# 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 48.13 11.83 15.55 27.65 116.98 -133.13 -83.59 144.28 99.90 0.09 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 L C C 79.28 10.82 13.40 24.83 113.00 -111.65 -80.11 134.47 92.16 6.05 1.79 90.30 0.88 1.70 0.71 0.68 0.00 3.50 2.23 2 R C C 145.17 5.84 14.37 21.71 111.63 -157.45 -98.17 121.46 85.14 12.86 2.00 62.94 17.36 4.48 0.70 1.39 0.00 7.09 6.04 3 Y C C 83.36 11.91 12.41 25.07 122.31 36.30 -116.03 131.69 85.37 13.20 1.43 55.15 28.29 2.64 0.55 0.91 0.00 8.56 3.90 4 P C C 76.55 7.25 17.76 25.73 104.29 -127.50 -70.93 86.09 83.80 12.20 4.00 56.82 19.84 7.32 1.44 2.61 0.00 9.29 2.68 5 M C C 66.20 12.58 14.98 27.93 124.20 133.36 -116.93 143.70 67.40 26.38 6.21 49.08 11.62 5.32 3.30 3.32 0.08 16.10 11.18 6 A C C 36.40 12.85 14.95 28.55 115.14 -129.86 -88.07 132.42 65.39 28.82 5.79 52.10 7.92 4.04 3.15 3.01 0.02 21.12 8.63 7 V C C 69.00 9.79 15.29 26.09 121.63 -168.19 -115.10 136.60 63.70 28.97 7.33 36.94 17.43 10.96 3.38 4.16 0.20 18.48 8.44 8 G C C 35.57 7.29 15.52 23.65 121.44 22.03 108.64 -151.26 79.38 13.01 7.61 33.73 28.68 18.20 1.95 5.49 0.03 8.38 3.54 9 L C T 109.96 5.77 13.69 20.58 96.83 -46.45 -74.66 -19.55 81.99 4.74 13.28 17.37 29.35 35.99 2.48 10.22 0.03 2.70 1.86 10 N C T 93.19 5.72 12.09 19.17 104.22 62.47 -95.41 41.56 79.88 6.85 13.27 21.59 24.16 34.55 2.13 11.06 0.03 3.72 2.76 11 K C T 139.23 4.50 11.38 17.84 107.21 -132.84 -68.30 114.88 81.67 6.67 11.66 15.32 18.73 47.48 2.11 9.75 0.03 4.03 2.53 12 G C T 55.47 2.96 13.82 17.81 98.31 14.12 82.78 -0.44 86.45 7.73 5.82 18.96 22.86 45.30 0.97 4.80 0.01 5.53 1.57 13 H C C 91.53 7.95 10.87 20.38 117.69 120.45 -90.15 139.07 78.01 18.75 3.24 55.15 18.37 4.37 1.23 2.22 0.01 13.16 5.48 14 K C C 135.35 3.61 15.46 20.46 113.13 -116.43 -75.49 137.33 63.42 34.54 2.05 54.03 5.77 1.78 1.22 1.01 0.01 20.40 15.78 15 V C C 72.64 11.62 10.60 22.48 114.89 -141.63 -92.88 132.00 77.25 20.95 1.79 65.63 8.75 1.97 1.04 0.93 0.00 14.63 7.04 16 T C C 56.82 7.98 12.02 21.53 123.11 -150.36 -105.81 153.70 82.90 14.98 2.12 70.69 8.96 2.46 1.18 1.07 0.00 9.49 6.15 17 K C S 160.45 1.92 13.58 16.49 96.07 -124.09 -71.15 -21.41 91.70 3.88 4.42 20.53 38.59 33.44 1.56 2.34 0.01 2.50 1.03 18 N C C 96.65 4.29 11.71 17.51 104.46 57.67 -95.10 78.49 92.59 3.64 3.78 34.15 26.28 32.85 1.09 2.34 0.00 2.19 1.08 19 V C C 78.76 9.28 8.98 18.93 103.04 160.18 -85.32 10.84 88.90 5.72 5.38 52.66 20.01 16.31 2.10 3.30 0.00 3.39 2.23 20 S C C 81.58 2.77 12.90 16.81 98.03 86.65 -85.76 -11.01 91.45 5.02 3.54 47.47 30.38 13.82 1.36 2.21 0.00 3.14 1.61 21 K C S 132.46 2.77 14.54 18.44 120.80 60.81 -103.59 142.14 94.06 4.00 1.94 43.00 49.74 1.74 1.41 0.59 0.00 2.24 1.27 22 P C C 69.85 9.64 11.80 22.60 114.85 -105.53 -65.37 147.01 92.45 5.18 2.37 84.68 5.67 1.75 1.41 0.90 0.00 2.83 2.75 23 R C C 84.07 10.55 11.99 23.72 115.28 -118.37 -79.25 143.96 91.49 3.40 5.10 83.46 5.96 1.81 3.16 1.67 0.00 1.22 2.72 24 H H G 116.78 5.04 15.30 21.61 95.42 -116.65 -64.16 -32.37 40.42 1.41 58.16 15.37 8.02 17.32 18.89 38.97 0.03 0.74 0.66 25 S H G 47.28 9.86 12.81 23.75 93.85 61.89 -71.22 -19.94 34.48 0.82 64.69 9.13 6.14 18.50 20.78 44.60 0.03 0.45 0.37 26 R H G 114.98 8.86 13.95 23.74 96.96 63.10 -81.77 -8.98 32.33 1.08 66.59 11.12 6.57 14.50 23.20 43.53 0.02 0.60 0.46 27 R C G 119.40 7.96 13.53 22.64 103.60 71.57 -89.84 14.20 51.54 2.39 46.07 22.76 11.32 17.92 21.12 24.30 0.08 1.11 1.39 28 R C T 143.21 5.27 13.88 20.63 108.52 95.59 -86.45 109.82 73.90 2.90 23.21 24.64 17.41 32.74 12.94 9.17 0.06 1.31 1.74 29 G C T 39.89 7.21 13.57 21.85 115.98 -22.94 89.22 165.90 87.01 1.85 11.15 29.53 26.38 31.88 3.95 6.39 0.01 0.89 0.96 30 R C C 149.93 4.08 15.37 20.73 116.33 -64.62 -90.82 134.14 88.73 4.31 6.95 68.80 12.63 6.82 3.07 3.84 0.00 2.07 2.76 31 L C C 76.61 12.29 10.83 23.34 111.90 -119.31 -79.78 129.33 90.70 5.53 3.77 78.49 9.01 2.67 2.16 1.53 0.00 2.42 3.73 32 T C C 58.16 7.12 12.67 21.31 122.55 -146.08 -96.49 160.63 93.43 3.77 2.80 82.82 8.34 1.87 1.94 0.83 0.00 1.39 2.80 33 K C T 159.90 1.85 14.03 16.56 92.71 -104.83 -64.13 -27.79 65.23 0.54 34.23 6.66 16.30 42.25 24.38 9.69 0.07 0.23 0.43 34 H C T 117.93 5.02 13.07 19.10 97.73 55.79 -83.80 -12.81 66.95 0.73 32.32 9.47 13.59 43.55 24.13 8.39 0.05 0.33 0.49 35 T C C 40.52 11.86 10.83 23.25 100.57 62.22 -86.49 3.11 54.36 1.56 44.08 37.74 8.03 9.09 37.24 6.38 0.01 0.64 0.87 36 K H H 121.41 4.34 15.26 21.00 93.56 87.90 -63.45 -38.73 10.63 0.22 89.15 5.55 1.77 3.59 87.34 1.56 0.01 0.10 0.08 37 F H H 122.26 2.62 17.90 20.38 92.42 52.27 -65.63 -40.96 4.90 0.12 94.98 1.83 0.72 2.45 93.40 1.48 0.01 0.07 0.03 38 V H H 38.70 12.32 16.26 29.29 92.55 48.80 -65.88 -41.71 2.00 0.05 97.95 0.72 0.30 1.04 96.70 1.19 0.00 0.04 0.01 39 R H H 68.89 14.50 16.25 30.60 91.89 51.76 -63.40 -41.32 1.59 0.03 98.39 0.41 0.22 0.96 97.47 0.92 0.00 0.01 0.00 40 D H H 73.82 3.87 20.54 24.53 91.90 50.78 -64.95 -40.05 3.46 0.03 96.50 0.58 0.32 2.55 95.61 0.92 0.01 0.02 0.01 41 M H H 71.33 6.84 19.84 27.42 92.36 50.45 -65.59 -41.60 6.96 0.06 92.99 0.74 0.74 5.64 91.86 0.92 0.03 0.02 0.02 42 I H H 20.93 18.01 15.57 33.84 92.66 49.94 -65.61 -41.96 7.57 0.11 92.31 1.17 1.24 5.38 91.31 0.77 0.04 0.04 0.05 43 R H H 99.10 11.36 17.29 28.74 92.17 52.38 -64.14 -40.29 5.55 0.08 94.38 1.18 0.69 3.68 92.80 1.57 0.02 0.04 0.03 44 E H H 122.40 3.05 19.77 23.06 93.57 48.55 -69.66 -36.29 6.02 0.07 93.91 0.69 0.61 4.93 91.82 1.84 0.05 0.04 0.03 45 V H H 62.65 10.09 17.91 28.30 100.28 37.37 -86.70 -38.34 11.47 0.08 88.46 0.55 1.06 10.24 86.55 1.42 0.11 0.03 0.04 46 C H H 35.77 14.43 15.91 30.45 102.50 23.38 -104.06 -13.57 25.68 0.24 74.09 1.81 5.12 19.26 72.31 1.10 0.16 0.07 0.17 47 G C S 33.31 7.06 19.39 27.40 100.75 -118.39 82.17 3.64 97.19 0.67 2.14 35.31 43.63 18.36 1.10 0.95 0.00 0.28 0.37 48 F C C 65.16 14.08 16.13 30.22 118.92 88.81 -104.66 137.16 93.90 2.30 3.79 65.62 22.87 4.92 2.61 1.17 0.00 0.77 2.04 49 A C C 27.00 11.97 17.45 30.47 116.81 -132.74 -75.94 155.19 69.91 0.35 29.74 53.00 11.52 3.46 30.62 1.08 0.00 0.10 0.22 50 P H H 61.82 8.76 19.75 29.33 93.10 -107.30 -60.74 -35.82 13.68 0.08 86.24 3.31 2.37 8.18 84.03 2.01 0.03 0.03 0.05 51 Y H H 71.60 14.26 19.68 33.50 92.56 52.28 -66.13 -38.72 7.82 0.07 92.12 1.74 1.04 5.11 89.87 2.16 0.02 0.03 0.03 52 E H H 49.48 16.13 19.04 34.51 92.94 50.21 -66.04 -40.46 3.05 0.02 96.93 0.99 0.39 1.58 95.67 1.36 0.00 0.01 0.01 53 R H H 107.96 7.95 22.67 30.88 92.00 50.89 -65.17 -41.60 1.15 0.01 98.84 0.31 0.12 0.58 98.47 0.51 0.00 0.00 0.00 54 R H H 92.15 9.16 23.28 32.52 92.10 49.63 -65.40 -40.74 1.18 0.01 98.81 0.22 0.09 0.73 98.42 0.53 0.00 0.00 0.00 55 A H H 7.59 20.26 18.35 38.74 92.14 51.06 -64.44 -41.69 1.28 0.00 98.72 0.18 0.08 0.83 98.39 0.51 0.00 0.00 0.00 56 M H H 51.15 12.39 21.61 34.24 91.57 51.92 -63.03 -41.47 0.73 0.00 99.27 0.09 0.05 0.48 98.81 0.57 0.00 0.00 0.00 57 E H H 82.22 4.77 23.68 28.48 91.47 51.22 -64.13 -41.33 1.02 0.00 98.98 0.09 0.05 0.77 98.11 0.98 0.00 0.00 0.00 58 L H H 27.14 14.27 18.14 33.29 91.60 51.19 -64.58 -40.58 1.26 0.00 98.74 0.09 0.07 0.99 96.98 1.87 0.00 0.00 0.00 59 L H H 29.85 17.13 15.16 32.30 91.61 52.90 -65.55 -36.03 4.09 0.01 95.90 0.29 0.26 3.40 92.84 3.18 0.01 0.00 0.00 60 K H H 134.05 3.29 19.56 23.46 92.79 51.26 -71.47 -31.59 16.60 0.03 83.37 0.62 0.89 15.28 80.96 2.20 0.03 0.01 0.02 61 V H H 84.51 4.77 16.80 22.19 100.40 35.93 -97.91 -22.57 35.42 0.20 64.38 2.62 5.66 27.04 62.70 1.67 0.09 0.06 0.16 62 S C C 33.44 14.46 9.98 24.17 122.23 66.89 -107.42 147.83 90.43 0.74 8.83 53.26 16.06 20.85 7.26 1.71 0.00 0.25 0.61 63 K C C 167.61 1.38 17.12 18.26 95.85 -141.64 -71.97 -0.37 97.23 0.48 2.29 42.12 37.22 18.07 0.97 1.10 0.00 0.19 0.32 64 D C C 51.54 10.75 11.29 23.54 108.22 120.13 -84.76 112.33 97.12 0.61 2.27 82.91 12.16 2.00 1.63 0.59 0.00 0.18 0.54 65 K H H 136.40 4.11 15.77 21.91 93.74 -168.38 -66.33 -29.98 9.70 0.05 90.25 3.68 2.10 3.64 89.59 0.94 0.00 0.02 0.03 66 R H H 128.07 3.56 19.64 23.27 91.74 58.42 -64.95 -40.37 2.73 0.01 97.26 0.55 0.32 1.69 96.52 0.90 0.00 0.00 0.00 67 A H H 10.60 16.14 15.42 32.69 92.00 50.28 -63.96 -42.33 1.12 0.01 98.87 0.30 0.11 0.61 97.83 1.15 0.00 0.00 0.00 68 L H H 26.97 15.74 16.26 32.48 91.61 51.42 -63.19 -41.71 0.48 0.00 99.51 0.12 0.04 0.25 98.98 0.60 0.00 0.00 0.00 69 K H H 111.90 2.54 23.29 24.80 91.65 50.72 -64.15 -41.75 0.53 0.00 99.46 0.09 0.04 0.32 99.24 0.31 0.00 0.00 0.00 70 F H H 62.41 7.60 20.30 28.94 91.76 49.63 -64.40 -42.69 0.91 0.01 99.08 0.10 0.06 0.65 98.82 0.37 0.00 0.00 0.00 71 I H H 10.34 19.87 13.90 34.28 91.54 49.54 -64.15 -42.42 1.44 0.01 98.55 0.17 0.14 0.99 98.47 0.22 0.00 0.00 0.00 72 K H H 89.46 9.99 15.93 26.60 91.79 51.87 -63.74 -39.27 1.99 0.01 98.01 0.22 0.16 1.36 97.92 0.33 0.00 0.00 0.00 73 K H H 152.51 1.17 18.66 18.50 92.36 50.54 -67.51 -35.93 3.77 0.01 96.22 0.17 0.20 3.31 95.78 0.53 0.01 0.00 0.00 74 R H H 123.01 6.09 16.43 23.36 99.37 36.48 -86.01 -36.09 8.26 0.01 91.72 0.20 0.47 7.70 91.10 0.50 0.02 0.00 0.01 75 V H H 47.64 12.09 12.25 24.95 104.17 25.39 -106.02 -17.44 18.64 0.10 81.26 1.36 3.70 12.73 81.68 0.39 0.05 0.02 0.07 76 G C C 47.18 2.72 17.03 20.21 104.43 -125.89 80.50 -11.30 98.92 0.32 0.76 49.41 43.24 6.36 0.38 0.28 0.00 0.11 0.21 77 T C C 61.62 3.54 17.43 21.46 132.09 25.75 -135.96 162.99 96.73 1.19 2.08 49.67 45.15 1.75 1.78 0.33 0.00 0.25 1.07 78 H H H 104.07 9.56 13.04 23.56 92.27 -111.24 -62.20 -35.81 10.51 0.07 89.41 2.62 5.15 3.18 88.46 0.52 0.01 0.01 0.04 79 I H H 112.13 1.66 19.16 19.65 91.92 53.42 -63.72 -42.46 2.57 0.01 97.42 0.34 0.35 1.62 97.27 0.42 0.00 0.00 0.00 80 R H H 94.81 5.37 18.49 24.79 91.90 47.43 -65.78 -39.80 1.03 0.00 98.96 0.21 0.10 0.60 98.59 0.49 0.00 0.00 0.00 81 A H H 7.07 17.56 12.39 31.03 91.02 52.34 -62.75 -42.81 0.42 0.00 99.58 0.09 0.03 0.21 99.46 0.21 0.00 0.00 0.00 82 K H H 104.29 4.73 20.69 25.81 91.53 50.60 -63.91 -41.23 0.32 0.00 99.68 0.05 0.02 0.17 99.67 0.08 0.00 0.00 0.00 83 R H H 130.41 2.00 22.00 22.48 91.64 49.64 -64.48 -41.68 0.25 0.00 99.75 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 84 K H H 62.29 12.23 17.97 30.60 92.39 49.43 -65.54 -40.59 0.21 0.00 99.79 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 85 R H H 82.25 13.72 17.46 30.94 91.67 52.00 -63.25 -41.37 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 86 E H H 109.41 2.10 22.41 23.03 91.59 49.94 -63.89 -41.77 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 87 E H H 91.14 4.57 21.42 26.12 91.77 49.25 -64.92 -41.40 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 88 L H H 26.12 15.96 16.44 32.99 91.85 49.79 -64.43 -41.13 0.41 0.00 99.59 0.04 0.02 0.26 99.61 0.07 0.00 0.00 0.00 89 S H H 48.65 6.83 20.06 27.68 91.52 51.83 -63.44 -40.31 0.67 0.00 99.33 0.06 0.03 0.44 99.40 0.07 0.00 0.00 0.00 90 N H H 93.55 2.55 22.09 23.61 92.11 49.76 -65.87 -40.32 0.51 0.00 99.49 0.06 0.02 0.31 99.56 0.05 0.00 0.00 0.00 91 V H H 46.87 9.38 18.98 29.41 92.15 50.17 -64.73 -42.82 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 92 L H H 51.00 9.91 18.37 29.34 91.61 49.18 -64.05 -41.72 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 93 A H H 50.25 3.49 19.70 23.37 91.54 50.70 -63.43 -41.62 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 94 A H H 46.77 4.29 17.96 23.14 91.75 50.39 -64.29 -41.21 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 95 M H H 74.54 7.93 16.21 25.35 92.19 50.18 -65.02 -40.96 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 96 R H H 129.17 3.42 16.53 20.69 91.73 50.37 -64.30 -40.81 0.31 0.00 99.68 0.03 0.01 0.20 99.71 0.05 0.00 0.00 0.00 97 K H H 125.59 1.67 16.05 17.18 92.07 49.87 -65.12 -40.10 0.85 0.00 99.15 0.09 0.05 0.55 99.16 0.15 0.00 0.00 0.00 98 A H H 53.71 3.97 12.70 18.24 92.21 50.75 -65.91 -38.79 2.94 0.00 97.06 0.26 0.19 2.14 96.99 0.41 0.00 0.00 0.00 99 A H H 68.25 3.53 11.36 16.36 92.90 52.56 -68.90 -30.41 13.20 0.02 86.78 1.00 0.89 10.42 87.02 0.64 0.01 0.01 0.01 100 A H H 81.98 1.71 10.23 12.86 95.81 56.83 -77.09 -16.23 45.12 0.15 54.74 13.48 1.36 27.63 56.49 0.90 0.00 0.04 0.10 101 K C C 149.24 2.28 11.50 15.10 103.34 77.47 -78.71 21.35 99.87 0.03 0.10 99.42 0.19 0.28 0.08 0.01 0.00 0.01 0.01