# 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 89.90 9.98 11.75 22.36 114.55 -163.68 -93.29 131.89 99.92 0.07 0.01 99.79 0.12 0.05 0.00 0.00 0.00 0.03 0.01 1 D C C 112.66 2.44 12.85 16.56 109.73 -130.87 -86.45 114.23 98.20 1.33 0.48 94.65 2.06 1.61 0.17 0.17 0.00 0.53 0.80 2 Q C C 109.19 5.75 10.43 18.04 117.10 -137.14 -89.82 137.32 98.11 1.07 0.82 80.06 15.95 2.12 0.29 0.47 0.00 0.48 0.64 3 P C C 69.81 8.73 10.22 20.22 113.14 -107.88 -67.55 148.80 95.44 1.49 3.07 79.26 7.29 8.80 0.69 2.40 0.00 0.77 0.80 4 E C C 138.44 3.07 13.81 18.30 112.13 -127.24 -88.71 128.32 93.02 3.65 3.33 66.27 17.90 8.12 0.88 2.59 0.00 1.37 2.87 5 A C C 52.33 9.26 10.75 21.17 118.68 -111.27 -85.92 144.37 96.20 2.02 1.78 67.18 24.90 3.87 0.54 1.28 0.00 0.83 1.41 6 P C C 77.33 7.52 12.66 21.38 108.67 -103.57 -68.44 143.34 91.40 1.07 7.54 41.43 15.45 34.20 1.25 6.61 0.00 0.52 0.54 7 C C C 84.95 6.20 12.37 19.78 107.32 -121.99 -89.12 72.96 88.58 2.41 9.01 35.44 19.23 33.91 1.59 7.45 0.00 1.09 1.29 8 S C C 65.35 6.35 11.85 19.64 112.66 112.47 -94.16 131.55 86.91 3.31 9.78 45.56 23.13 17.95 2.10 7.80 0.00 1.45 2.00 9 S C C 76.48 5.10 11.04 17.66 107.99 -145.64 -88.67 66.68 89.81 2.58 7.61 41.64 25.73 22.66 1.99 5.39 0.00 1.14 1.44 10 T C S 98.59 3.51 11.87 16.79 103.56 81.96 -91.94 5.92 90.03 2.27 7.70 34.75 35.72 19.94 2.89 4.29 0.01 0.96 1.45 11 G C C 41.27 5.39 12.59 19.32 118.82 -56.56 79.33 -158.65 84.08 1.47 14.45 36.58 36.49 11.51 7.81 5.96 0.01 0.56 1.10 12 P C C 91.08 4.98 13.24 19.52 108.71 -35.09 -74.63 133.64 63.77 1.53 34.71 30.19 12.98 21.08 18.11 16.00 0.02 0.72 0.91 13 R C C 139.68 6.04 13.96 21.44 111.13 -125.67 -87.51 120.29 54.84 4.26 40.90 27.93 11.36 16.41 23.59 16.44 0.11 2.39 1.77 14 L C C 74.71 11.26 13.70 25.56 114.67 -130.46 -86.24 134.97 53.20 6.34 40.46 35.83 9.30 8.69 28.04 12.04 0.06 3.81 2.24 15 A C C 37.03 11.61 15.55 28.08 117.01 -134.06 -86.89 146.91 63.70 4.93 31.37 46.38 10.94 6.46 26.27 5.49 0.02 2.78 1.66 16 V C C 57.39 8.03 21.13 29.66 119.94 -121.25 -84.90 160.26 64.96 5.06 29.98 49.60 11.64 3.45 29.09 2.03 0.01 2.06 2.11 17 A H H 19.87 19.92 17.15 36.41 92.54 -109.31 -60.05 -39.56 4.10 0.06 95.83 2.04 0.75 1.32 95.28 0.56 0.00 0.03 0.02 18 R H H 84.53 14.88 20.75 34.66 91.53 53.39 -62.74 -40.79 1.96 0.03 98.00 0.77 0.23 0.88 97.51 0.59 0.00 0.02 0.01 19 E H H 86.64 7.03 23.70 30.97 91.96 49.82 -65.84 -39.77 0.91 0.01 99.07 0.37 0.09 0.39 98.61 0.53 0.00 0.01 0.00 20 L H H 27.09 16.25 21.37 37.42 92.01 50.21 -64.67 -42.48 0.40 0.00 99.59 0.15 0.03 0.17 99.43 0.22 0.00 0.00 0.00 21 L H H 6.63 24.16 20.89 44.50 91.82 49.41 -64.13 -42.91 0.31 0.00 99.69 0.08 0.02 0.16 99.63 0.10 0.00 0.00 0.00 22 L H H 36.67 14.46 22.67 37.05 91.50 49.96 -63.90 -42.34 0.20 0.00 99.80 0.05 0.01 0.10 99.76 0.07 0.00 0.00 0.00 23 A H H 41.22 5.91 24.81 31.28 91.72 50.48 -64.31 -41.32 0.23 0.00 99.77 0.04 0.01 0.14 99.66 0.15 0.00 0.00 0.00 24 A H H 8.21 18.06 19.97 38.56 91.54 50.77 -63.86 -42.67 0.42 0.00 99.58 0.03 0.02 0.31 99.20 0.44 0.00 0.00 0.00 25 L H H 9.58 23.70 17.30 40.82 91.70 51.54 -65.40 -35.42 1.13 0.00 98.87 0.06 0.05 0.94 97.31 1.63 0.00 0.00 0.00 26 E H H 109.60 6.95 21.51 29.15 91.21 56.03 -68.03 -26.83 15.60 0.00 84.40 0.19 0.29 15.99 81.81 1.70 0.01 0.00 0.00 27 E C T 111.32 5.44 21.05 26.84 95.11 50.78 -90.80 -7.41 56.01 0.02 43.97 0.84 1.34 53.45 42.66 1.68 0.00 0.00 0.02 28 L C C 15.08 23.08 8.55 30.28 118.69 102.82 -80.53 143.14 97.93 0.54 1.53 60.88 35.81 0.94 1.46 0.18 0.00 0.10 0.62 29 S C C 54.59 2.81 20.83 22.73 122.82 -128.66 -79.59 164.74 98.22 0.46 1.32 97.58 0.50 0.26 1.15 0.06 0.00 0.09 0.35 30 Q H H 116.82 6.35 13.91 22.03 91.20 -101.37 -57.95 -38.74 2.00 0.00 98.00 0.28 0.27 1.30 97.05 1.09 0.00 0.00 0.00 31 E H H 128.69 1.37 18.97 18.91 91.64 52.11 -64.26 -40.42 1.07 0.00 98.93 0.09 0.07 0.82 97.49 1.53 0.00 0.00 0.00 32 Q H H 51.29 11.65 16.87 29.35 92.08 48.64 -66.03 -39.85 0.49 0.00 99.51 0.06 0.03 0.34 98.08 1.49 0.00 0.00 0.00 33 L H H 11.54 21.02 14.03 35.15 91.24 51.41 -62.92 -42.64 0.27 0.00 99.73 0.03 0.01 0.18 99.27 0.50 0.00 0.00 0.00 34 K H H 105.10 4.19 22.15 26.49 91.40 51.09 -63.86 -41.11 0.38 0.00 99.62 0.02 0.01 0.29 99.41 0.27 0.00 0.00 0.00 35 R H H 113.22 4.20 22.65 26.77 91.56 50.18 -64.27 -42.08 0.49 0.00 99.51 0.02 0.02 0.40 99.24 0.32 0.00 0.00 0.00 36 F H H 8.99 21.98 17.32 39.52 91.48 49.72 -64.46 -42.61 0.48 0.00 99.52 0.04 0.02 0.34 99.06 0.53 0.00 0.00 0.00 37 R H H 69.28 16.22 19.98 35.22 91.39 52.56 -61.75 -41.88 0.47 0.00 99.53 0.03 0.02 0.38 98.52 1.05 0.00 0.00 0.00 38 H H H 103.81 2.96 24.14 26.19 91.63 50.59 -64.33 -41.00 1.05 0.00 98.95 0.04 0.04 0.95 96.38 2.59 0.00 0.00 0.00 39 K H H 60.99 11.34 20.84 32.58 91.91 50.62 -65.82 -38.76 3.46 0.00 96.53 0.12 0.14 3.21 92.91 3.61 0.00 0.00 0.00 40 L H H 5.55 24.78 14.28 39.16 92.33 51.96 -72.16 -26.64 13.32 0.04 86.64 1.04 0.92 10.69 78.00 9.27 0.02 0.02 0.03 41 R H H 120.87 9.82 19.58 29.54 93.06 69.36 -69.39 -22.35 47.88 0.22 51.90 2.73 2.89 40.70 43.82 9.49 0.07 0.10 0.20 42 D C T 95.85 3.98 20.06 24.33 98.61 58.39 -89.68 5.81 69.51 0.31 30.18 7.94 5.56 54.97 22.63 8.50 0.01 0.15 0.25 43 V C C 40.74 16.29 11.65 27.61 113.11 105.02 -85.94 131.62 91.83 1.39 6.78 44.12 42.84 4.72 4.97 1.51 0.00 0.33 1.51 44 G C C 27.29 7.12 15.18 23.53 126.16 -133.90 -90.92 172.53 97.70 1.13 1.17 85.05 9.11 3.26 0.45 0.65 0.00 0.37 1.11 45 P C T 100.80 5.09 12.54 19.03 95.15 -83.63 -65.16 -24.54 91.58 0.47 7.95 13.70 15.32 61.66 0.84 7.91 0.00 0.24 0.33 46 D C T 119.85 1.46 14.42 15.91 97.67 48.38 -85.44 3.90 91.34 0.34 8.31 6.77 15.61 67.95 0.76 8.50 0.00 0.18 0.23 47 G C S 35.54 10.70 11.92 22.87 110.91 -114.60 84.72 101.59 91.50 1.41 7.09 33.39 42.64 14.58 0.78 6.87 0.00 0.57 1.17 48 R C C 141.82 4.88 17.67 23.72 112.93 -129.46 -87.24 131.52 97.14 1.48 1.39 79.63 13.48 3.81 0.34 1.05 0.00 0.65 1.04 49 S C C 52.92 12.64 17.04 29.43 117.18 -126.38 -85.99 144.44 95.79 3.56 0.65 80.36 13.23 1.72 0.21 0.44 0.00 1.37 2.67 50 I C C 15.56 21.51 13.12 34.58 114.26 -125.84 -96.60 120.52 97.15 2.65 0.20 84.42 12.49 0.24 0.14 0.06 0.00 0.96 1.70 51 P C C 59.47 5.22 22.74 28.21 111.66 -113.78 -66.47 139.78 97.23 2.13 0.64 96.48 0.80 0.31 0.39 0.10 0.00 0.80 1.11 52 W H H 103.33 16.76 12.83 28.68 92.74 -122.79 -59.32 -36.93 16.90 0.12 82.98 2.68 2.21 10.35 52.71 31.91 0.03 0.06 0.07 53 G H H 43.66 3.92 18.72 23.09 91.50 60.04 -64.69 -30.33 10.88 0.05 89.07 0.91 0.87 7.62 51.68 38.86 0.01 0.03 0.02 54 R H H 118.09 6.97 19.39 26.87 92.33 57.10 -73.38 -24.24 7.84 0.03 92.14 0.77 0.63 5.32 54.76 38.49 0.00 0.01 0.01 55 L H H 5.48 24.71 11.09 35.55 95.44 53.44 -84.27 -12.82 20.33 0.10 79.57 3.16 2.28 12.58 49.08 32.77 0.02 0.05 0.06 56 E C T 95.34 11.37 16.48 28.10 93.17 86.68 -64.08 -28.66 78.63 0.08 21.28 1.47 2.24 75.60 15.13 5.41 0.00 0.03 0.12 57 R C T 185.83 1.04 20.14 19.29 96.09 42.18 -93.50 3.75 87.43 0.04 12.52 1.36 2.91 84.89 5.79 4.98 0.00 0.02 0.04 58 A C C 19.63 18.03 10.09 27.85 121.19 116.15 -76.91 151.94 99.43 0.33 0.24 53.08 46.00 0.31 0.14 0.06 0.00 0.07 0.34 59 D C C 73.86 4.03 23.89 27.28 121.01 -112.97 -78.67 162.67 97.63 2.19 0.19 96.71 0.61 0.04 0.16 0.01 0.00 0.30 2.18 60 A H H 26.44 20.46 16.04 35.60 92.02 -101.37 -59.11 -38.74 0.86 0.00 99.14 0.07 0.09 0.57 99.16 0.11 0.00 0.00 0.00 61 V H H 59.64 12.04 21.92 33.62 92.10 52.15 -64.03 -41.72 0.33 0.00 99.67 0.02 0.02 0.25 99.63 0.09 0.00 0.00 0.00 62 D H H 64.04 5.88 25.29 31.44 91.81 48.54 -65.48 -40.44 0.12 0.00 99.88 0.02 0.00 0.07 99.83 0.08 0.00 0.00 0.00 63 L H H 6.09 22.39 20.50 42.82 91.62 49.87 -64.01 -43.62 0.05 0.00 99.95 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 64 A H H 4.47 23.11 20.92 43.82 91.15 50.65 -62.72 -43.47 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 65 E H H 88.96 6.92 26.82 34.17 91.61 49.84 -64.08 -41.82 0.04 0.00 99.96 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 66 Q H H 42.48 10.98 24.78 36.36 91.73 49.62 -64.68 -42.25 0.12 0.00 99.88 0.00 0.00 0.11 99.85 0.04 0.00 0.00 0.00 67 L H H 3.12 25.10 18.78 44.13 91.64 50.48 -63.85 -42.30 0.73 0.00 99.27 0.04 0.04 0.59 99.13 0.20 0.00 0.00 0.00 68 A H H 20.31 17.02 18.78 35.57 92.03 50.13 -64.68 -39.30 2.00 0.00 98.00 0.25 0.18 1.41 97.39 0.76 0.00 0.00 0.00 69 Q H H 125.97 2.27 22.99 24.96 92.51 49.52 -67.32 -37.52 3.77 0.00 96.23 0.17 0.25 3.31 95.31 0.94 0.01 0.00 0.00 70 F H H 76.56 11.93 18.99 30.96 99.32 37.91 -85.36 -40.05 5.60 0.00 94.39 0.15 0.38 5.19 93.67 0.60 0.01 0.00 0.00 71 Y H H 49.53 16.44 15.02 31.44 102.13 23.26 -106.55 -13.52 13.57 0.08 86.36 1.15 4.01 8.89 85.43 0.39 0.05 0.02 0.07 72 G C C 22.64 4.81 21.47 27.40 128.92 -109.19 100.91 167.49 96.83 0.16 3.02 88.65 6.07 1.92 2.86 0.31 0.00 0.05 0.14 73 P H H 61.87 15.00 15.03 29.53 92.27 -78.64 -60.36 -38.35 19.11 0.09 80.80 2.42 5.15 11.75 78.02 2.51 0.05 0.02 0.07 74 E H H 127.68 2.94 22.97 26.27 91.91 51.56 -63.85 -40.58 13.97 0.02 86.00 0.63 1.42 11.98 83.40 2.52 0.03 0.01 0.02 75 P H H 33.60 10.27 21.32 32.58 92.38 48.23 -66.35 -38.58 9.51 0.02 90.47 1.33 0.77 6.97 88.31 2.59 0.01 0.01 0.01 76 A H H 2.90 24.08 17.67 41.99 91.49 54.16 -63.07 -43.54 0.78 0.00 99.22 0.21 0.07 0.35 99.18 0.20 0.00 0.00 0.00 77 L H H 26.99 17.41 23.40 40.13 91.40 50.25 -64.25 -41.68 0.15 0.00 99.85 0.02 0.01 0.08 99.84 0.05 0.00 0.00 0.00 78 E H H 94.94 4.40 28.78 33.61 91.47 50.25 -63.49 -42.46 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 79 V H H 9.93 18.88 24.07 42.88 91.35 48.97 -64.38 -43.50 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 80 A H H 1.07 26.90 22.19 49.22 91.31 50.40 -63.46 -42.97 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 81 R H H 74.17 13.79 25.60 38.71 91.70 50.48 -63.69 -42.19 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.00 0.00 0.00 0.00 82 K H H 91.16 5.55 27.69 33.85 91.70 49.41 -64.48 -41.92 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 83 T H H 5.02 21.19 21.10 42.46 91.52 49.51 -63.67 -43.88 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 84 L H H 6.74 22.36 18.09 40.61 91.18 49.67 -63.66 -42.29 0.23 0.00 99.77 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 85 K H H 109.82 5.28 21.39 27.35 91.73 50.77 -63.74 -41.40 1.06 0.00 98.94 0.06 0.04 0.81 98.90 0.19 0.00 0.00 0.00 86 R H H 121.77 6.79 19.86 27.51 90.99 53.11 -65.41 -31.57 6.25 0.00 93.74 0.10 0.17 6.12 93.38 0.22 0.00 0.00 0.00 87 A C T 17.12 17.74 13.93 32.19 94.27 49.81 -89.46 2.12 88.77 0.01 11.22 0.28 1.47 86.06 11.85 0.32 0.00 0.00 0.02 88 D C T 117.35 2.00 20.78 22.55 93.55 -113.88 61.47 34.04 99.30 0.01 0.69 0.68 1.61 97.15 0.49 0.07 0.00 0.00 0.00 89 A C C 22.26 16.14 12.43 29.09 103.28 129.15 -109.15 47.07 98.74 0.18 1.08 96.58 1.34 1.06 0.65 0.18 0.00 0.05 0.15 90 R H H 122.86 8.58 15.83 25.92 94.71 141.14 -63.90 -37.83 15.73 0.04 84.23 10.97 2.07 2.66 83.38 0.89 0.00 0.01 0.02 91 D H H 106.62 1.38 22.85 22.29 92.06 53.51 -65.00 -39.11 3.63 0.01 96.36 0.84 0.47 2.03 95.89 0.77 0.00 0.00 0.00 92 V H H 28.42 12.99 19.33 33.08 92.14 49.27 -65.96 -41.49 1.08 0.00 98.92 0.27 0.09 0.57 98.49 0.57 0.00 0.00 0.00 93 A H H 5.05 21.51 14.73 36.71 91.29 52.10 -62.39 -43.04 0.28 0.00 99.72 0.05 0.02 0.14 99.56 0.23 0.00 0.00 0.00 94 A H H 53.24 3.60 23.47 26.70 91.36 50.64 -63.21 -41.48 0.20 0.00 99.80 0.02 0.01 0.12 99.75 0.11 0.00 0.00 0.00 95 Q H H 89.26 3.32 23.44 26.13 91.57 49.81 -64.51 -41.30 0.30 0.00 99.70 0.03 0.01 0.19 99.69 0.08 0.00 0.00 0.00 96 L H H 8.28 20.14 16.06 36.80 91.70 50.40 -63.90 -42.46 0.48 0.00 99.52 0.06 0.02 0.29 99.54 0.09 0.00 0.00 0.00 97 Q H H 67.36 12.02 18.96 31.05 91.58 51.50 -63.09 -41.56 0.67 0.00 99.33 0.10 0.04 0.38 99.39 0.10 0.00 0.00 0.00 98 E H H 110.37 1.76 21.44 21.35 91.88 50.01 -64.56 -41.40 1.10 0.00 98.90 0.17 0.07 0.61 99.01 0.14 0.00 0.00 0.00 99 R H H 102.59 5.27 18.27 24.45 91.95 49.13 -65.17 -40.74 1.33 0.00 98.66 0.26 0.11 0.71 98.72 0.20 0.00 0.00 0.00 100 R H H 66.58 13.26 13.47 27.18 91.95 50.84 -64.63 -40.95 1.98 0.01 98.01 0.47 0.18 1.05 97.91 0.37 0.00 0.00 0.00 101 L H H 93.21 4.05 15.01 20.23 92.11 50.68 -65.07 -39.01 3.21 0.01 96.78 0.70 0.29 1.88 96.37 0.75 0.00 0.00 0.00 102 Q H H 131.06 1.23 15.23 15.80 92.84 50.19 -67.36 -36.82 7.49 0.02 92.49 1.20 0.64 5.09 91.60 1.45 0.00 0.01 0.01 103 R H H 136.59 4.50 12.74 18.66 94.30 50.57 -72.16 -30.08 19.37 0.06 80.57 3.00 1.73 13.60 80.07 1.53 0.01 0.02 0.03 104 L H H 85.88 7.80 10.35 19.31 98.18 52.44 -82.43 -14.70 39.60 0.16 60.25 16.72 1.66 19.64 60.75 1.07 0.00 0.05 0.10 105 G C C 49.51 3.20 14.98 19.22 109.50 -117.10 73.32 -7.81 99.96 0.01 0.03 99.70 0.10 0.18 0.02 0.00 0.00 0.01 0.00