# 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 M C C 95.22 10.41 13.68 24.51 118.21 -158.21 -94.61 133.54 99.36 0.60 0.04 99.27 0.21 0.09 0.01 0.01 0.00 0.34 0.08 1 S C C 74.31 4.69 13.10 19.41 116.82 -162.69 -101.04 145.36 86.93 8.56 4.52 76.04 2.76 8.09 1.58 2.46 0.00 6.01 3.05 2 G C C 47.81 5.46 12.03 18.93 111.58 -107.89 89.91 -110.94 85.91 8.24 5.84 44.94 21.83 19.73 1.31 4.58 0.00 5.16 2.43 3 R C C 154.90 4.39 13.26 19.03 107.39 26.42 -90.01 62.33 82.88 9.15 7.97 41.43 20.57 21.66 1.90 5.98 0.01 5.23 3.21 4 G C C 38.67 8.30 11.68 20.93 114.31 14.80 83.25 166.02 85.48 6.66 7.86 43.91 21.50 20.48 1.89 6.03 0.01 3.59 2.60 5 K C C 147.33 3.33 14.38 18.98 107.29 -78.41 -86.69 99.68 84.23 6.70 9.07 40.31 19.74 24.77 2.12 6.74 0.01 3.44 2.86 6 G C C 49.82 4.80 13.52 19.74 107.90 0.42 84.36 4.50 86.74 4.80 8.45 33.52 23.39 30.38 1.73 6.51 0.01 2.43 2.02 7 G C C 40.00 8.03 12.00 21.02 117.44 -89.62 75.84 173.54 85.71 5.43 8.86 42.94 23.23 19.66 1.92 7.03 0.01 2.68 2.52 8 K C C 146.60 3.19 14.56 19.05 108.15 -115.09 -92.46 85.60 81.42 8.11 10.47 41.32 20.16 20.59 2.75 7.46 0.02 4.11 3.59 9 G C C 43.82 6.52 12.78 20.43 112.00 -61.36 72.53 -4.34 83.65 6.50 9.85 39.63 21.72 22.93 2.44 7.17 0.01 3.37 2.72 10 L C C 100.26 7.58 12.32 20.83 108.16 -60.98 -88.75 60.86 81.66 7.77 10.57 37.30 21.65 23.68 3.34 6.69 0.03 3.97 3.35 11 G C C 41.95 5.71 12.70 19.76 115.80 -16.26 83.29 -155.67 84.62 5.57 9.80 38.45 24.75 22.25 3.36 5.91 0.01 2.72 2.53 12 K C C 154.09 2.47 13.05 16.77 108.19 -62.68 -80.91 107.44 78.30 4.24 17.46 29.81 21.78 27.80 8.07 8.34 0.04 1.99 2.17 13 G C T 53.23 3.10 13.04 17.27 103.60 12.98 67.29 -9.51 77.42 2.15 20.43 23.22 20.93 34.09 10.86 8.63 0.03 0.99 1.25 14 G C C 41.55 6.02 12.60 19.90 108.40 -26.64 50.69 -59.21 66.98 2.00 31.01 30.98 18.17 19.01 19.97 9.80 0.04 0.83 1.21 15 A C H 54.32 8.41 11.30 20.84 109.13 37.76 -81.87 130.50 48.71 2.80 48.49 28.06 11.40 11.12 37.26 9.54 0.06 1.45 1.11 16 K H H 129.93 3.80 14.38 19.42 105.86 -119.67 -80.64 61.79 39.25 3.71 57.03 24.82 7.83 8.83 46.32 8.71 0.06 2.31 1.13 17 R H H 135.09 5.22 14.29 20.77 104.48 51.44 -77.36 0.36 33.32 3.61 63.07 22.63 5.92 7.05 53.84 7.16 0.04 2.40 0.97 18 H H H 83.83 11.03 13.04 24.60 103.88 53.14 -80.06 -6.27 30.11 2.31 67.59 22.04 4.57 5.59 61.04 4.70 0.02 1.45 0.61 19 R H H 118.35 8.92 14.86 24.48 99.23 55.40 -72.34 -30.14 18.75 1.35 79.90 13.19 2.97 4.18 74.67 3.77 0.01 0.91 0.30 20 K H H 119.38 4.32 16.96 22.05 99.10 51.81 -72.88 -33.99 13.65 1.66 84.69 8.70 2.21 3.94 79.35 4.15 0.02 1.32 0.29 21 V H H 59.82 9.02 15.30 25.43 99.77 50.78 -74.25 -36.15 11.70 2.03 86.27 7.10 1.87 3.70 80.96 4.26 0.03 1.78 0.30 22 L H H 52.20 13.69 13.64 27.49 99.33 51.43 -73.35 -30.73 12.89 1.72 85.40 7.56 2.12 4.35 79.29 4.89 0.03 1.44 0.32 23 R H H 120.95 8.33 16.14 25.10 96.91 54.42 -70.62 -31.56 16.35 1.20 82.46 7.41 2.82 7.29 75.15 6.09 0.06 0.87 0.32 24 D H H 93.44 4.38 17.10 22.28 98.02 51.45 -76.20 -22.19 25.27 0.65 74.07 6.49 3.97 15.35 65.68 7.71 0.14 0.38 0.27 25 N H H 79.52 8.90 16.55 25.86 101.30 45.42 -91.80 3.77 39.43 0.74 59.82 9.66 5.78 24.56 50.71 8.38 0.12 0.39 0.38 26 I C H 38.30 18.98 11.62 29.30 101.48 88.21 -90.52 11.21 55.81 3.37 40.81 24.76 8.78 23.73 29.51 9.63 0.14 1.74 1.71 27 Q C T 120.79 4.54 17.04 23.17 106.53 126.48 -73.56 108.74 80.53 2.15 17.32 11.83 7.28 60.48 12.97 5.09 0.06 1.24 1.06 28 G C T 50.01 4.46 19.03 23.98 98.70 22.67 82.84 -1.77 91.41 1.10 7.49 11.96 11.02 68.82 3.36 3.70 0.00 0.72 0.42 29 I C C 25.61 21.09 10.09 30.24 115.47 116.26 -89.57 128.52 94.35 4.49 1.16 79.42 13.74 0.85 0.81 0.37 0.00 1.73 3.07 30 T C C 68.07 4.13 22.05 25.80 123.55 -144.65 -89.71 160.04 95.99 2.97 1.04 94.18 1.64 0.29 0.92 0.12 0.00 0.88 1.97 31 K H H 103.55 11.94 14.70 26.81 92.46 -105.22 -58.59 -39.85 2.58 0.02 97.41 0.66 0.47 1.24 97.31 0.32 0.00 0.01 0.00 32 P H H 77.08 2.58 20.54 22.45 91.60 52.76 -63.42 -39.21 1.45 0.01 98.54 0.27 0.13 0.89 98.30 0.39 0.00 0.00 0.00 33 A H H 25.49 9.64 17.87 29.23 91.83 50.93 -64.79 -40.86 0.54 0.01 99.45 0.13 0.06 0.28 99.18 0.35 0.00 0.00 0.00 34 I H H 12.09 21.25 14.92 36.18 91.95 50.17 -64.56 -42.25 0.38 0.01 99.61 0.10 0.05 0.18 99.53 0.13 0.00 0.00 0.00 35 R H H 109.85 8.13 20.56 29.09 91.55 50.86 -63.32 -41.31 0.68 0.02 99.31 0.18 0.08 0.34 99.31 0.08 0.00 0.01 0.00 36 R H H 123.82 2.66 22.40 24.13 91.81 49.95 -64.49 -42.07 0.92 0.02 99.06 0.21 0.11 0.51 99.04 0.11 0.00 0.01 0.00 37 L H H 31.63 12.69 17.60 31.41 92.20 49.91 -64.76 -41.99 1.33 0.06 98.61 0.33 0.18 0.76 98.43 0.26 0.01 0.03 0.01 38 A H H 18.21 15.82 13.91 30.24 92.05 51.59 -63.96 -40.50 2.95 0.06 96.98 0.68 0.28 1.88 96.44 0.66 0.01 0.04 0.01 39 R H H 161.05 2.25 17.85 20.55 92.28 49.87 -66.31 -38.03 7.76 0.10 92.14 0.93 0.64 6.02 91.18 1.11 0.03 0.05 0.03 40 R H H 157.81 2.33 16.09 18.84 93.46 52.02 -70.85 -26.90 22.50 0.16 77.34 1.39 1.96 19.42 75.34 1.63 0.10 0.07 0.10 41 G C T 35.73 9.20 12.92 22.91 97.83 46.23 -87.63 -5.40 68.26 0.16 31.58 2.13 5.35 58.99 31.49 1.83 0.02 0.06 0.13 42 G C T 53.05 2.52 17.73 20.27 97.81 -112.28 80.38 11.46 98.49 0.28 1.22 22.47 10.36 65.87 0.47 0.57 0.00 0.17 0.09 43 V C C 36.77 16.64 8.30 24.26 114.32 148.23 -83.14 129.37 92.62 5.98 1.41 88.62 3.11 1.13 0.50 0.73 0.00 4.30 1.62 44 K C C 159.34 1.52 18.12 19.41 99.82 -172.22 -91.35 -23.52 91.24 7.47 1.29 60.86 26.67 3.90 0.31 1.05 0.00 6.36 0.85 45 R C C 143.84 3.62 18.80 23.33 126.67 21.00 -131.94 139.28 62.18 35.93 1.89 48.25 10.63 3.48 0.60 1.42 0.01 32.83 2.79 46 I E C 40.83 19.94 9.98 28.39 119.13 -166.74 -115.33 127.13 46.62 52.11 1.27 42.26 2.40 0.52 0.97 0.53 0.00 40.93 12.39 47 S C C 57.76 4.25 17.90 22.77 124.99 -161.69 -107.92 164.19 79.07 19.33 1.60 74.71 3.00 0.92 1.15 0.46 0.00 18.16 1.59 48 G H H 47.39 3.68 17.01 21.14 103.78 -19.21 18.82 -66.40 33.80 0.70 65.50 5.14 9.79 20.41 58.59 5.15 0.25 0.33 0.33 49 L H H 98.19 3.76 16.76 21.09 93.55 28.01 -67.90 -34.41 19.96 0.35 79.69 3.30 3.26 14.08 73.53 5.34 0.14 0.19 0.15 50 I H H 41.48 12.53 15.16 28.60 92.28 53.48 -65.13 -40.72 10.67 0.42 88.91 3.78 1.83 5.93 82.72 5.28 0.06 0.29 0.12 51 Y H H 61.16 14.43 15.23 29.83 91.91 52.60 -63.26 -42.24 3.70 0.18 96.12 1.69 0.60 1.70 93.92 1.91 0.01 0.13 0.03 52 E H H 117.47 2.85 20.45 23.24 91.85 49.60 -65.02 -40.53 2.82 0.09 97.09 0.83 0.35 1.63 95.61 1.50 0.01 0.07 0.01 53 E H H 99.46 4.68 20.53 25.43 92.71 47.03 -66.64 -40.93 4.86 0.05 95.08 0.68 0.44 3.56 93.82 1.45 0.01 0.03 0.01 54 T H H 18.10 17.94 16.53 34.41 93.69 46.55 -69.46 -40.31 9.50 0.06 90.44 1.21 0.86 7.08 89.80 0.99 0.01 0.02 0.02 55 R H H 87.18 13.41 19.09 32.04 92.02 53.51 -62.32 -41.36 4.28 0.02 95.69 0.94 0.42 2.68 95.47 0.46 0.00 0.01 0.01 56 G H H 33.84 3.37 22.28 25.33 91.61 50.96 -63.78 -41.60 3.14 0.01 96.86 0.44 0.24 2.28 96.50 0.54 0.00 0.00 0.00 57 V H H 50.91 8.75 21.12 30.57 91.88 49.37 -65.13 -42.25 0.60 0.00 99.40 0.12 0.04 0.35 99.27 0.21 0.00 0.00 0.00 58 L H H 21.94 18.67 17.66 36.39 91.92 50.63 -64.29 -42.34 0.14 0.00 99.86 0.03 0.01 0.07 99.84 0.05 0.00 0.00 0.00 59 K H H 96.35 8.57 21.04 29.94 91.64 51.82 -63.41 -41.28 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 60 V H H 74.19 3.54 22.66 25.67 91.60 49.88 -64.08 -42.54 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 61 F H H 59.36 12.00 20.41 32.59 91.91 48.96 -64.67 -42.67 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 62 L H H 27.85 17.36 18.19 35.58 91.86 49.86 -64.70 -41.83 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 63 E H H 91.82 6.18 21.73 28.31 91.74 51.43 -64.18 -41.15 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 64 N H H 72.57 5.00 22.53 27.51 92.06 49.18 -66.10 -40.48 0.36 0.00 99.63 0.02 0.01 0.26 99.68 0.03 0.00 0.00 0.00 65 V H H 25.67 15.47 19.40 35.21 92.28 49.24 -65.10 -43.05 0.48 0.00 99.51 0.06 0.02 0.31 99.57 0.04 0.00 0.00 0.00 66 I H H 42.05 14.58 19.81 34.33 91.68 50.28 -63.81 -42.55 0.40 0.00 99.60 0.09 0.03 0.21 99.57 0.10 0.00 0.00 0.00 67 R H H 131.25 3.12 23.99 26.74 91.48 50.06 -63.68 -41.88 0.47 0.00 99.53 0.08 0.03 0.30 99.47 0.11 0.00 0.00 0.00 68 D H H 58.67 7.09 22.53 29.95 91.86 48.54 -65.34 -40.84 0.94 0.00 99.06 0.15 0.07 0.64 98.99 0.16 0.00 0.00 0.00 69 A H H 12.42 17.61 17.46 35.65 91.97 51.05 -63.77 -41.95 1.39 0.01 98.60 0.23 0.12 0.91 98.46 0.27 0.00 0.00 0.00 70 V H H 54.91 8.77 20.72 30.18 91.69 50.12 -64.25 -41.83 2.51 0.05 97.44 0.51 0.29 1.55 97.20 0.40 0.01 0.03 0.01 71 T H H 70.91 2.60 22.81 24.18 91.63 49.57 -64.46 -42.28 4.77 0.13 95.10 1.18 0.61 2.87 94.59 0.63 0.02 0.07 0.03 72 Y H H 65.79 10.02 18.28 29.26 92.49 48.43 -66.14 -41.01 6.69 0.26 93.05 1.92 1.06 3.92 91.54 1.31 0.04 0.15 0.07 73 T H H 23.26 13.99 13.63 28.61 92.18 51.05 -66.09 -38.23 9.96 0.30 89.75 3.68 1.40 5.01 87.73 1.91 0.02 0.17 0.09 74 E H H 123.75 2.56 17.61 20.40 92.39 52.64 -65.11 -38.87 15.75 0.19 84.06 3.11 1.74 10.54 82.25 2.15 0.04 0.10 0.07 75 H H H 133.31 2.11 15.75 17.76 93.62 48.48 -73.42 -25.76 26.07 0.24 73.69 3.78 3.44 18.78 71.77 1.94 0.06 0.10 0.13 76 A C T 41.65 10.85 9.64 21.04 99.31 60.10 -83.41 -4.72 66.10 0.63 33.27 14.55 14.10 35.87 32.67 2.17 0.03 0.22 0.40 77 K C T 176.32 0.74 15.55 15.03 95.91 -129.46 41.69 22.78 91.81 0.38 7.81 22.43 13.85 55.53 5.96 1.83 0.00 0.16 0.22 78 R C C 106.75 7.29 10.64 19.64 125.08 112.35 -111.31 147.38 92.68 1.25 6.07 63.29 18.80 10.57 3.51 2.47 0.00 0.54 0.82 79 K C S 157.84 2.55 14.95 18.57 97.05 -147.76 -83.99 -16.30 95.90 1.52 2.59 33.27 55.83 7.08 1.30 1.17 0.00 0.92 0.43 80 T C C 80.46 4.05 18.90 23.87 128.93 40.43 -130.36 145.89 73.58 23.40 3.02 44.29 25.78 4.71 1.65 1.63 0.01 17.99 3.94 81 V C C 23.24 20.71 11.31 31.46 118.55 -152.22 -108.38 128.69 66.50 32.21 1.29 60.87 5.07 0.35 1.22 0.31 0.00 23.77 8.40 82 T C C 57.18 5.40 23.56 28.78 125.57 -151.42 -94.51 163.17 80.42 18.66 0.92 80.66 1.25 0.17 0.91 0.11 0.00 14.55 2.34 83 A H H 41.84 14.97 15.26 30.30 91.02 -103.67 -58.41 -38.99 2.08 0.01 97.91 0.36 0.28 1.27 97.66 0.42 0.00 0.00 0.00 84 M H H 102.79 4.44 21.98 26.49 91.54 54.61 -63.86 -40.05 0.73 0.00 99.27 0.09 0.05 0.49 99.04 0.32 0.00 0.00 0.00 85 D H H 38.81 11.97 20.19 32.72 91.85 50.31 -65.11 -40.49 0.23 0.00 99.77 0.04 0.02 0.14 99.53 0.28 0.00 0.00 0.00 86 V H H 9.26 22.02 17.88 39.81 91.72 49.60 -64.40 -43.49 0.10 0.00 99.89 0.02 0.01 0.06 99.84 0.08 0.00 0.00 0.00 87 V H H 45.01 10.53 21.61 32.76 91.56 49.90 -63.34 -42.92 0.13 0.00 99.87 0.01 0.01 0.09 99.85 0.05 0.00 0.00 0.00 88 Y H H 99.42 4.03 23.79 27.63 91.43 49.02 -63.94 -42.23 0.22 0.00 99.78 0.02 0.01 0.15 99.74 0.07 0.00 0.00 0.00 89 A H H 11.11 13.88 17.76 33.32 91.52 50.74 -63.15 -42.86 0.49 0.00 99.51 0.05 0.03 0.33 99.42 0.16 0.00 0.00 0.00 90 L H H 24.66 15.97 15.93 32.48 92.09 49.72 -64.45 -41.38 1.45 0.01 98.54 0.22 0.11 0.97 98.22 0.48 0.00 0.00 0.00 91 K H H 127.39 3.75 17.70 22.46 91.88 50.50 -64.89 -39.32 3.95 0.02 96.04 0.50 0.27 2.86 95.29 1.06 0.00 0.01 0.00 92 R H H 148.98 3.20 16.06 20.20 92.55 51.66 -68.44 -31.22 12.72 0.06 87.22 0.96 0.86 10.59 86.36 1.16 0.02 0.02 0.03 93 Q C T 90.28 8.17 13.00 22.19 95.73 49.75 -86.91 -5.35 55.97 0.20 43.84 2.70 4.11 46.91 44.53 1.52 0.03 0.07 0.13 94 G C T 56.29 2.52 15.42 18.58 98.38 -111.03 79.61 12.00 96.40 0.32 3.28 19.02 9.07 68.70 2.16 0.78 0.00 0.15 0.12 95 R C C 111.90 8.27 12.13 21.81 120.68 134.26 -99.83 140.91 94.21 2.46 3.33 82.25 9.26 2.68 1.92 1.30 0.00 1.17 1.43 96 T C C 78.14 6.13 15.13 22.61 118.25 -139.67 -96.66 141.44 91.08 5.16 3.76 83.63 4.59 2.71 1.78 1.70 0.00 2.81 2.76 97 L C C 76.84 12.53 12.08 24.55 104.31 -135.31 -82.48 11.25 82.23 7.42 10.35 37.81 23.83 21.51 2.86 6.74 0.04 3.48 3.72 98 Y C T 138.00 6.76 13.64 21.26 107.36 40.57 -89.04 83.01 84.10 5.51 10.38 17.89 24.84 41.71 2.68 7.24 0.05 2.97 2.62 99 G C C 53.14 3.62 13.23 18.11 103.37 -26.04 81.09 1.63 88.39 3.67 7.94 33.34 24.15 31.25 1.49 6.28 0.01 1.84 1.65 100 F C C 122.60 6.77 9.57 17.63 106.92 107.77 -93.00 43.54 89.04 5.95 5.01 55.98 15.47 17.56 1.45 3.31 0.00 2.82 3.40 101 G C C 54.26 3.09 12.01 16.65 108.04 -56.59 88.78 8.92 95.46 2.67 1.87 76.20 5.18 14.28 0.48 1.13 0.00 1.63 1.10 102 G C C 49.51 4.47 13.43 19.48 112.23 -53.35 86.62 -5.17 99.81 0.15 0.03 99.18 0.48 0.20 0.01 0.01 0.00 0.09 0.03