# 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 R C C 141.90 6.01 16.56 23.82 113.61 -162.67 -95.65 122.28 99.83 0.13 0.04 99.78 0.09 0.04 0.02 0.00 0.00 0.06 0.02 1 V C C 61.68 12.36 11.24 23.89 112.31 -151.51 -92.34 123.98 85.29 1.87 12.84 81.60 1.03 2.69 12.05 0.93 0.00 0.81 0.88 2 R C C 130.57 5.76 14.46 21.47 107.63 -144.49 -85.07 77.72 83.61 1.39 15.01 69.39 8.03 4.28 15.73 1.32 0.00 0.59 0.65 3 T C C 55.72 10.76 12.21 23.65 105.22 83.69 -79.20 -14.77 60.80 0.89 38.31 45.96 9.15 3.62 39.42 1.16 0.00 0.29 0.40 4 K H H 133.59 2.75 16.86 20.00 94.02 41.13 -65.37 -36.54 8.50 0.07 91.43 4.15 1.74 2.36 91.16 0.53 0.00 0.02 0.02 5 T H H 59.83 6.48 17.85 25.20 92.68 51.61 -66.35 -40.65 4.26 0.06 95.69 1.93 0.67 1.60 95.32 0.44 0.00 0.02 0.01 6 I H H 20.12 18.82 14.92 33.68 92.59 49.90 -65.52 -42.00 1.57 0.02 98.41 0.75 0.20 0.59 98.18 0.27 0.00 0.01 0.00 7 K H H 80.64 12.31 19.34 31.44 91.66 51.82 -62.75 -41.92 0.81 0.01 99.18 0.38 0.09 0.31 99.08 0.14 0.00 0.00 0.00 8 R H H 128.28 2.77 24.29 26.17 91.77 49.42 -64.66 -41.34 0.64 0.00 99.36 0.19 0.06 0.32 99.33 0.10 0.00 0.00 0.00 9 A H H 22.33 11.18 21.23 33.54 91.84 49.78 -64.44 -42.05 0.65 0.00 99.34 0.17 0.05 0.34 99.36 0.08 0.00 0.00 0.00 10 A H H 5.61 22.84 17.56 40.49 91.63 51.14 -63.47 -42.18 0.41 0.00 99.59 0.10 0.02 0.19 99.65 0.04 0.00 0.00 0.00 11 R H H 103.16 9.68 23.02 32.64 91.57 51.50 -63.47 -41.15 0.24 0.00 99.76 0.04 0.01 0.12 99.81 0.02 0.00 0.00 0.00 12 Q H H 83.03 3.68 24.18 27.42 91.45 50.33 -64.34 -42.63 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 13 I H H 15.13 17.30 19.12 37.00 91.83 49.36 -63.81 -43.35 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 14 V H H 14.28 21.46 16.21 37.35 91.72 49.14 -64.01 -41.74 0.11 0.00 99.89 0.01 0.00 0.08 99.85 0.06 0.00 0.00 0.00 15 E H H 119.51 3.60 20.42 24.54 92.45 49.04 -66.63 -38.14 0.40 0.00 99.60 0.01 0.01 0.37 99.39 0.23 0.00 0.00 0.00 16 K H H 127.49 2.82 19.91 22.67 95.49 41.07 -77.76 -33.21 2.91 0.00 97.09 0.02 0.05 3.15 96.44 0.34 0.00 0.00 0.00 17 Y H H 43.20 16.23 13.97 30.52 102.87 29.26 -112.56 -3.49 24.38 0.01 75.61 0.57 0.89 22.77 74.68 1.06 0.01 0.00 0.01 18 Y H G 63.13 19.13 12.93 31.13 92.42 99.61 -59.18 -40.06 11.17 0.04 88.79 1.49 0.77 7.95 25.91 63.84 0.00 0.03 0.01 19 A H G 83.17 2.21 20.57 22.92 90.41 59.54 -67.11 -22.68 9.30 0.02 90.68 0.47 0.51 7.92 21.79 69.30 0.00 0.01 0.00 20 K H G 102.10 8.01 19.93 28.42 94.16 53.95 -85.38 -13.54 9.40 0.04 90.56 1.06 0.80 6.81 21.40 69.89 0.00 0.02 0.01 21 L H G 11.82 24.42 12.58 36.44 102.94 79.68 -82.58 34.60 45.72 1.17 53.10 20.34 10.56 14.91 16.83 35.95 0.02 0.47 0.92 22 T C C 43.79 9.83 21.27 31.59 131.84 153.26 -127.81 160.79 91.80 2.34 5.87 73.91 7.76 9.45 2.99 2.74 0.00 0.87 2.28 23 L C S 90.53 11.96 17.39 29.30 96.18 -126.79 -86.73 -1.88 98.13 0.57 1.30 15.77 70.32 12.23 0.36 0.76 0.00 0.25 0.32 24 D C C 75.63 4.67 19.22 24.84 111.40 101.08 -89.20 119.58 98.40 1.00 0.60 51.37 46.12 0.78 0.38 0.15 0.00 0.21 0.99 25 F H H 79.16 14.73 12.43 27.31 93.40 -151.61 -61.78 -36.73 9.93 0.03 90.04 0.75 1.76 7.53 88.23 1.67 0.03 0.01 0.02 26 Q H H 122.93 1.85 19.42 20.66 92.19 55.20 -64.48 -40.21 9.17 0.02 90.82 0.39 0.72 8.33 88.59 1.93 0.03 0.00 0.01 27 I H H 62.12 6.27 18.23 25.77 93.09 44.49 -68.91 -39.69 7.77 0.03 92.20 0.65 0.64 6.44 89.72 2.51 0.02 0.01 0.01 28 N H H 11.30 21.28 13.12 34.23 92.05 53.15 -63.25 -42.15 2.43 0.01 97.56 0.77 0.27 1.15 97.19 0.61 0.00 0.00 0.00 29 K H H 94.68 9.37 20.52 30.18 91.57 52.26 -62.78 -41.13 0.76 0.00 99.23 0.14 0.06 0.43 99.18 0.19 0.00 0.00 0.00 30 K H H 114.92 2.12 24.18 24.64 91.75 50.35 -64.49 -42.11 0.52 0.00 99.47 0.08 0.04 0.31 99.38 0.18 0.00 0.00 0.00 31 I H H 19.22 15.75 19.12 35.52 92.24 48.89 -64.50 -42.81 0.36 0.00 99.63 0.06 0.03 0.21 99.56 0.14 0.00 0.00 0.00 32 T H H 9.78 21.48 15.80 37.11 91.76 51.65 -63.45 -41.91 0.30 0.00 99.70 0.04 0.02 0.18 99.60 0.17 0.00 0.00 0.00 33 E H H 115.89 4.15 21.12 25.83 91.80 50.86 -65.46 -37.29 1.00 0.00 99.00 0.05 0.04 0.86 98.64 0.40 0.00 0.00 0.00 34 E H H 110.16 4.31 20.88 25.41 93.77 47.71 -72.31 -33.33 3.62 0.00 96.38 0.08 0.13 3.46 95.86 0.47 0.00 0.00 0.00 35 V H H 28.51 17.59 15.43 32.63 100.36 40.17 -91.08 -25.08 15.87 0.04 84.09 0.99 1.54 13.00 83.51 0.90 0.02 0.01 0.02 36 A C T 36.76 14.72 16.13 30.47 101.81 75.87 -72.85 -12.03 74.60 0.63 24.78 17.39 11.24 46.21 19.65 4.75 0.02 0.24 0.49 37 I C T 101.17 5.37 20.66 26.12 102.38 123.70 -92.25 21.86 88.14 0.89 10.97 23.58 16.73 48.67 5.24 4.81 0.00 0.38 0.59 38 I C C 31.13 18.11 10.04 27.69 113.63 135.72 -91.59 121.47 98.73 0.74 0.53 70.52 27.41 0.84 0.30 0.17 0.00 0.22 0.55 39 P C C 92.33 3.80 16.93 21.69 94.81 -150.51 -70.25 -25.95 99.57 0.28 0.15 72.84 26.07 0.71 0.05 0.07 0.00 0.11 0.15 40 S C C 45.88 5.30 15.07 21.95 127.86 37.65 -125.38 152.09 97.51 1.54 0.95 54.20 42.36 0.50 0.78 0.14 0.00 0.21 1.80 41 K H H 140.62 3.87 13.81 19.69 92.45 -124.32 -61.50 -36.11 1.76 0.00 98.24 0.19 0.33 1.11 97.79 0.57 0.00 0.00 0.00 42 R H H 155.81 1.68 18.04 19.31 91.63 54.67 -63.39 -40.55 1.05 0.00 98.94 0.09 0.09 0.77 98.38 0.66 0.00 0.00 0.00 43 M H H 37.26 13.04 15.08 29.13 92.11 47.58 -66.45 -40.61 0.46 0.00 99.54 0.07 0.04 0.29 98.93 0.68 0.00 0.00 0.00 44 K H H 56.66 15.66 15.13 30.55 91.49 52.59 -61.84 -42.48 0.20 0.00 99.80 0.02 0.01 0.11 99.72 0.13 0.00 0.00 0.00 45 N H H 91.54 3.21 22.49 25.32 91.66 49.74 -65.28 -39.98 0.58 0.00 99.42 0.04 0.02 0.43 99.34 0.16 0.00 0.00 0.00 46 K H H 100.60 5.78 22.97 28.98 91.98 49.63 -65.56 -41.52 1.09 0.00 98.91 0.06 0.05 0.88 98.78 0.23 0.00 0.00 0.00 47 V H H 10.02 21.58 17.70 39.18 91.94 48.39 -65.83 -42.15 2.41 0.00 97.59 0.15 0.15 1.92 97.48 0.30 0.00 0.00 0.00 48 A H H 31.98 12.77 21.16 34.09 91.87 52.84 -62.98 -41.17 7.31 0.01 92.68 0.53 0.41 6.10 92.16 0.78 0.00 0.00 0.01 49 G H H 33.70 3.70 24.24 27.54 91.92 50.62 -63.78 -41.18 13.81 0.01 86.17 0.77 0.70 12.14 85.35 1.03 0.01 0.00 0.01 50 F H H 51.67 12.56 21.85 34.64 92.07 49.94 -65.10 -42.31 5.12 0.01 94.86 0.62 0.48 3.80 94.06 1.03 0.01 0.00 0.01 51 V H H 15.26 20.22 18.70 38.70 92.05 49.40 -64.61 -43.06 1.18 0.01 98.82 0.27 0.12 0.64 98.63 0.33 0.00 0.00 0.00 52 T H H 57.49 6.26 22.61 29.30 91.73 49.79 -63.88 -42.25 0.64 0.00 99.36 0.12 0.05 0.37 99.27 0.19 0.00 0.00 0.00 53 H H H 92.13 3.90 22.87 26.48 91.87 49.59 -64.49 -41.96 0.77 0.00 99.23 0.09 0.05 0.53 99.07 0.26 0.00 0.00 0.00 54 L H H 22.57 16.08 17.70 34.31 91.97 49.81 -64.54 -42.27 0.96 0.00 99.04 0.10 0.06 0.67 98.75 0.42 0.00 0.00 0.00 55 M H H 47.70 14.13 17.07 31.48 91.94 51.13 -63.71 -40.95 1.67 0.00 98.33 0.22 0.12 1.12 97.70 0.83 0.00 0.00 0.00 56 K H H 124.56 2.19 20.31 21.82 91.79 50.97 -64.90 -39.86 5.16 0.02 94.82 0.56 0.37 3.93 93.21 1.91 0.00 0.01 0.01 57 R H H 109.57 6.12 17.35 24.38 92.72 49.08 -68.30 -36.86 11.16 0.06 88.78 1.61 1.06 8.14 86.34 2.79 0.01 0.03 0.03 58 I H H 40.94 15.67 12.28 27.90 93.91 51.79 -70.72 -31.54 21.73 0.42 77.85 8.31 3.59 10.37 73.46 3.84 0.04 0.22 0.18 59 Q H H 116.19 4.77 15.16 21.20 94.92 60.99 -71.87 -20.95 44.77 0.95 54.28 19.69 5.62 19.46 51.08 3.22 0.03 0.44 0.45 60 K C H 150.71 1.72 14.64 16.44 99.79 56.29 -88.59 -6.32 62.73 1.02 36.24 20.54 14.53 27.59 33.38 3.00 0.04 0.40 0.53 61 G C S 31.40 7.18 12.54 21.03 129.99 -58.07 125.85 176.42 97.85 0.84 1.31 40.51 54.67 2.78 0.91 0.38 0.00 0.35 0.40 62 P C C 93.68 3.61 15.72 20.17 112.35 -56.89 -69.06 145.89 94.70 2.28 3.01 79.63 10.89 4.33 1.52 1.31 0.00 1.31 1.00 63 V C C 66.47 13.29 9.43 22.54 113.77 -135.93 -93.43 126.57 81.67 13.80 4.53 71.41 6.25 2.78 3.07 1.62 0.00 6.96 7.91 64 R C C 160.07 3.22 14.58 19.15 114.91 -163.84 -98.60 129.87 82.57 9.13 8.30 58.23 14.34 9.67 5.93 2.82 0.02 6.37 2.63 65 G C C 47.95 4.27 14.28 19.74 112.82 -1.52 93.47 1.68 78.78 7.43 13.79 44.03 22.72 12.34 10.20 3.93 0.05 4.81 1.93 66 I C C 75.75 10.76 10.80 22.24 114.04 -53.54 -93.67 130.61 71.59 6.64 21.77 55.27 10.31 4.98 20.37 3.03 0.01 4.39 1.64 67 S C C 50.78 5.73 13.73 20.95 114.69 -136.98 -83.01 148.77 66.33 3.79 29.88 57.76 4.40 3.32 29.25 2.02 0.00 2.39 0.86 68 L H H 104.27 4.41 12.69 18.67 94.45 -122.78 -64.05 -35.89 10.98 0.59 88.42 6.75 2.04 3.30 83.94 3.42 0.01 0.44 0.11 69 K H H 134.75 1.81 14.95 16.83 92.76 54.76 -66.40 -38.62 7.53 0.46 92.00 4.09 1.24 2.87 87.51 3.81 0.01 0.39 0.07 70 L H H 63.30 6.64 12.63 21.06 93.92 50.51 -67.87 -37.72 6.56 0.26 93.17 3.68 1.08 2.40 88.73 3.86 0.01 0.20 0.05 71 Q H H 74.75 6.73 12.99 21.38 93.27 53.84 -64.76 -40.46 6.72 0.18 93.10 4.26 1.08 2.05 90.59 1.86 0.00 0.11 0.04 72 E H H 101.55 2.34 15.29 17.78 92.62 51.07 -65.06 -40.81 5.28 0.12 94.60 2.89 0.84 1.90 92.82 1.46 0.00 0.07 0.03 73 E H H 98.33 2.49 15.07 17.95 92.50 50.28 -65.80 -40.16 5.19 0.10 94.70 2.51 0.76 2.13 92.90 1.60 0.00 0.06 0.03 74 E H H 74.06 6.26 12.46 20.60 92.38 50.84 -65.90 -38.77 6.61 0.12 93.28 2.91 0.93 2.95 91.11 1.99 0.01 0.07 0.04 75 R H H 123.85 4.11 13.11 18.64 92.72 51.93 -66.57 -37.71 10.28 0.15 89.57 3.90 1.50 5.13 86.79 2.52 0.01 0.08 0.06 76 E H H 123.76 1.73 13.79 15.49 93.45 51.69 -68.42 -34.28 19.79 0.25 79.96 6.38 2.99 10.77 76.94 2.66 0.02 0.11 0.12 77 R H H 142.41 2.84 12.19 16.06 95.66 53.41 -77.18 -21.29 39.37 0.45 60.18 14.86 6.72 18.50 56.14 3.33 0.02 0.19 0.25 78 R C H 125.58 5.92 10.23 17.62 100.32 68.37 -77.83 -9.26 52.46 0.81 46.73 30.26 6.75 15.61 37.41 9.12 0.01 0.38 0.46 79 L C T 113.05 3.58 11.09 16.17 98.88 75.52 -73.93 -17.70 59.75 0.85 39.40 19.92 8.71 30.96 23.82 15.64 0.02 0.41 0.52 80 D C T 112.64 2.12 12.53 15.42 99.25 56.46 -86.99 16.17 68.41 0.97 30.62 22.42 10.87 35.74 15.35 14.55 0.01 0.48 0.58 81 F C C 116.83 6.15 10.22 17.98 111.31 102.02 -96.61 104.17 78.68 5.25 16.06 47.65 20.55 10.54 8.65 6.93 0.02 2.07 3.58 82 V C C 84.30 5.98 10.54 18.35 116.64 118.51 -102.42 127.83 94.75 2.97 2.28 68.16 25.26 1.41 1.89 0.58 0.00 1.37 1.34 83 P C C 71.69 6.98 10.18 18.89 112.44 -114.22 -66.27 149.22 87.17 2.07 10.76 74.77 6.41 6.11 6.38 4.17 0.00 1.20 0.95 84 E C C 152.52 1.83 11.77 14.73 98.81 -124.24 -76.81 -17.11 69.44 1.81 28.75 31.50 22.55 16.05 15.76 12.27 0.02 0.84 1.02 85 K C C 142.63 2.63 11.29 15.31 115.70 35.49 -104.02 131.63 59.98 4.15 35.87 30.72 15.91 14.08 19.44 15.86 0.06 2.25 1.69 86 S C C 65.07 7.66 8.91 17.75 115.44 -155.88 -94.10 136.23 59.96 4.49 35.56 42.33 8.48 8.92 18.65 17.34 0.01 2.98 1.29 87 Q C C 130.12 3.07 12.27 16.64 101.00 -155.73 -87.41 3.69 59.07 7.59 33.34 35.62 13.20 10.61 20.09 13.35 0.06 5.01 2.07 88 I C C 81.96 9.17 9.17 19.30 114.34 97.91 -92.40 130.00 61.94 10.00 28.07 40.25 13.77 8.10 18.86 9.50 0.08 6.53 2.90 89 D C C 96.55 3.55 13.65 18.36 106.81 -131.58 -87.72 100.40 75.88 5.64 18.48 65.56 5.31 5.21 12.29 5.98 0.00 4.05 1.60 90 V C C 76.78 10.28 9.00 19.68 98.76 115.48 -79.30 -10.92 55.80 3.59 40.60 24.80 8.90 22.31 17.25 23.15 0.07 2.16 1.34 91 S C T 88.81 1.92 13.62 16.16 94.76 69.19 -75.95 -15.59 61.04 2.26 36.70 14.16 12.02 34.58 14.00 22.78 0.11 1.33 1.02 92 V C T 100.50 3.28 13.07 17.43 103.95 45.37 -102.04 3.01 59.10 5.59 35.31 19.45 12.18 28.98 12.61 21.32 0.16 3.73 1.58 93 I C C 60.65 13.46 8.31 21.74 117.05 108.68 -93.69 129.30 75.54 14.32 10.14 57.80 12.34 5.19 5.69 4.82 0.03 11.27 2.85 94 Y C C 166.22 2.36 17.00 20.08 114.91 -153.75 -99.50 123.27 73.48 22.37 4.15 62.85 6.82 2.89 2.76 1.72 0.01 17.68 5.27 95 V C C 47.12 15.94 8.37 23.40 125.38 -170.80 -115.87 145.18 79.12 20.13 0.75 67.21 11.54 0.54 0.61 0.28 0.00 10.05 9.76 96 E C C 95.44 4.17 14.33 19.76 113.50 -104.36 -68.99 145.79 99.68 0.25 0.07 99.17 0.60 0.03 0.05 0.00 0.00 0.11 0.04 97 P H H 97.53 2.84 13.06 17.39 91.61 -116.56 -57.78 -37.86 2.40 0.00 97.60 0.37 0.23 1.54 97.12 0.74 0.00 0.00 0.00 98 D H H 98.86 1.62 15.84 17.00 92.05 52.74 -65.29 -38.63 1.42 0.00 98.57 0.14 0.09 1.05 97.92 0.79 0.00 0.00 0.00 99 T H H 31.88 10.53 13.23 25.30 92.52 49.15 -66.73 -40.20 0.60 0.00 99.40 0.10 0.04 0.38 98.77 0.71 0.00 0.00 0.00 100 L H H 52.19 10.23 13.49 25.09 91.66 52.19 -63.35 -41.69 0.20 0.00 99.80 0.04 0.01 0.11 99.67 0.18 0.00 0.00 0.00 101 R H H 139.95 1.64 18.44 18.93 91.68 51.08 -63.97 -40.99 0.38 0.00 99.62 0.04 0.02 0.26 99.45 0.24 0.00 0.00 0.00 102 M H H 84.12 4.60 16.12 21.80 91.96 50.82 -64.56 -41.61 0.58 0.00 99.42 0.06 0.02 0.42 99.08 0.42 0.00 0.00 0.00 103 I H H 46.38 12.53 12.36 25.69 92.37 50.16 -65.16 -40.50 1.01 0.00 98.99 0.12 0.06 0.69 98.30 0.82 0.00 0.00 0.00 104 K H H 132.02 3.19 14.64 19.09 92.24 52.09 -64.99 -37.25 6.48 0.01 93.51 0.47 0.34 5.29 91.65 2.24 0.00 0.00 0.00 105 S H H 83.50 1.46 13.39 14.97 92.81 54.39 -68.92 -25.73 23.59 0.03 76.37 1.64 1.16 19.98 74.83 2.34 0.01 0.01 0.02 106 L H H 90.68 6.85 10.23 18.37 95.69 58.47 -79.68 -12.31 46.65 0.23 53.12 18.35 2.05 25.55 51.86 1.94 0.01 0.07 0.18 107 G C C 49.94 3.87 14.77 19.89 103.65 -118.57 76.87 20.27 99.95 0.01 0.04 99.34 0.18 0.45 0.02 0.00 0.00 0.01 0.00