# 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 51.03 10.95 14.86 26.30 117.04 -136.17 -83.33 145.00 99.90 0.09 0.01 99.85 0.07 0.02 0.01 0.00 0.00 0.04 0.01 1 L C C 84.80 9.67 12.83 23.36 113.22 -111.79 -79.80 134.23 92.19 6.06 1.75 90.37 0.89 1.67 0.69 0.65 0.00 3.50 2.23 2 R C C 150.02 5.11 13.58 20.36 112.08 -156.68 -98.68 121.72 85.49 12.61 1.90 63.59 17.13 4.38 0.66 1.33 0.00 6.90 6.02 3 Y C C 88.86 11.09 11.62 23.60 121.99 -157.00 -117.58 131.84 86.13 12.54 1.33 57.01 27.28 2.48 0.52 0.84 0.00 7.92 3.95 4 P C C 81.55 6.30 17.03 24.13 102.85 -128.25 -70.96 37.14 84.51 11.26 4.23 55.88 20.71 8.18 1.49 2.78 0.00 8.34 2.63 5 M C C 73.12 11.57 13.94 26.05 123.84 115.06 -114.86 141.97 70.19 23.09 6.73 49.83 12.87 6.31 3.36 3.71 0.07 13.69 10.16 6 A C C 41.78 11.48 14.15 26.61 115.08 -132.33 -90.61 132.73 68.99 24.69 6.33 54.22 8.72 4.76 3.28 3.40 0.02 17.38 8.22 7 V C C 73.33 8.83 14.30 24.33 120.76 -167.47 -115.60 135.33 66.30 25.63 8.07 37.33 18.10 12.36 3.66 4.51 0.18 15.64 8.22 8 G C C 37.42 6.71 14.76 22.42 120.21 21.42 109.35 -153.13 79.39 11.84 8.77 33.93 27.60 19.07 2.53 6.02 0.03 7.24 3.58 9 L C T 112.99 5.08 13.20 19.48 97.30 -49.07 -74.54 -19.42 81.03 4.64 14.33 17.75 27.89 36.13 2.88 10.78 0.03 2.58 1.95 10 N C T 96.76 5.08 11.63 18.14 103.64 61.46 -94.79 36.25 79.46 6.39 14.15 21.97 23.00 34.94 2.43 11.53 0.03 3.40 2.70 11 K C T 139.25 4.26 10.88 17.11 107.18 149.32 -70.95 112.71 81.34 6.21 12.45 16.08 18.59 46.59 2.42 10.11 0.04 3.66 2.52 12 G C T 56.08 2.73 13.28 17.04 99.08 13.63 82.75 -0.06 86.75 6.99 6.26 20.16 22.58 44.66 1.14 5.00 0.01 4.82 1.61 13 H C C 94.52 7.51 10.25 19.38 117.51 121.49 -89.85 138.72 79.65 16.89 3.47 57.00 18.03 4.40 1.38 2.29 0.01 11.31 5.59 14 K C C 139.97 3.07 14.83 19.23 113.05 -118.06 -76.92 137.48 67.87 29.92 2.21 57.99 6.13 1.99 1.28 1.09 0.01 17.24 14.26 15 V C C 78.20 10.39 9.95 20.90 114.95 -138.74 -92.52 132.70 79.74 18.35 1.91 67.66 9.15 2.08 1.12 0.96 0.00 12.36 6.68 16 T C C 60.86 7.01 11.60 20.22 123.80 -155.39 -106.47 155.27 84.89 12.84 2.27 72.12 9.45 2.62 1.30 1.10 0.00 7.88 5.53 17 K C S 163.63 1.64 12.96 15.46 95.59 -120.81 -71.16 -21.54 91.80 3.39 4.81 21.39 38.57 32.66 1.83 2.44 0.01 2.14 0.97 18 N C C 99.15 3.99 11.20 16.75 105.83 59.56 -94.46 79.01 92.37 3.46 4.16 35.25 26.13 31.70 1.33 2.47 0.00 2.05 1.08 19 V C C 82.53 8.33 8.93 18.16 102.87 159.86 -85.76 10.05 88.70 5.48 5.82 56.31 18.82 13.46 2.56 3.34 0.00 3.22 2.29 20 S C C 79.13 3.20 12.25 16.79 100.52 88.14 -85.82 -9.04 91.31 4.71 3.98 53.15 27.03 11.24 1.71 2.29 0.00 2.82 1.75 21 K C C 134.05 2.83 14.07 18.15 119.42 68.21 -99.22 141.29 94.35 3.36 2.29 48.51 44.39 1.78 1.69 0.67 0.00 1.76 1.20 22 P C C 70.97 9.16 11.44 21.89 114.62 -104.68 -65.94 146.77 93.29 3.77 2.94 85.07 5.97 2.07 1.76 1.09 0.00 1.98 2.07 23 R C C 94.75 9.13 11.84 22.32 116.01 -119.14 -80.45 145.67 91.19 3.03 5.78 82.42 6.46 2.05 3.60 1.89 0.00 1.04 2.53 24 H H G 118.20 4.89 14.33 20.53 95.92 -112.37 -64.46 -31.75 43.55 1.47 54.98 16.89 8.92 18.00 19.07 35.59 0.03 0.75 0.74 25 S H G 51.75 8.61 12.25 22.15 95.04 61.37 -72.26 -18.47 37.34 0.86 61.80 10.45 6.90 19.32 20.86 41.58 0.03 0.45 0.42 26 R H G 121.68 7.69 13.37 22.22 97.00 63.83 -81.96 -8.24 34.68 1.10 64.22 12.19 7.06 15.33 23.31 41.01 0.03 0.58 0.49 27 R C G 124.45 7.26 12.85 21.37 103.00 72.93 -89.59 12.71 51.25 2.32 46.43 22.33 11.08 18.28 21.26 24.56 0.08 1.09 1.33 28 R C T 146.54 4.65 13.13 19.36 109.66 99.30 -89.06 106.49 72.68 3.02 24.31 25.87 17.53 30.23 13.57 9.57 0.06 1.35 1.81 29 G C C 41.69 6.09 13.31 20.59 116.59 -17.87 90.54 1.15 86.85 2.07 11.09 30.76 27.78 29.05 4.00 6.33 0.01 1.01 1.06 30 R C C 154.06 3.67 14.55 19.53 116.04 -59.68 -89.85 134.04 88.64 4.35 7.02 68.63 12.78 6.75 3.11 3.88 0.00 2.10 2.74 31 L C C 79.55 11.41 10.33 22.16 112.02 -122.03 -79.93 128.77 91.16 4.87 3.97 78.54 9.41 2.76 2.30 1.60 0.00 2.16 3.24 32 T C C 61.28 6.36 12.44 20.36 121.70 -141.99 -97.84 159.88 93.22 3.65 3.14 81.51 9.21 2.08 2.17 0.95 0.00 1.33 2.75 33 K C T 159.97 1.82 13.56 16.13 92.94 -104.73 -64.29 -27.42 65.46 0.55 33.99 6.94 16.16 42.28 23.64 10.22 0.07 0.24 0.45 34 H C T 121.45 4.40 12.72 18.18 97.77 55.67 -83.89 -9.88 67.11 0.76 32.13 9.89 13.62 43.33 23.24 9.00 0.05 0.35 0.52 35 T C C 42.64 10.89 10.56 22.28 103.20 64.15 -86.55 8.83 56.11 1.66 42.23 39.83 8.31 8.38 35.28 6.57 0.01 0.68 0.94 36 K H H 121.79 4.20 14.76 20.36 93.82 90.36 -63.62 -38.68 11.29 0.23 88.48 5.94 1.99 3.77 86.44 1.66 0.01 0.11 0.09 37 F H H 124.31 2.41 17.30 19.56 92.45 52.35 -65.65 -40.75 5.26 0.13 94.61 1.92 0.80 2.67 92.85 1.63 0.02 0.08 0.03 38 V H H 44.98 10.74 15.96 27.64 92.48 48.75 -65.95 -41.51 2.19 0.06 97.75 0.79 0.32 1.14 96.33 1.36 0.01 0.05 0.01 39 R H H 72.71 13.51 15.88 29.48 91.92 51.51 -63.68 -41.08 1.78 0.03 98.19 0.46 0.24 1.09 97.07 1.11 0.01 0.02 0.01 40 D H H 72.68 3.98 19.76 24.03 91.97 50.79 -64.87 -40.12 3.94 0.05 96.02 0.64 0.38 2.92 94.89 1.11 0.02 0.02 0.01 41 M H H 75.69 6.07 19.38 26.18 92.36 50.48 -65.71 -41.41 7.97 0.08 91.95 0.88 0.88 6.39 90.58 1.15 0.05 0.04 0.03 42 I H H 26.44 16.27 15.34 32.08 92.64 49.84 -65.69 -41.84 8.79 0.17 91.04 1.54 1.52 6.14 89.49 1.10 0.07 0.07 0.07 43 R H H 101.24 10.75 16.94 27.95 92.31 52.21 -64.42 -40.09 7.34 0.14 92.53 1.64 1.00 4.90 90.03 2.27 0.04 0.07 0.05 44 E H H 121.85 3.03 19.14 22.43 93.83 47.83 -70.17 -36.20 8.57 0.14 91.29 1.11 0.98 6.85 88.26 2.58 0.10 0.07 0.06 45 V H H 67.24 8.98 17.47 26.88 100.37 37.61 -86.93 -37.90 16.09 0.16 83.74 1.04 1.88 13.79 80.84 2.07 0.22 0.06 0.10 46 C H H 40.15 13.34 15.50 29.10 102.05 25.43 -102.87 -12.81 34.96 0.41 64.63 3.09 7.61 24.92 62.16 1.61 0.19 0.12 0.29 47 G C S 35.71 6.77 18.89 26.55 99.63 -118.03 79.85 2.84 95.46 0.81 3.73 31.26 38.67 25.70 2.07 1.50 0.00 0.34 0.45 48 F C C 65.24 13.63 15.56 29.38 117.81 95.54 -106.02 133.28 91.70 2.28 6.02 59.54 24.40 7.34 4.25 1.76 0.00 0.79 1.93 49 A C C 28.51 11.36 17.23 29.77 116.21 -129.47 -75.30 154.97 71.27 0.35 28.39 55.72 10.42 2.99 29.63 0.93 0.00 0.10 0.21 50 P H H 62.91 8.48 19.41 28.73 93.22 -106.19 -60.18 -36.57 12.07 0.08 87.85 3.41 2.09 6.72 85.87 1.82 0.02 0.03 0.04 51 Y H H 77.52 13.36 19.52 32.59 92.86 52.20 -65.76 -39.02 6.69 0.06 93.25 1.57 0.90 4.28 91.25 1.93 0.02 0.02 0.03 52 E H H 51.56 15.45 18.80 33.74 92.93 50.28 -66.03 -40.29 2.89 0.03 97.08 0.93 0.36 1.51 95.82 1.36 0.00 0.01 0.01 53 R H H 106.62 7.90 22.22 30.40 92.07 51.11 -65.27 -41.60 1.17 0.01 98.82 0.32 0.12 0.60 98.42 0.53 0.00 0.00 0.00 54 R H H 94.44 8.73 22.90 31.75 92.13 49.97 -65.15 -40.81 1.20 0.01 98.79 0.23 0.10 0.73 98.40 0.53 0.00 0.00 0.00 55 A H H 9.12 19.20 18.11 37.55 92.13 51.13 -64.57 -41.66 1.26 0.01 98.74 0.19 0.08 0.81 98.41 0.51 0.00 0.00 0.00 56 M H H 53.83 11.70 21.23 33.31 91.61 51.79 -63.10 -41.44 0.73 0.00 99.26 0.10 0.05 0.48 98.80 0.57 0.00 0.00 0.00 57 E H H 83.44 4.59 23.24 27.81 91.49 51.18 -64.19 -41.23 1.08 0.00 98.91 0.10 0.06 0.81 97.99 1.03 0.00 0.00 0.00 58 L H H 30.81 13.39 17.91 32.27 91.64 51.10 -64.73 -40.32 1.41 0.00 98.59 0.10 0.08 1.11 96.69 2.02 0.00 0.00 0.00 59 L H H 32.21 16.44 14.88 31.44 91.63 53.00 -65.56 -35.82 4.52 0.01 95.47 0.34 0.30 3.73 92.15 3.46 0.01 0.00 0.00 60 K H H 135.52 3.08 19.17 22.84 92.72 51.63 -71.06 -32.02 17.78 0.03 82.19 0.71 0.98 16.20 79.61 2.43 0.03 0.01 0.02 61 V H H 86.72 4.40 16.55 21.54 100.41 35.83 -98.12 -22.43 36.48 0.22 63.30 2.83 5.94 27.67 61.43 1.81 0.09 0.06 0.17 62 S C C 33.90 14.12 9.78 23.72 121.42 68.29 -105.06 146.97 89.54 0.77 9.68 53.25 16.10 19.79 8.21 1.75 0.00 0.26 0.65 63 K C C 168.82 1.29 16.82 17.79 95.93 -143.29 -71.01 0.00 97.04 0.50 2.46 43.04 37.24 16.94 1.15 1.10 0.00 0.20 0.33 64 D C C 53.02 10.32 11.14 23.02 108.33 120.61 -84.90 111.77 96.85 0.63 2.52 82.26 12.34 2.18 1.85 0.64 0.00 0.19 0.55 65 K H H 136.80 4.02 15.49 21.53 93.77 -168.21 -66.40 -30.38 9.63 0.05 90.32 3.74 2.11 3.51 89.70 0.89 0.00 0.02 0.03 66 R H H 129.82 3.39 19.31 22.75 91.75 58.31 -65.00 -40.17 2.63 0.01 97.36 0.54 0.31 1.61 96.70 0.83 0.01 0.00 0.00 67 A H H 11.82 15.52 15.31 32.02 91.98 50.36 -64.03 -42.32 1.10 0.01 98.89 0.30 0.11 0.59 97.96 1.03 0.00 0.00 0.00 68 L H H 28.49 15.35 16.04 31.94 91.65 51.50 -63.19 -41.73 0.47 0.00 99.53 0.12 0.04 0.24 99.06 0.54 0.00 0.00 0.00 69 K H H 111.88 2.52 23.00 24.51 91.67 50.70 -64.13 -41.79 0.48 0.00 99.51 0.08 0.03 0.29 99.33 0.27 0.00 0.00 0.00 70 F H H 64.59 7.27 20.15 28.42 91.72 49.69 -64.32 -42.61 0.79 0.00 99.21 0.09 0.05 0.55 98.98 0.33 0.00 0.00 0.00 71 I H H 11.15 19.46 13.83 33.85 91.55 49.63 -64.08 -42.41 1.21 0.01 98.78 0.15 0.11 0.82 98.71 0.20 0.00 0.00 0.00 72 K H H 90.18 9.86 15.91 26.47 91.78 51.89 -63.74 -39.22 1.73 0.01 98.27 0.19 0.13 1.18 98.20 0.29 0.00 0.00 0.00 73 K H H 152.34 1.17 18.63 18.49 92.30 50.64 -67.38 -36.05 3.50 0.01 96.49 0.15 0.17 3.07 96.08 0.50 0.00 0.00 0.00 74 R H H 123.35 6.01 16.41 23.25 99.45 36.84 -85.99 -36.10 7.95 0.01 92.03 0.19 0.44 7.41 91.44 0.48 0.02 0.00 0.01 75 V H H 47.36 12.08 12.20 24.90 103.97 26.01 -105.65 -17.37 18.60 0.10 81.30 1.44 3.75 12.57 81.70 0.39 0.05 0.02 0.07 76 G C C 47.12 2.76 16.96 20.22 102.93 -126.90 79.50 -8.83 98.89 0.34 0.77 49.76 43.00 6.23 0.39 0.29 0.00 0.12 0.22 77 T C C 61.50 3.57 17.39 21.48 132.21 24.68 -135.48 163.25 96.63 1.26 2.11 48.51 46.27 1.68 1.82 0.33 0.00 0.27 1.12 78 H H H 104.58 9.36 13.04 23.42 92.31 -111.58 -61.98 -35.97 10.04 0.07 89.89 2.40 4.90 3.15 88.97 0.52 0.01 0.01 0.04 79 I H H 112.37 1.64 19.03 19.50 91.93 53.33 -63.78 -42.42 2.56 0.00 97.43 0.34 0.34 1.62 97.28 0.42 0.00 0.00 0.00 80 R H H 95.97 5.26 18.41 24.58 91.93 47.53 -65.73 -39.85 1.02 0.00 98.97 0.21 0.10 0.60 98.60 0.48 0.00 0.00 0.00 81 A H H 7.44 17.16 12.35 30.65 91.10 52.36 -62.64 -42.75 0.42 0.00 99.58 0.08 0.03 0.21 99.46 0.20 0.00 0.00 0.00 82 K H H 104.51 4.53 20.61 25.50 91.52 50.56 -63.98 -41.18 0.32 0.00 99.68 0.06 0.02 0.17 99.67 0.08 0.00 0.00 0.00 83 R H H 129.66 2.00 21.79 22.27 91.62 49.72 -64.39 -41.70 0.24 0.00 99.76 0.03 0.01 0.13 99.77 0.05 0.00 0.00 0.00 84 K H H 63.03 11.91 17.74 30.15 92.34 49.56 -65.50 -40.61 0.21 0.00 99.79 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 85 R H H 85.13 13.17 17.37 30.41 91.73 52.00 -63.27 -41.43 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 86 E H H 111.60 1.98 22.11 22.54 91.61 49.87 -64.01 -41.66 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 87 E H H 94.12 4.22 21.14 25.44 91.71 49.23 -64.98 -41.36 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 88 L H H 28.45 15.35 16.17 32.21 91.82 49.71 -64.47 -41.13 0.45 0.00 99.55 0.04 0.02 0.29 99.57 0.07 0.00 0.00 0.00 89 S H H 50.06 6.22 19.91 26.91 91.49 51.68 -63.56 -40.32 0.63 0.00 99.36 0.07 0.03 0.41 99.43 0.07 0.00 0.00 0.00 90 S H H 63.47 2.58 21.62 23.10 92.07 50.15 -65.69 -40.38 0.56 0.00 99.44 0.06 0.03 0.34 99.51 0.05 0.00 0.00 0.00 91 V H H 48.43 9.06 18.63 28.79 92.12 50.09 -64.70 -42.77 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 92 L H H 53.93 9.30 18.16 28.59 91.70 49.36 -64.07 -41.73 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 93 A H H 51.72 3.16 19.75 22.82 91.50 50.39 -63.54 -41.87 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 94 A H H 47.62 4.26 18.14 23.22 91.91 50.40 -64.34 -41.49 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 77.04 8.01 16.69 25.81 92.11 50.09 -64.90 -40.93 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 96 R H H 131.05 3.32 17.58 21.51 91.70 50.40 -63.90 -41.06 0.24 0.00 99.76 0.02 0.01 0.14 99.78 0.04 0.00 0.00 0.00 97 K H H 120.50 1.77 17.85 18.67 91.92 49.51 -64.91 -41.26 0.51 0.00 99.49 0.06 0.03 0.30 99.53 0.08 0.00 0.00 0.00 98 A H H 42.52 4.11 14.42 20.22 91.72 50.34 -64.26 -41.04 1.12 0.00 98.88 0.15 0.08 0.70 98.88 0.20 0.00 0.00 0.00 99 A H H 46.76 4.40 12.88 19.08 92.02 51.02 -64.21 -39.54 3.74 0.01 96.25 0.46 0.29 2.57 96.21 0.47 0.00 0.00 0.00 100 A H H 70.02 1.93 12.30 14.77 92.41 52.00 -66.78 -35.83 13.34 0.04 86.62 1.87 1.25 9.52 86.27 1.04 0.01 0.01 0.03 101 K H H 152.29 1.12 11.07 12.38 94.18 53.18 -71.97 -26.55 34.27 0.29 65.44 7.94 4.78 21.74 63.75 1.49 0.03 0.10 0.18 102 K C H 144.81 2.19 8.92 12.51 99.62 58.64 -81.51 -6.34 61.55 0.35 38.10 31.59 2.09 25.36 39.27 1.35 0.00 0.12 0.22 103 D C C 114.77 2.14 11.27 14.68 104.21 -136.52 -78.21 66.02 99.92 0.02 0.06 99.69 0.10 0.15 0.04 0.00 0.00 0.01 0.00