# 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 57.14 8.80 14.21 23.74 115.24 -139.51 -81.94 140.37 99.53 0.17 0.30 99.30 0.19 0.15 0.22 0.02 0.00 0.08 0.03 1 K C C 138.16 3.73 14.63 19.71 111.77 -116.26 -83.44 135.53 72.00 3.35 24.65 63.93 2.07 5.75 21.90 3.04 0.00 1.92 1.39 2 A C C 53.18 11.24 9.87 21.42 111.12 -113.97 -76.36 138.94 63.28 3.00 33.72 45.34 9.44 8.30 28.46 5.66 0.01 1.75 1.03 3 K C C 129.20 5.01 14.10 20.55 107.22 -140.33 -85.87 92.67 58.08 3.33 38.59 40.64 9.51 8.16 32.07 6.55 0.02 1.99 1.06 4 T C C 70.78 7.58 14.07 22.72 113.71 -141.69 -94.77 142.67 52.77 3.94 43.28 36.98 8.86 7.83 35.79 6.91 0.03 2.38 1.22 5 R H H 116.12 9.64 14.86 25.01 102.02 -136.58 -81.12 -6.81 45.33 4.14 50.53 29.07 9.33 9.10 41.90 6.76 0.06 2.51 1.26 6 S H H 40.07 12.45 13.14 25.89 104.89 61.80 -78.81 13.47 46.70 4.56 48.74 29.47 8.60 10.43 39.47 7.70 0.06 2.93 1.35 7 S C H 67.14 6.66 15.53 23.04 97.94 57.58 -74.35 -23.51 47.93 4.75 47.31 27.56 9.17 12.87 36.45 9.35 0.09 3.01 1.51 8 R C H 141.04 5.78 15.79 22.62 96.12 66.45 -75.06 -17.30 50.12 4.96 44.92 19.55 12.07 20.50 32.43 10.25 0.35 2.94 1.91 9 A C T 41.92 12.89 14.25 27.24 97.58 55.85 -83.87 1.75 70.20 1.92 27.88 12.19 13.60 43.70 18.68 9.58 0.11 1.03 1.11 10 G C T 45.65 5.28 19.80 25.63 98.29 -103.78 83.28 6.79 89.80 2.03 8.16 21.89 17.48 51.11 3.34 4.23 0.00 1.24 0.71 11 L C C 29.38 19.51 12.01 31.00 115.52 130.20 -91.49 130.09 83.42 12.13 4.46 67.15 10.13 5.46 2.11 2.42 0.00 7.75 4.97 12 Q C C 112.69 5.70 21.62 27.99 111.60 -163.10 -101.57 111.77 82.46 14.35 3.19 59.53 18.82 3.93 2.04 1.40 0.01 9.31 4.97 13 F C C 37.47 19.33 14.42 33.13 120.36 155.05 -108.55 132.50 89.63 8.71 1.65 60.14 28.98 1.27 1.53 0.42 0.00 5.81 1.85 14 P C C 53.72 7.84 22.72 31.04 111.48 -110.25 -67.62 140.64 90.18 6.53 3.29 86.73 2.34 1.29 2.90 0.55 0.00 4.19 2.01 15 V H H 43.88 18.94 15.33 33.21 94.18 -121.29 -61.17 -36.63 20.67 0.42 78.90 6.37 3.31 11.86 74.25 3.70 0.07 0.22 0.21 16 G H H 34.21 5.82 21.11 27.46 92.74 56.62 -61.96 -38.55 14.84 0.25 84.91 3.31 2.03 9.89 81.12 3.34 0.07 0.13 0.11 17 R H H 98.13 8.14 21.92 30.19 92.64 51.82 -67.63 -38.45 5.70 0.20 94.09 2.55 0.93 2.63 90.91 2.78 0.01 0.14 0.05 18 V H H 4.78 24.34 16.27 40.75 91.82 52.71 -63.08 -43.81 2.10 0.11 97.79 0.96 0.32 0.96 96.74 0.92 0.01 0.08 0.02 19 H H H 62.16 13.55 20.58 33.87 91.58 51.27 -62.63 -41.91 1.54 0.08 98.37 0.59 0.21 0.80 97.58 0.74 0.01 0.06 0.01 20 R H H 122.89 2.59 23.81 25.28 91.56 50.60 -64.00 -42.10 1.75 0.08 98.17 0.48 0.23 1.06 97.35 0.78 0.02 0.06 0.01 21 L H H 23.43 13.32 17.91 32.51 91.98 49.67 -64.54 -41.84 2.36 0.11 97.53 0.66 0.33 1.45 96.50 0.95 0.02 0.07 0.02 22 L H H 18.22 20.76 13.88 34.23 92.27 50.19 -66.03 -39.01 4.86 0.15 94.99 1.06 0.55 3.33 93.15 1.73 0.04 0.10 0.04 23 R H H 149.06 4.34 17.86 23.32 91.95 51.94 -67.36 -32.42 13.93 0.16 85.91 1.34 1.21 11.50 84.13 1.60 0.08 0.08 0.08 24 K C T 139.76 2.06 17.32 19.08 94.97 48.97 -87.06 -7.86 55.92 0.27 43.81 2.24 4.52 47.58 43.40 1.91 0.06 0.10 0.18 25 G C T 38.22 9.07 14.34 24.10 104.05 -104.36 84.17 13.12 92.94 0.36 6.70 8.63 15.56 68.75 5.18 1.48 0.00 0.16 0.23 26 N C C 78.39 6.30 17.74 25.07 101.50 133.75 -92.84 54.92 84.99 1.13 13.88 58.52 13.86 12.20 11.01 3.21 0.00 0.49 0.71 27 Y H H 33.07 18.78 13.48 32.05 94.83 133.11 -72.41 -29.83 34.99 1.40 63.61 20.67 6.59 10.19 52.26 8.83 0.07 0.70 0.69 28 A H H 34.55 14.36 14.16 28.73 92.12 68.21 -62.74 -34.85 13.54 0.44 86.02 4.19 2.30 7.19 70.21 15.62 0.07 0.28 0.14 29 E H H 147.05 1.32 19.92 20.15 92.52 52.39 -69.48 -30.55 11.01 0.33 88.67 2.09 1.58 7.09 72.77 16.05 0.10 0.22 0.10 30 R H H 121.02 7.39 17.60 25.59 96.58 46.42 -79.71 -32.14 14.43 0.31 85.27 2.02 2.28 10.28 73.74 11.19 0.19 0.16 0.14 31 V H H 31.02 18.03 12.14 29.37 103.10 34.88 -102.05 -14.63 30.69 1.82 67.48 7.00 11.63 16.21 59.13 3.57 0.48 0.58 1.38 32 G C C 34.57 4.47 18.74 24.16 123.12 -130.71 82.54 -167.16 59.68 1.09 39.23 35.64 6.89 15.13 6.38 34.80 0.00 0.55 0.61 33 A C T 84.81 3.95 17.04 22.23 95.69 -36.36 -67.97 -13.66 52.66 0.24 47.09 1.55 4.36 46.11 4.83 42.79 0.01 0.13 0.21 34 G H G 30.27 10.06 18.35 29.05 94.00 53.43 -76.17 -8.72 47.55 0.17 52.27 3.51 3.69 39.17 9.07 44.32 0.01 0.09 0.15 35 A H H 11.04 19.62 16.45 36.46 92.93 100.22 -61.45 -41.50 6.82 0.03 93.15 4.67 1.31 1.31 91.74 0.96 0.00 0.01 0.01 36 P H H 35.98 17.16 20.76 37.01 91.92 53.25 -63.41 -39.44 1.32 0.01 98.68 0.36 0.12 0.68 98.30 0.53 0.00 0.00 0.00 37 V H H 68.51 7.76 25.67 33.62 91.80 50.26 -65.33 -41.51 0.27 0.00 99.72 0.06 0.02 0.14 99.50 0.27 0.00 0.00 0.00 38 Y H H 61.09 14.54 24.70 38.62 91.89 49.21 -65.00 -42.57 0.13 0.00 99.87 0.02 0.01 0.06 99.82 0.08 0.00 0.00 0.00 39 L H H 8.43 23.89 22.72 45.83 91.53 49.65 -64.05 -42.78 0.12 0.00 99.88 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 40 A H H 22.25 15.33 24.20 39.29 91.32 51.35 -62.89 -41.93 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 41 A H H 36.12 7.66 26.23 34.83 91.38 50.80 -63.99 -42.28 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 42 V H H 14.60 19.29 23.61 42.40 91.59 49.74 -64.31 -42.91 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 43 L H H 11.03 23.04 22.00 44.24 91.43 50.89 -63.53 -42.00 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 44 E H H 87.18 9.71 25.19 34.95 91.33 51.45 -63.30 -41.43 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 45 Y H H 88.26 9.22 25.35 34.74 91.85 49.18 -64.93 -41.70 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 46 L H H 12.45 20.99 21.89 42.39 91.30 49.27 -65.06 -42.49 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 47 T H H 22.46 18.74 21.95 39.82 91.68 51.11 -63.44 -41.81 0.37 0.00 99.63 0.04 0.02 0.24 99.66 0.05 0.00 0.00 0.00 48 A H H 43.09 6.55 24.50 31.57 91.46 51.66 -63.84 -41.57 0.31 0.00 99.69 0.03 0.01 0.20 99.67 0.08 0.00 0.00 0.00 49 E H H 66.92 9.91 24.42 34.53 91.70 49.62 -65.37 -41.26 0.44 0.00 99.56 0.05 0.02 0.30 99.50 0.12 0.00 0.00 0.00 50 I H H 7.26 23.41 19.81 43.03 91.30 50.20 -63.92 -43.27 0.51 0.00 99.48 0.08 0.03 0.32 99.40 0.16 0.00 0.00 0.00 51 L H H 46.51 15.04 21.81 36.31 91.59 50.57 -63.31 -41.67 0.94 0.01 99.05 0.16 0.07 0.60 98.82 0.35 0.00 0.01 0.00 52 E H H 112.54 3.31 25.54 28.67 91.68 50.24 -64.52 -40.73 3.52 0.03 96.45 0.44 0.24 2.65 95.89 0.76 0.01 0.01 0.01 53 L H H 38.52 13.70 21.19 35.05 92.23 48.75 -66.84 -39.02 8.31 0.07 91.62 1.03 0.74 6.32 90.76 1.07 0.02 0.03 0.02 54 A H H 13.24 19.70 17.43 36.68 92.88 51.88 -68.24 -34.48 21.47 0.38 78.14 4.41 3.09 14.29 75.63 2.13 0.08 0.17 0.19 55 G H H 29.84 9.95 20.24 30.20 97.89 56.95 -55.49 -40.65 41.11 1.04 57.86 10.60 6.20 25.42 51.35 5.30 0.11 0.54 0.48 56 N H H 95.71 4.77 20.99 25.88 97.71 43.65 -78.14 -15.33 43.32 2.54 54.15 14.68 8.88 21.37 43.32 9.04 0.18 1.71 0.83 57 A H H 36.14 10.81 15.92 27.70 97.30 68.05 -75.54 -23.54 41.94 6.80 51.26 19.46 8.46 16.03 39.48 9.93 0.21 4.96 1.48 58 A C H 34.48 12.67 12.51 25.76 101.77 69.85 -80.25 -9.61 46.70 10.42 42.88 26.84 8.28 13.38 33.38 8.13 0.17 7.54 2.28 59 R C H 144.97 4.36 14.08 19.71 103.93 83.20 -82.94 5.78 53.99 10.55 35.47 26.03 11.22 18.05 28.19 6.34 0.46 6.95 2.75 60 D C T 106.68 2.85 13.26 17.00 101.94 38.96 -84.24 29.94 72.63 3.17 24.20 24.27 16.79 31.96 18.40 5.52 0.07 1.86 1.13 61 N C T 101.49 5.05 11.49 17.97 101.45 24.81 -76.15 43.31 82.12 1.04 16.85 25.94 19.83 36.66 10.84 5.67 0.01 0.47 0.58 62 K C C 138.93 4.15 12.76 18.23 98.74 122.72 -76.44 4.38 76.09 2.33 21.58 30.17 21.61 24.83 13.26 7.86 0.02 1.17 1.08 63 K C C 118.74 6.21 14.24 21.62 106.19 90.74 -88.97 27.28 67.72 7.51 24.77 37.53 16.47 14.04 16.20 8.60 0.07 4.78 2.32 64 T C C 61.06 11.21 14.49 26.15 110.52 113.39 -94.10 105.05 64.10 11.81 24.09 44.05 11.15 8.55 16.80 7.92 0.04 9.04 2.45 65 R C C 109.84 9.74 20.02 29.73 114.33 75.06 -97.88 130.32 60.74 16.98 22.28 38.43 14.75 7.66 16.42 6.42 0.07 13.08 3.17 66 I C C 25.33 20.78 15.40 35.53 113.06 -125.09 -91.77 120.12 60.26 21.48 18.26 43.97 12.01 3.92 15.32 3.74 0.05 12.74 8.25 67 I C C 52.42 11.03 21.76 33.13 117.99 -148.90 -91.06 141.60 79.57 2.41 18.02 71.28 5.51 1.42 19.13 0.72 0.00 1.40 0.52 68 P H H 50.14 14.50 17.03 31.35 93.64 -115.09 -59.26 -38.04 10.11 0.28 89.60 5.23 1.38 3.84 87.61 1.71 0.01 0.17 0.06 69 R H H 136.64 3.88 22.70 26.78 91.93 52.99 -64.07 -38.73 4.45 0.09 95.46 1.39 0.54 2.53 93.61 1.85 0.01 0.06 0.02 70 H H H 47.68 14.94 20.47 35.08 92.29 49.75 -66.23 -40.56 2.11 0.06 97.83 0.80 0.26 1.07 95.85 1.96 0.00 0.04 0.01 71 L H H 6.63 23.92 17.89 41.78 91.58 50.81 -64.15 -42.59 1.31 0.04 98.65 0.51 0.16 0.63 97.80 0.86 0.00 0.02 0.00 72 Q H H 74.38 10.13 23.57 33.64 91.47 51.63 -63.23 -41.58 1.44 0.04 98.52 0.42 0.15 0.84 97.92 0.64 0.00 0.02 0.00 73 L H H 53.89 6.32 23.95 30.94 91.53 50.49 -63.89 -42.20 1.68 0.04 98.28 0.38 0.19 1.06 97.55 0.78 0.00 0.03 0.01 74 A H H 7.47 17.88 17.80 36.60 91.71 50.65 -64.09 -41.69 2.54 0.06 97.39 0.68 0.29 1.53 96.41 1.04 0.01 0.04 0.01 75 V H H 25.88 18.01 17.56 35.17 92.87 48.09 -67.65 -38.31 5.44 0.08 94.48 0.81 0.53 4.01 92.85 1.69 0.03 0.05 0.03 76 R H H 143.30 4.16 20.64 25.17 92.98 50.57 -70.14 -29.50 16.22 0.08 83.70 0.93 1.29 13.90 82.44 1.31 0.06 0.03 0.05 77 N C T 87.95 5.63 17.32 23.52 101.99 31.02 -107.12 15.98 68.41 0.29 31.31 16.34 7.90 42.61 31.16 1.68 0.01 0.10 0.18 78 D H H 55.92 15.40 11.39 25.88 98.95 153.88 -65.88 21.17 39.55 0.31 60.13 31.96 4.33 3.66 57.52 2.27 0.00 0.10 0.17 79 E H H 132.94 1.99 18.62 20.44 93.61 62.26 -65.16 -39.18 5.98 0.05 93.97 1.34 0.80 3.78 90.36 3.67 0.01 0.03 0.02 80 E H H 87.52 5.90 18.69 25.37 92.34 50.09 -65.93 -40.38 3.44 0.07 96.49 0.96 0.37 2.13 93.05 3.42 0.01 0.05 0.01 81 L H H 7.54 22.37 12.45 34.88 91.71 50.79 -63.93 -42.17 2.03 0.06 97.91 0.64 0.26 1.12 95.27 2.64 0.01 0.05 0.01 82 N H H 64.88 11.28 17.27 28.97 91.20 53.21 -63.52 -38.07 2.64 0.06 97.31 0.67 0.27 1.64 94.85 2.50 0.01 0.04 0.01 83 K H H 140.67 1.63 21.83 22.28 92.08 52.51 -66.07 -38.71 4.37 0.06 95.58 0.43 0.33 3.65 92.27 3.23 0.02 0.04 0.01 84 L H H 43.58 14.49 17.67 32.07 94.53 45.01 -71.83 -38.74 6.74 0.09 93.17 0.44 0.58 5.95 90.89 1.99 0.06 0.05 0.03 85 L H H 19.02 20.89 14.55 34.80 97.78 38.57 -91.11 -14.94 26.39 1.12 72.50 4.51 4.76 18.62 68.44 2.35 0.25 0.49 0.58 86 G C T 37.96 5.41 20.05 26.27 108.73 -145.47 68.13 -119.69 77.98 2.83 19.19 18.17 14.49 45.29 13.06 6.18 0.06 1.76 0.99 87 R C T 148.57 4.59 20.28 25.52 117.11 -5.43 -97.40 128.63 71.28 10.07 18.66 23.35 15.62 33.71 9.96 7.82 0.13 7.75 1.65 88 V C C 31.39 20.28 12.47 31.81 118.54 -168.66 -105.78 131.20 68.16 19.99 11.85 56.12 7.81 3.31 8.56 3.87 0.02 17.87 2.44 89 T C E 69.89 6.82 22.70 29.92 118.72 -163.18 -109.51 130.51 45.69 44.14 10.17 39.00 3.25 1.98 8.22 2.65 0.02 39.96 4.92 90 I E E 47.45 18.15 14.47 31.71 112.50 -160.85 -95.91 115.64 36.90 46.20 16.90 28.41 4.62 3.41 12.65 5.37 0.09 40.62 4.83 91 A C E 50.46 9.83 16.00 26.24 108.30 -134.31 -79.04 -23.37 42.41 29.24 28.35 25.26 8.27 11.40 10.51 16.21 0.13 25.64 2.57 92 Q C T 131.20 3.62 17.22 21.38 102.87 8.88 -81.83 35.74 51.75 17.35 30.91 13.54 11.77 29.30 7.79 20.73 0.40 13.69 2.78 93 G C T 43.13 7.34 16.76 24.59 104.59 -29.52 84.29 1.38 71.27 4.56 24.17 12.44 15.29 44.30 4.56 18.75 0.05 3.16 1.45 94 G C T 27.69 12.38 16.86 29.04 115.05 -88.75 90.63 19.91 77.84 15.35 6.81 26.23 23.52 29.82 1.64 4.65 0.03 11.71 2.40 95 V C C 51.41 14.48 17.24 31.64 121.15 -91.64 -106.67 135.42 54.81 41.47 3.73 36.67 13.63 3.35 2.42 1.75 0.10 20.98 21.11 96 L C C 33.47 17.40 14.83 32.28 111.83 -126.39 -86.98 124.75 83.41 12.41 4.18 72.60 8.14 2.14 3.07 1.39 0.00 9.75 2.92 97 P C T 77.32 6.76 18.20 25.79 101.49 -123.36 -63.09 7.14 69.70 5.60 24.70 14.90 9.29 44.93 17.12 8.03 0.15 4.23 1.34 98 N C T 99.30 5.11 19.31 25.04 95.49 26.48 -22.43 16.62 70.35 2.50 27.14 16.71 7.66 45.62 19.57 7.88 0.07 1.63 0.86 99 I H H 16.10 21.64 13.27 34.43 94.70 108.32 -70.25 -35.50 26.87 2.61 70.51 15.42 4.27 8.46 50.03 19.18 0.05 1.97 0.62 100 Q H H 77.89 14.17 15.98 29.65 92.42 64.76 -62.26 -37.39 11.95 1.68 86.37 4.47 1.91 5.52 59.05 27.32 0.04 1.49 0.22 101 S H H 73.85 2.99 19.26 22.54 91.97 56.53 -68.75 -26.22 9.70 0.79 89.51 2.35 1.28 5.33 58.75 31.45 0.04 0.71 0.09 102 V H H 57.65 11.24 16.89 28.57 94.88 52.07 -77.52 -26.76 16.82 1.05 82.13 2.87 2.23 10.62 56.25 26.84 0.13 0.84 0.20 103 L H H 35.62 18.41 14.35 31.88 98.91 48.39 -90.51 -17.90 39.14 4.00 56.85 7.84 9.01 23.89 39.33 14.83 0.99 2.33 1.77 104 L C S 58.85 12.90 12.73 26.23 116.27 81.29 -96.46 127.60 96.14 3.08 0.79 26.74 68.32 1.50 0.51 0.24 0.00 1.60 1.08 105 P C C 75.63 6.96 11.90 20.56 112.90 -118.26 -67.30 147.37 96.56 2.81 0.62 93.89 1.16 1.80 0.26 0.22 0.00 1.76 0.90 106 K C C 156.24 2.73 13.54 18.03 109.01 -114.87 -78.93 126.07 99.86 0.11 0.02 99.75 0.11 0.05 0.01 0.00 0.00 0.05 0.02