# 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 96.02 10.23 13.37 24.08 118.38 -158.84 -95.36 134.80 99.33 0.62 0.05 99.22 0.22 0.10 0.02 0.01 0.00 0.35 0.08 1 S C C 75.63 4.38 12.82 18.85 116.84 -162.22 -100.27 145.88 87.04 8.38 4.57 75.41 2.86 8.72 1.56 2.57 0.00 5.99 2.90 2 G C C 48.79 5.11 11.84 18.44 111.77 -115.18 88.41 -123.56 85.85 8.53 5.62 43.81 22.23 20.48 1.22 4.44 0.00 5.45 2.37 3 R C C 156.78 4.12 13.09 18.61 107.99 37.15 -91.39 64.19 82.65 9.94 7.42 42.82 20.31 20.21 1.80 5.60 0.01 5.81 3.43 4 G C C 38.30 8.40 11.52 20.85 115.48 -11.92 83.13 171.49 85.60 7.29 7.10 45.92 21.05 18.94 1.72 5.53 0.01 4.08 2.75 5 K C C 147.85 3.27 14.29 18.82 107.68 -85.64 -88.35 93.75 84.45 7.08 8.47 41.78 19.26 23.93 1.99 6.38 0.01 3.73 2.92 6 G C C 49.70 4.81 13.36 19.60 108.13 10.07 81.18 3.16 86.63 5.05 8.32 34.27 23.37 29.52 1.70 6.46 0.01 2.57 2.09 7 G C C 41.01 7.58 11.92 20.59 115.11 -80.39 84.84 175.09 85.76 5.32 8.92 42.44 23.48 19.93 1.89 7.16 0.01 2.63 2.46 8 K C C 147.75 3.04 14.13 18.48 109.07 -107.68 -93.43 94.03 81.76 7.66 10.57 39.94 20.72 21.80 2.66 7.63 0.02 3.87 3.36 9 G C C 45.12 5.88 12.56 19.72 112.88 -44.99 77.89 -130.82 84.28 6.10 9.62 39.73 21.69 23.44 2.28 7.13 0.01 3.13 2.59 10 L C C 104.28 6.86 12.07 19.97 106.95 -56.66 -87.45 55.29 82.50 7.21 10.29 37.19 21.75 24.48 3.19 6.56 0.02 3.66 3.15 11 G C C 42.86 5.55 12.65 19.55 115.26 -3.73 85.68 -159.52 85.20 5.29 9.50 37.09 25.57 23.39 3.27 5.68 0.02 2.57 2.42 12 K C C 153.27 2.53 13.25 16.98 107.32 -60.50 -81.69 102.58 78.41 4.25 17.35 31.41 22.03 26.03 8.62 7.72 0.04 1.96 2.20 13 G C T 51.05 3.58 13.17 17.92 105.94 9.86 55.51 -11.90 76.52 2.16 21.33 24.99 20.72 31.74 12.39 7.89 0.04 0.97 1.25 14 G C C 39.78 6.47 12.87 20.57 108.85 -34.58 37.44 -80.12 64.33 1.87 33.80 30.59 17.27 17.75 23.87 8.63 0.04 0.78 1.07 15 A H H 53.89 8.29 11.69 21.12 106.14 25.60 -78.14 68.62 44.52 2.44 53.03 26.49 10.28 10.08 43.14 7.76 0.05 1.28 0.93 16 K H H 127.47 3.92 14.67 19.73 105.72 44.35 -76.25 74.50 33.89 2.97 63.14 22.60 6.30 7.45 54.04 6.83 0.04 1.87 0.85 17 R H H 133.93 5.31 14.52 21.03 100.31 51.57 -73.28 -28.45 24.82 2.39 72.79 17.54 4.13 5.43 65.18 5.50 0.02 1.63 0.57 18 H H H 85.73 10.76 13.42 24.74 98.97 56.83 -75.31 -27.78 18.58 1.59 79.84 13.42 2.82 4.16 74.02 4.11 0.01 1.11 0.35 19 R H H 119.78 8.42 15.22 24.39 98.18 53.26 -73.98 -29.12 11.95 1.14 86.92 8.10 1.78 3.06 82.69 3.29 0.01 0.87 0.20 20 M H H 98.53 5.43 16.53 22.81 98.57 51.87 -72.84 -33.66 9.02 1.25 89.73 5.56 1.37 2.80 85.67 3.33 0.02 1.06 0.18 21 V H H 60.57 8.76 15.31 25.20 100.40 51.01 -75.51 -35.07 8.98 1.42 89.60 5.13 1.35 3.09 85.54 3.41 0.02 1.26 0.19 22 L H H 58.38 12.45 13.73 26.59 99.59 51.24 -75.93 -27.14 11.67 1.29 87.05 6.16 1.84 4.48 82.11 4.08 0.03 1.06 0.25 23 R H H 124.55 7.67 15.87 24.29 98.16 53.54 -73.47 -28.89 16.89 0.97 82.15 6.82 2.83 8.20 76.37 4.78 0.07 0.66 0.28 24 D H H 91.90 4.94 16.31 22.21 98.88 52.28 -78.40 -18.05 28.58 0.72 70.70 7.78 4.61 17.01 64.04 5.74 0.11 0.41 0.30 25 N H H 82.78 8.22 16.17 24.91 101.54 46.51 -92.49 13.25 44.92 1.01 54.07 14.59 6.76 24.67 46.23 6.66 0.08 0.53 0.49 26 I C C 47.30 17.44 11.52 27.87 102.95 105.44 -88.28 16.27 56.51 4.53 38.95 29.77 8.68 19.31 28.84 8.78 0.12 2.46 2.04 27 Q C T 121.99 4.31 17.00 22.76 105.10 125.08 -76.76 74.92 76.45 3.10 20.45 15.49 8.74 51.40 15.26 5.91 0.09 1.83 1.28 28 G C T 47.33 5.45 18.65 24.61 101.03 21.75 83.59 -1.92 88.45 1.83 9.72 15.98 13.37 59.59 4.66 4.56 0.01 1.19 0.64 29 I C C 27.97 20.65 10.42 30.13 116.13 111.14 -92.53 128.32 91.72 6.50 1.79 75.47 14.81 1.14 1.35 0.54 0.00 2.54 4.14 30 T C C 67.75 4.41 21.75 25.89 122.35 -143.04 -89.12 158.58 95.39 2.98 1.62 93.47 1.73 0.44 1.44 0.18 0.00 1.06 1.68 31 K H H 103.76 11.85 14.74 26.74 92.77 -106.11 -58.92 -39.76 3.06 0.02 96.91 0.94 0.59 1.33 96.78 0.35 0.00 0.01 0.01 32 P H H 76.67 2.66 20.30 22.40 91.67 52.73 -63.40 -38.89 1.64 0.01 98.35 0.35 0.16 0.97 98.06 0.43 0.00 0.00 0.00 33 A H H 26.53 9.49 17.79 28.98 91.86 50.89 -64.90 -40.82 0.65 0.01 99.34 0.17 0.07 0.33 99.02 0.40 0.00 0.01 0.00 34 I H H 13.25 20.80 14.87 35.70 92.06 50.06 -64.74 -42.14 0.45 0.01 99.54 0.13 0.06 0.21 99.43 0.16 0.00 0.01 0.00 35 R H H 110.34 7.92 20.45 28.80 91.47 50.85 -63.25 -41.27 0.77 0.02 99.21 0.22 0.09 0.38 99.19 0.10 0.00 0.01 0.00 36 R H H 123.29 2.70 22.05 23.93 91.86 50.01 -64.55 -42.10 1.06 0.04 98.91 0.25 0.14 0.59 98.85 0.14 0.00 0.02 0.01 37 L H H 32.70 12.38 17.24 30.83 92.18 50.00 -64.68 -41.90 1.61 0.08 98.31 0.43 0.23 0.92 98.04 0.32 0.01 0.04 0.02 38 A H H 20.65 15.17 13.77 29.49 92.14 51.64 -64.17 -40.09 3.55 0.09 96.37 0.82 0.33 2.29 95.72 0.77 0.01 0.05 0.02 39 R H H 162.55 2.15 17.57 20.12 92.40 49.99 -66.62 -36.75 9.55 0.12 90.33 1.05 0.79 7.59 89.28 1.15 0.04 0.06 0.05 40 R H H 157.04 2.34 15.68 18.47 94.51 51.85 -74.40 -23.65 30.98 0.21 68.81 1.70 2.73 26.51 67.02 1.72 0.10 0.08 0.12 41 G C T 38.34 8.34 13.04 22.23 99.09 41.48 -88.70 -4.82 69.29 0.20 30.51 2.79 7.05 57.73 30.24 1.93 0.02 0.07 0.16 42 G C T 51.04 3.09 16.89 20.43 99.27 -113.07 79.49 11.19 97.70 0.51 1.79 32.72 15.40 49.85 0.64 0.92 0.00 0.29 0.17 43 V C C 39.55 16.31 8.53 24.17 113.97 146.76 -85.47 128.30 91.08 6.85 2.07 85.20 4.34 1.65 0.76 1.16 0.00 4.97 1.92 44 K C C 158.32 1.61 17.96 19.48 100.32 -170.82 -89.57 -24.26 88.90 9.07 2.04 57.58 26.92 4.70 0.51 1.56 0.00 7.73 1.00 45 R C C 144.05 3.62 18.55 23.12 126.54 18.91 -130.70 139.72 59.59 37.72 2.69 45.53 10.29 4.09 0.89 1.90 0.01 34.55 2.73 46 I E C 44.16 19.33 9.97 27.87 118.58 -166.81 -114.74 125.16 47.12 51.22 1.66 42.15 2.68 0.66 1.25 0.68 0.00 42.05 10.52 47 S C C 58.61 4.25 17.56 22.52 125.67 -162.58 -110.79 164.31 77.37 20.71 1.92 72.34 3.34 1.10 1.38 0.57 0.00 19.61 1.66 48 G H H 47.56 3.64 16.84 20.92 102.94 -8.61 22.13 -66.45 36.94 0.99 62.07 6.30 11.24 21.07 54.47 5.72 0.29 0.50 0.42 49 L H H 98.48 3.81 16.50 20.90 93.93 29.36 -68.88 -34.12 22.98 0.52 76.51 4.29 4.03 15.56 69.30 6.13 0.18 0.30 0.22 50 I H H 43.64 12.16 14.94 28.05 92.54 53.91 -65.14 -40.52 13.13 0.65 86.22 5.05 2.31 6.92 78.81 6.19 0.07 0.47 0.18 51 Y H H 63.17 14.18 15.08 29.45 91.95 52.78 -63.44 -42.11 5.00 0.27 94.73 2.49 0.84 2.18 91.72 2.49 0.02 0.20 0.05 52 E H H 118.24 2.84 20.17 22.99 91.96 49.61 -65.13 -40.45 3.77 0.15 96.08 1.27 0.51 2.10 93.89 2.07 0.01 0.11 0.03 53 E H H 100.45 4.64 20.29 25.15 92.80 46.85 -66.84 -40.48 5.95 0.09 93.97 0.97 0.61 4.24 92.09 1.99 0.02 0.05 0.03 54 T H H 19.10 17.80 16.36 34.05 93.95 46.32 -70.59 -39.69 11.68 0.09 88.23 1.72 1.16 8.51 87.19 1.33 0.02 0.04 0.04 55 R H H 87.26 13.50 18.88 31.91 92.02 54.04 -62.26 -41.41 6.46 0.05 93.49 1.70 0.72 3.77 93.15 0.62 0.00 0.02 0.02 56 G H H 33.83 3.44 22.21 25.39 91.58 51.04 -63.72 -41.53 4.51 0.02 95.47 0.74 0.40 3.19 94.96 0.70 0.00 0.01 0.00 57 V H H 51.04 8.80 21.15 30.64 91.93 49.36 -65.15 -42.28 0.87 0.01 99.12 0.20 0.07 0.50 98.92 0.30 0.00 0.00 0.00 58 L H H 21.20 18.83 17.74 36.59 91.94 50.63 -64.26 -42.29 0.20 0.00 99.80 0.04 0.01 0.10 99.76 0.08 0.00 0.00 0.00 59 K H H 94.36 8.93 21.10 30.31 91.60 51.80 -63.35 -41.27 0.12 0.00 99.88 0.02 0.00 0.07 99.87 0.04 0.00 0.00 0.00 60 V H H 73.27 3.67 22.76 25.97 91.59 49.94 -64.10 -42.58 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 61 F H H 58.01 12.22 20.51 32.89 91.92 49.01 -64.67 -42.68 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 62 L H H 26.79 17.68 18.31 35.96 91.85 49.77 -64.64 -41.86 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 63 E H H 91.29 6.34 21.83 28.56 91.71 51.32 -64.14 -41.18 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 64 N H H 71.73 5.16 22.61 27.76 92.10 49.25 -66.05 -40.55 0.38 0.00 99.62 0.02 0.01 0.28 99.66 0.03 0.00 0.00 0.00 65 V H H 24.67 15.73 19.47 35.51 92.19 49.24 -65.03 -43.08 0.48 0.00 99.52 0.06 0.02 0.31 99.57 0.04 0.00 0.00 0.00 66 I H H 41.42 14.77 19.93 34.59 91.64 50.16 -63.80 -42.53 0.37 0.00 99.62 0.08 0.03 0.20 99.59 0.10 0.00 0.00 0.00 67 R H H 130.67 3.18 24.05 26.88 91.49 50.03 -63.60 -41.90 0.43 0.00 99.57 0.07 0.03 0.27 99.51 0.11 0.00 0.00 0.00 68 D H H 58.33 7.24 22.58 30.16 91.84 48.48 -65.41 -40.78 0.87 0.00 99.13 0.13 0.06 0.59 99.06 0.16 0.00 0.00 0.00 69 A H H 12.13 17.80 17.49 35.84 91.96 51.15 -63.81 -41.93 1.30 0.01 98.69 0.21 0.10 0.86 98.56 0.26 0.00 0.00 0.00 70 V H H 55.17 8.77 20.83 30.26 91.70 50.17 -64.19 -41.74 2.44 0.05 97.51 0.48 0.27 1.52 97.29 0.40 0.01 0.03 0.01 71 T H H 70.53 2.66 22.82 24.31 91.63 49.62 -64.32 -42.28 4.81 0.12 95.07 1.16 0.60 2.93 94.55 0.65 0.02 0.07 0.03 72 Y H H 64.35 10.42 18.23 29.59 92.40 48.52 -66.20 -40.80 6.67 0.25 93.07 1.93 1.03 3.90 91.49 1.39 0.04 0.15 0.07 73 T H H 24.21 14.30 13.76 28.90 92.14 51.63 -66.37 -37.82 9.86 0.27 89.86 3.52 1.36 5.08 87.70 2.08 0.02 0.16 0.08 74 E H H 124.29 2.58 17.83 20.65 92.28 52.73 -65.66 -38.24 16.37 0.19 83.45 2.97 1.78 11.26 81.52 2.26 0.04 0.10 0.07 75 H H H 132.36 2.24 15.91 18.08 94.00 47.98 -75.95 -23.19 27.32 0.26 72.42 3.97 3.63 19.72 70.39 2.00 0.06 0.10 0.13 76 A C H 39.54 11.83 9.25 21.36 101.02 66.31 -82.07 -0.30 65.72 0.78 33.49 19.17 14.65 30.76 32.46 2.18 0.03 0.27 0.48 77 K C T 176.05 0.75 15.62 15.12 95.78 -131.78 17.95 15.08 90.81 0.49 8.70 25.64 15.69 49.48 6.63 2.07 0.00 0.21 0.28 78 R C C 109.02 7.03 10.86 19.62 124.87 104.70 -109.93 148.47 91.56 1.45 6.99 56.25 22.27 13.11 4.07 2.79 0.00 0.64 0.87 79 K C S 156.19 2.81 14.90 18.90 96.92 -146.22 -82.85 -16.43 95.14 1.86 3.00 31.44 56.41 7.58 1.55 1.34 0.00 1.20 0.49 80 T C C 79.84 4.21 18.87 24.04 128.76 40.70 -131.23 144.94 68.20 28.22 3.58 42.49 21.88 4.97 1.98 1.90 0.02 22.54 4.22 81 V C C 22.45 20.71 11.33 31.51 119.25 -154.75 -111.09 129.34 62.07 36.44 1.49 56.39 5.07 0.38 1.45 0.36 0.00 27.73 8.64 82 T C C 57.59 5.34 23.49 28.67 124.96 -149.64 -92.87 163.21 78.01 20.99 1.00 78.26 1.25 0.18 0.98 0.13 0.00 16.87 2.33 83 A H H 42.95 14.78 15.28 30.13 90.97 -104.28 -58.38 -38.95 2.16 0.01 97.83 0.39 0.29 1.31 97.57 0.43 0.00 0.00 0.00 84 M H H 101.87 4.45 21.96 26.46 91.51 54.75 -63.94 -40.04 0.75 0.00 99.25 0.10 0.05 0.51 99.02 0.32 0.00 0.00 0.00 85 D H H 38.79 12.03 20.22 32.79 91.84 50.39 -65.11 -40.62 0.24 0.00 99.75 0.05 0.02 0.15 99.50 0.29 0.00 0.00 0.00 86 V H H 8.79 22.20 17.83 39.95 91.74 49.64 -64.25 -43.50 0.11 0.00 99.89 0.01 0.01 0.06 99.84 0.08 0.00 0.00 0.00 87 V H H 45.86 10.38 21.66 32.68 91.50 49.86 -63.31 -42.99 0.13 0.00 99.87 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 88 Y H H 99.10 4.00 23.82 27.61 91.41 48.96 -63.91 -42.30 0.22 0.00 99.78 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 89 A H H 10.55 13.99 17.66 33.38 91.46 50.74 -63.06 -42.87 0.46 0.00 99.53 0.05 0.02 0.31 99.46 0.14 0.00 0.00 0.00 90 L H H 24.20 15.97 15.77 32.33 92.03 49.79 -64.28 -41.52 1.25 0.01 98.74 0.20 0.10 0.83 98.47 0.40 0.00 0.00 0.00 91 K H H 130.04 3.46 17.70 22.08 91.81 50.39 -64.89 -39.49 3.19 0.02 96.79 0.40 0.22 2.32 96.17 0.88 0.00 0.00 0.00 92 R H H 149.81 3.06 16.06 20.03 92.66 50.59 -68.53 -32.40 10.55 0.04 89.40 0.75 0.70 8.81 88.71 0.97 0.02 0.02 0.02 93 Q H H 89.38 8.07 13.03 22.18 95.56 47.32 -87.76 -6.28 47.92 0.19 51.88 2.64 4.07 39.55 52.22 1.29 0.04 0.06 0.12 94 G C T 56.31 2.50 15.44 18.55 97.90 -114.73 78.25 13.26 97.09 0.34 2.57 22.47 9.45 65.59 1.49 0.71 0.00 0.17 0.12 95 R C C 111.12 8.18 12.53 22.12 122.27 132.15 -103.90 142.71 94.62 2.63 2.75 82.07 10.09 2.43 1.49 1.16 0.00 1.30 1.47 96 T C C 76.05 6.64 15.42 23.34 118.62 -137.78 -96.28 141.28 92.06 5.12 2.82 86.02 3.89 2.12 1.27 1.24 0.00 2.74 2.71 97 L C C 72.77 13.29 12.48 25.55 103.00 -135.09 -81.11 -0.70 83.66 7.17 9.17 37.16 24.96 22.43 2.39 6.13 0.03 3.32 3.57 98 Y C T 133.93 7.24 14.07 22.11 107.48 42.87 -88.87 86.44 84.97 5.76 9.27 17.09 25.89 42.31 2.28 6.58 0.04 3.13 2.69 99 G C C 52.49 3.80 13.59 18.63 103.17 -18.55 81.49 0.66 88.90 3.83 7.28 34.29 24.39 30.53 1.32 5.86 0.00 1.93 1.68 100 F C C 120.02 7.22 9.68 18.09 107.02 109.76 -92.24 44.85 89.49 5.83 4.68 57.02 15.16 17.23 1.32 3.16 0.00 2.77 3.34 101 G C C 54.38 3.06 12.15 16.75 108.24 -47.10 87.84 7.62 95.62 2.62 1.77 76.10 5.44 14.25 0.44 1.10 0.00 1.60 1.07 102 G C C 49.66 4.42 13.47 19.46 112.20 -59.15 86.51 -5.26 99.81 0.16 0.03 99.14 0.51 0.21 0.01 0.01 0.00 0.09 0.03