H 46.81 12.66 15.28 28.19 91.99 67.88 -63.54 -30.79 17.83 0.45 81.72 4.84 3.08 10.03 65.55 15.94 0.12 0.26 0.18 30 E H H 145.59 1.47 20.00 20.49 93.21 52.16 -73.22 -28.71 14.79 0.38 84.83 2.58 2.23 9.61 68.76 16.30 0.16 0.22 0.14 31 R H H 107.68 9.79 17.45 27.47 99.16 41.89 -85.63 -32.15 19.04 0.45 80.52 2.78 3.45 13.25 69.36 10.38 0.32 0.22 0.24 32 V H H 28.54 19.04 13.01 31.04 104.62 31.95 -103.68 -13.56 35.61 2.59 61.80 8.53 14.56 17.14 53.14 3.19 0.63 0.72 2.10 33 G C C 32.23 5.36 19.58 25.82 124.78 -132.21 84.45 -171.22 67.47 1.38 31.16 42.59 7.90 15.37 6.70 25.91 0.00 0.68 0.83 34 A C T 80.30 5.53 17.54 24.28 94.81 -42.62 -67.06 -14.19 60.94 0.33 38.73 1.99 5.61 52.94 5.81 33.18 0.02 0.17 0.30 35 G C T 29.41 11.02 19.78 31.00 93.81 54.36 -75.10 -7.86 55.82 0.20 43.98 4.19 4.35 46.28 11.25 33.62 0.01 0.10 0.19 36 A H H 8.76 20.61 17.96 38.89 92.79 99.34 -61.24 -41.41 5.32 0.02 94.67 3.41 0.99 1.20 93.59 0.80 0.00 0.00 0.01 37 P H H 23.91 19.74 22.02 40.67 91.76 53.14 -63.79 -39.86 1.09 0.00 98.90 0.29 0.10 0.58 98.58 0.46 0.00 0.00 0.00 38 V H H 58.31 10.26 26.82 37.25 92.12 50.40 -64.91 -41.87 0.20 0.00 99.79 0.04 0.01 0.11 99.62 0.22 0.00 0.00 0.00 39 Y H H 51.88 15.98 26.21 41.56 91.92 49.22 -64.78 -42.73 0.10 0.00 99.90 0.02 0.00 0.05 99.87 0.06 0.00 0.00 0.00 40 L H H 4.40 25.22 24.56 49.17 91.63 49.79 -64.39 -42.78 0.10 0.00 99.89 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 41 A H H 15.97 17.86 25.32 42.71 91.27 51.63 -63.06 -42.04 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 A H H 30.98 9.61 27.28 37.98 91.56 50.79 -63.84 -41.90 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 43 V H H 9.93 21.18 24.60 45.21 91.46 49.86 -64.64 -42.81 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 44 L H H 6.59 24.41 23.27 47.03 91.33 50.94 -63.59 -42.21 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 45 E H H 78.64 11.38 26.20 37.43 91.43 51.49 -63.30 -41.54 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 46 Y H H 75.57 11.03 26.05 37.26 91.81 49.32 -64.99 -41.72 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 47 L H H 8.15 22.53 22.66 44.66 91.45 49.35 -65.15 -42.41 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.03 0.00 0.00 0.00 48 T H H 19.55 19.71 22.92 41.63 91.57 51.20 -63.65 -41.64 0.33 0.00 99.67 0.03 0.01 0.22 99.69 0.04 0.00 0.00 0.00 49 A H H 40.25 7.48 25.13 33.16 91.51 51.53 -63.90 -41.63 0.29 0.00 99.71 0.02 0.01 0.19 99.69 0.07 0.00 0.00 0.00 50 E H H 59.53 11.27 24.69 36.09 91.73 49.66 -65.51 -41.09 0.41 0.00 99.59 0.04 0.02 0.28 99.54 0.11 0.00 0.00 0.00 51 I H H 5.70 24.16 20.26 44.24 91.40 50.16 -64.33 -43.18 0.50 0.00 99.50 0.07 0.03 0.32 99.42 0.15 0.00 0.00 0.00 52 L H H 44.40 15.48 22.37 37.21 91.56 50.59 -63.39 -41.62 1.01 0.01 98.98 0.16 0.07 0.66 98.73 0.36 0.00 0.01 0.00 53 E H H 108.66 3.95 25.87 29.84 91.77 50.26 -64.75 -40.63 3.90 0.03 96.07 0.49 0.28 2.94 95.48 0.78 0.01 0.02 0.01 54 L H H 33.53 14.79 21.30 36.09 92.22 48.90 -66.96 -39.02 9.06 0.09 90.85 1.28 0.87 6.74 89.79 1.21 0.03 0.04 0.03 55 A H H 13.82 19.86 17.86 37.15 92.91 52.76 -68.05 -35.32 21.87 0.43 77.69 4.76 3.11 14.47 74.86 2.31 0.09 0.20 0.21 56 G H H 30.45 9.98 20.55 30.45 97.40 54.12 -60.73 -38.87 42.88 1.17 55.95 10.67 6.44 26.93 50.06 4.64 0.13 0.61 0.53 57 N H H 90.20 5.69 20.88 26.68 98.59 45.70 -79.24 -14.95 46.04 3.15 50.81 17.57 9.70 20.74 41.09 7.64 0.17 2.10 0.99 58 A H H 34.22 11.60 15.54 28.00 97.49 70.53 -75.19 -24.69 44.23 7.77 48.01 21.77 9.04 15.61 37.09 8.97 0.23 5.57 1.74 59 A C H 38.10 11.69 13.00 25.46 101.61 64.83 -79.94 -12.65 48.29 11.01 40.70 27.48 8.44 13.99 31.79 7.77 0.18 7.96 2.39 60 R C H 145.86 4.32 13.93 19.55 103.32 91.36 -81.39 -3.08 54.77 10.63 34.60 25.33 11.92 18.86 26.99 6.63 0.53 6.96 2.78 61 D C T 105.85 2.91 13.13 16.95 101.60 45.94 -84.65 25.24 72.60 3.33 24.07 24.52 17.03 31.58 17.88 5.77 0.08 1.94 1.21 62 N C T 101.70 5.10 11.53 18.03 101.28 -46.69 -72.32 37.53 81.97 1.15 16.88 26.84 19.94 35.58 10.54 5.93 0.01 0.52 0.64 63 K C C 138.63 4.29 12.91 18.45 98.61 120.39 -77.94 5.61 75.97 2.41 21.62 28.81 21.78 25.97 12.91 8.17 0.03 1.22 1.12 64 K C C 117.85 6.34 14.54 21.99 107.51 95.59 -90.12 84.34 67.37 8.23 24.40 35.73 17.20 14.98 15.52 8.71 0.08 5.26 2.51 65 T C C 57.97 11.96 14.74 26.98 111.46 91.43 -95.62 116.05 65.33 12.51 22.16 45.04 11.30 8.66 15.33 7.40 0.04 9.61 2.62 66 R C C 104.82 10.63 20.32 30.77 115.88 -166.97 -101.03 132.05 62.71 17.95 19.34 40.41 15.13 7.10 14.53 5.56 0.06 13.78 3.43 67 I C C 21.21 21.53 15.92 36.91 113.06 -130.77 -91.61 120.14 62.04 23.25 14.70 46.58 11.21 3.38 12.53 3.15 0.04 13.24 9.86 68 I C C 49.97 11.20 23.03 34.40 119.47 -149.98 -93.74 146.04 81.43 2.60 15.96 74.03 5.00 1.26 16.94 0.66 0.00 1.54 0.56 69 P H H 43.45 16.30 17.36 33.21 93.36 -113.82 -58.66 -38.66 9.48 0.29 90.22 4.75 1.30 3.78 88.24 1.67 0.01 0.19 0.06 70 R H H 130.35 4.89 23.13 28.33 91.92 53.48 -64.08 -38.97 4.13 0.10 95.76 1.31 0.50 2.35 93.96 1.77 0.01 0.07 0.02 71 H H H 46.65 14.97 21.09 35.71 92.28 49.57 -66.09 -40.66 1.88 0.07 98.06 0.71 0.24 0.95 96.18 1.86 0.00 0.05 0.01 72 L H H 5.56 24.39 18.42 42.82 91.67 50.58 -64.26 -42.58 1.18 0.04 98.77 0.45 0.14 0.58 97.98 0.82 0.00 0.03 0.00 73 Q H H 67.69 11.91 23.42 34.98 91.40 51.68 -63.02 -41.68 1.29 0.06 98.65 0.36 0.13 0.76 98.17 0.54 0.00 0.04 0.00 74 L H H 52.72 6.63 24.30 31.61 91.49 50.40 -63.90 -42.30 1.45 0.08 98.47 0.33 0.16 0.92 97.88 0.64 0.01 0.06 0.01 75 A H H 7.69 17.40 18.62 37.00 91.65 50.50 -63.89 -42.27 2.01 0.09 97.89 0.52 0.22 1.22 97.03 0.92 0.01 0.07 0.01 76 I H H 21.91 19.47 17.60 36.65 92.68 48.07 -66.60 -39.37 3.94 0.08 95.98 0.60 0.37 2.89 94.51 1.55 0.02 0.05 0.02 77 R H H 134.13 5.71 20.70 26.97 92.49 51.44 -68.89 -30.56 12.10 0.07 87.83 0.68 0.85 10.49 86.73 1.15 0.04 0.02 0.03 78 N C H 91.05 5.33 18.17 24.00 100.46 35.71 -101.46 3.90 55.10 0.27 44.63 7.61 6.81 38.98 44.77 1.54 0.03 0.09 0.17 79 D C C 45.45 16.01 10.98 26.22 107.02 116.08 -87.34 99.21 72.73 0.52 26.76 63.84 5.20 2.64 26.57 1.28 0.00 0.16 0.32 80 E H H 134.08 2.19 18.12 20.69 93.52 -157.31 -64.60 -37.75 7.64 0.07 92.29 1.59 1.14 4.89 88.42 3.87 0.02 0.03 0.03 81 E H H 89.83 6.13 18.76 25.68 92.30 51.08 -65.69 -40.20 4.39 0.08 95.53 1.02 0.49 2.92 91.76 3.72 0.02 0.05 0.02 82 L H H 7.32 22.54 12.82 35.45 92.01 50.17 -64.69 -42.00 2.20 0.07 97.73 0.67 0.28 1.26 94.42 3.30 0.01 0.05 0.01 83 N H H 59.87 12.17 16.85 29.36 91.33 53.70 -63.42 -38.61 2.32 0.05 97.63 0.59 0.26 1.43 94.89 2.78 0.01 0.04 0.01 84 K H H 140.33 1.69 21.90 22.52 92.05 52.22 -66.06 -38.48 4.40 0.05 95.55 0.41 0.33 3.70 91.99 3.49 0.02 0.03 0.01 85 L H H 44.24 14.53 17.79 32.17 94.45 46.21 -72.30 -38.83 7.01 0.08 92.91 0.40 0.55 6.30 90.50 2.12 0.06 0.04 0.03 86 L H H 18.27 21.05 14.75 35.24 97.62 35.84 -92.55 -14.88 25.37 0.87 73.76 3.79 4.48 18.62 69.69 2.30 0.28 0.37 0.48 87 G C T 36.98 5.59 19.99 26.42 109.56 -144.48 70.95 -128.70 78.07 3.63 18.29 20.01 13.71 44.20 12.68 5.79 0.05 2.52 1.04 88 R C T 149.32 4.67 20.52 25.82 113.92 -5.99 -100.41 124.17 70.71 12.00 17.29 23.57 14.89 33.36 9.36 7.23 0.09 9.99 1.50 89 V C C 31.64 20.68 12.43 32.06 119.07 -167.28 -103.41 131.34 65.43 23.04 11.53 55.22 6.36 2.98 8.20 3.69 0.02 21.19 2.35 90 T E E 68.11 7.03 23.03 30.34 119.18 -162.95 -111.13 132.55 41.46 47.65 10.89 35.25 2.97 1.99 8.70 2.97 0.02 43.17 4.93 91 I E E 47.74 18.43 14.96 32.31 112.69 -154.35 -95.05 117.79 33.91 47.05 19.04 26.06 4.25 3.61 13.15 6.71 0.07 42.34 3.81 92 A C E 48.22 10.61 16.21 27.16 105.97 -127.98 -84.70 85.55 42.25 29.94 27.81 26.61 7.86 9.89 10.52 15.51 0.09 27.31 2.20 93 Q C T 124.10 4.58 17.38 22.67 106.33 3.28 -88.90 64.46 49.76 20.23 30.01 16.49 12.20 24.61 7.90 19.62 0.33 16.14 2.72 94 G C T 42.62 7.94 16.81 25.02 106.27 -6.71 85.67 2.14 70.73 6.28 22.99 16.61 17.36 38.06 5.17 16.61 0.07 4.36 1.76 95 G C C 30.87 12.07 16.67 28.44 112.77 -99.24 96.79 29.32 79.04 12.28 8.69 27.87 26.10 26.86 2.52 5.57 0.04 8.75 2.29 96 V C C 54.46 14.09 16.70 30.71 119.10 -104.00 -103.49 135.61 63.54 30.49 5.98 37.99 19.52 5.74 3.84 2.74 0.14 16.51 13.53 97 L C C 39.65 15.75 15.17 31.14 112.24 -128.36 -87.56 124.11 80.61 12.71 6.69 64.38 12.69 3.09 4.84 2.36 0.01 9.43 3.20 98 P C T 75.94 7.79 17.43 25.96 98.23 -128.41 -62.89 -28.56 63.77 6.24 29.98 17.62 8.99 36.29 20.05 10.67 0.15 4.91 1.34 99 N C T 100.43 5.87 18.97 25.30 96.65 43.21 -73.99 4.43 60.81 5.87 33.32 15.60 8.72 35.41 23.17 11.04 0.23 4.40 1.43 100 I H H 31.49 19.45 13.75 32.11 99.48 80.80 -85.28 -12.92 42.18 13.77 44.05 28.23 7.41 7.35 30.80 13.05 0.11 10.62 2.43 101 Q H H 84.86 12.00 18.22 29.79 95.84 76.68 -66.56 -35.06 27.75 15.72 56.53 18.19 4.72 5.91 36.15 19.51 0.10 13.88 1.55 102 A H H 48.70 10.20 17.86 28.45 95.25 58.53 -69.86 -26.00 21.04 15.50 63.46 11.55 4.10 6.38 35.54 26.91 0.12 14.33 1.06 103 V H H 55.58 13.05 18.25 30.96 97.21 54.95 -78.85 -22.99 24.37 17.82 57.80 11.64 4.94 8.73 32.73 24.56 0.24 15.73 1.42 104 L H H 48.06 16.36 17.49 32.86 99.22 54.43 -87.17 -11.75 35.11 20.81 44.08 15.81 8.75 12.75 25.21 17.82 0.85 15.47 3.33 105 L C S 51.62 14.57 15.87 30.45 115.77 90.04 -95.10 128.02 85.95 9.02 5.03 38.30 45.93 2.32 4.44 1.05 0.00 6.09 1.86 106 P C C 57.28 10.40 15.04 26.35 112.59 -112.39 -67.72 147.77 79.12 8.58 12.30 67.15 6.46 4.61 9.67 3.22 0.00 6.60 2.29 107 K C C 124.57 6.01 15.02 22.31 109.11 -111.10 -75.01 127.82 66.82 5.02 28.16 43.96 12.86 9.59 20.79 7.81 0.02 2.99 1.98 108 K C C 119.97 6.15 13.95 21.29 107.08 -110.24 -75.17 48.95 62.89 4.15 32.96 40.29 12.27 10.36 24.10 8.96 0.02 2.50 1.51 109 T C C 64.49 8.55 12.36 21.95 106.58 60.64 -83.71 31.17 59.22 3.17 37.62 40.43 10.20 8.71 28.84 8.80 0.01 1.84 1.16 110 E C H 110.65 5.45 13.89 20.56 97.86 55.80 -73.07 -30.04 54.63 1.97 43.40 34.84 10.87 9.35 35.58 7.52 0.01 1.03 0.79 111 S C H 59.63 5.24 13.81 20.22 100.20 62.15 -75.49 -27.80 54.19 1.35 44.46 33.64 10.30 10.60 36.54 7.63 0.01 0.68 0.58 112 H C H 94.77 7.70 12.89 21.71 97.98 57.87 -74.61 -27.84 51.23 1.46 47.31 29.57 11.10 11.38 39.03 7.54 0.02 0.73 0.63 113 H C H 95.73 7.36 12.61 21.19 99.10 61.90 -75.82 -28.44 53.54 1.75 44.71 33.72 10.30 10.10 37.66 6.57 0.02 0.87 0.76 114 K C C 126.31 3.58 13.89 18.48 99.05 60.94 -74.23 -26.33 55.47 2.45 42.07 36.65 9.29 9.91 36.21 5.57 0.02 1.26 1.08 115 A C C 60.95 6.06 10.58 18.09 99.59 57.93 -77.20 -17.16 62.45 2.28 35.26 40.25 9.82 12.38 29.71 5.59 0.01 1.18 1.06 116 K C T 133.49 4.28 10.17 16.06 103.02 72.22 -80.91 13.21 70.54 1.97 27.49 29.32 12.25 29.73 21.68 5.11 0.03 0.95 0.93 117 G C C 54.97 2.74 11.30 15.41 105.75 22.09 63.11 -0.40 85.85 0.72 13.43 46.74 5.28 34.71 9.95 2.56 0.00 0.37 0.39 118 K C C 143.27 3.12 12.10 16.76 106.53 78.80 -84.41 75.94 99.75 0.11 0.14 99.28 0.32 0.23 0.07 0.02 0.00 0.05 0.03