# 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 140.40 5.63 13.20 20.26 111.64 -141.62 -83.88 129.99 99.81 0.04 0.15 99.68 0.10 0.10 0.09 0.01 0.00 0.01 0.01 1 K C C 127.28 5.03 11.23 17.86 108.00 -143.52 -80.37 115.69 58.38 0.63 40.98 50.40 1.47 6.59 38.17 2.77 0.00 0.27 0.33 2 E H H 121.97 4.10 11.76 17.30 104.24 -136.97 -78.20 -3.66 42.83 0.53 56.64 26.11 6.37 10.82 51.91 4.29 0.01 0.23 0.26 3 S H H 62.17 4.31 13.35 18.81 104.97 57.13 -78.65 -35.60 31.61 0.42 67.97 19.53 4.46 8.40 62.37 4.86 0.01 0.19 0.20 4 Y H H 104.77 8.50 14.09 23.52 94.58 55.59 -66.77 -36.38 12.00 0.13 87.88 5.21 2.10 4.91 84.61 3.04 0.01 0.06 0.06 5 S H H 38.96 9.98 14.95 26.03 93.01 54.89 -65.27 -39.08 8.82 0.08 91.09 3.22 1.22 4.40 89.54 1.56 0.01 0.03 0.04 6 V H H 67.86 4.89 17.52 23.20 92.50 51.71 -65.20 -41.56 3.82 0.03 96.16 0.92 0.41 2.43 95.63 0.58 0.00 0.01 0.01 7 Y H H 103.68 5.11 18.81 24.58 92.22 50.79 -64.62 -42.39 0.96 0.01 99.04 0.23 0.09 0.53 98.99 0.15 0.00 0.00 0.00 8 V H H 34.51 12.59 16.98 30.48 91.95 49.85 -64.25 -42.69 0.27 0.00 99.73 0.05 0.02 0.15 99.72 0.06 0.00 0.00 0.00 9 Y H H 75.78 11.30 17.55 29.50 91.96 50.62 -64.16 -41.52 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 10 K H H 107.08 3.22 20.88 23.68 91.96 50.41 -64.58 -41.43 0.17 0.00 99.83 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 11 V H H 50.48 6.60 18.50 26.47 91.88 49.27 -64.35 -42.23 0.27 0.00 99.73 0.02 0.01 0.20 99.73 0.04 0.00 0.00 0.00 12 L H H 24.79 14.36 13.94 29.39 91.75 50.55 -64.23 -40.48 0.40 0.00 99.60 0.03 0.02 0.29 99.53 0.12 0.00 0.00 0.00 13 K H H 104.72 6.92 15.42 23.51 92.07 52.77 -64.86 -37.11 1.75 0.00 98.25 0.09 0.07 1.52 97.90 0.41 0.00 0.00 0.00 14 Q H H 128.75 1.44 17.05 17.67 93.18 49.81 -69.24 -36.90 4.63 0.00 95.37 0.14 0.20 4.23 95.03 0.39 0.01 0.00 0.00 15 V H H 78.88 5.57 14.39 21.07 98.32 38.20 -84.65 -33.72 8.43 0.02 91.55 0.36 1.07 6.79 91.52 0.22 0.02 0.00 0.02 16 H C C 67.10 9.26 10.11 20.88 111.54 24.27 -132.25 69.24 99.03 0.23 0.74 60.89 36.95 1.07 0.66 0.12 0.00 0.05 0.24 17 P C T 92.27 4.47 11.06 17.91 94.68 165.58 -63.28 -26.78 85.52 0.25 14.23 15.84 6.75 62.66 2.96 11.51 0.00 0.13 0.16 18 D C T 130.21 0.60 14.14 13.17 95.46 54.04 -83.84 1.24 81.86 0.22 17.92 7.14 9.60 64.59 4.64 13.75 0.00 0.11 0.18 19 T C S 60.76 8.56 10.63 20.45 99.85 86.12 -90.71 -3.83 82.08 0.63 17.30 29.66 31.66 21.26 6.00 10.56 0.00 0.22 0.63 20 G C C 42.53 3.84 16.23 20.97 103.22 -122.74 77.19 4.28 85.32 1.05 13.64 45.62 25.55 14.24 10.44 3.01 0.00 0.37 0.76 21 I C C 64.14 11.76 12.38 24.67 100.76 111.14 -80.99 -6.01 58.93 1.18 39.88 42.99 9.05 6.15 38.50 2.23 0.00 0.40 0.67 22 S H H 55.15 6.75 15.15 23.09 95.14 85.37 -67.06 -43.96 24.12 0.29 75.59 16.49 3.58 4.66 73.35 1.69 0.00 0.11 0.13 23 S H H 79.84 1.85 17.38 18.81 93.31 42.59 -67.17 -38.85 5.13 0.04 94.83 1.79 0.87 2.43 93.51 1.35 0.00 0.02 0.02 24 K H H 128.30 2.26 17.99 20.07 92.64 49.19 -67.00 -40.41 2.84 0.03 97.14 0.90 0.38 1.47 96.17 1.05 0.00 0.01 0.01 25 A H H 22.49 12.05 13.93 27.38 92.38 50.12 -65.10 -41.70 1.81 0.02 98.17 0.57 0.20 0.92 97.68 0.63 0.00 0.01 0.00 26 M H H 74.34 8.53 16.50 26.13 91.97 51.85 -63.56 -41.13 0.78 0.00 99.22 0.21 0.07 0.38 99.12 0.22 0.00 0.00 0.00 27 G H H 38.43 2.40 19.26 21.00 91.70 51.39 -63.76 -41.84 0.80 0.00 99.19 0.15 0.05 0.47 99.15 0.17 0.00 0.00 0.00 28 I H H 84.96 4.02 19.07 23.40 91.98 48.88 -65.04 -41.96 0.60 0.00 99.40 0.10 0.04 0.35 99.37 0.14 0.00 0.00 0.00 29 M H H 55.18 11.75 16.01 28.57 92.08 50.15 -64.43 -41.66 0.51 0.00 99.49 0.10 0.03 0.28 99.47 0.11 0.00 0.00 0.00 30 N H H 77.49 5.88 18.13 24.86 91.83 51.02 -63.90 -40.38 0.78 0.00 99.22 0.13 0.05 0.48 99.21 0.14 0.00 0.00 0.00 31 S H H 62.31 2.16 19.55 20.70 91.91 50.60 -65.03 -41.20 1.12 0.00 98.88 0.13 0.06 0.77 98.85 0.18 0.00 0.00 0.00 32 F H H 90.28 6.17 18.24 25.30 92.15 49.44 -65.10 -41.81 1.09 0.00 98.90 0.15 0.07 0.73 98.85 0.19 0.00 0.00 0.00 33 V H H 44.16 10.89 16.00 28.00 91.95 50.20 -64.36 -42.10 0.76 0.00 99.24 0.15 0.06 0.43 99.24 0.11 0.00 0.00 0.00 34 N H H 82.85 3.52 18.85 22.63 91.94 50.78 -64.18 -40.78 0.86 0.00 99.14 0.16 0.05 0.51 99.16 0.11 0.00 0.00 0.00 35 D H H 78.31 2.48 19.41 21.24 92.01 50.19 -65.04 -41.00 0.92 0.00 99.08 0.15 0.06 0.58 99.10 0.12 0.00 0.00 0.00 36 I H H 55.55 9.03 17.12 27.36 91.99 50.14 -64.56 -42.52 0.48 0.00 99.52 0.07 0.03 0.29 99.52 0.09 0.00 0.00 0.00 37 F H H 80.28 9.85 16.71 27.34 91.74 50.44 -63.99 -41.38 0.27 0.00 99.72 0.04 0.01 0.16 99.71 0.08 0.00 0.00 0.00 38 E H H 117.17 2.26 19.69 21.47 91.76 50.34 -64.64 -40.97 0.36 0.00 99.64 0.04 0.01 0.23 99.60 0.11 0.00 0.00 0.00 39 R H H 128.56 3.24 19.52 22.72 92.15 49.23 -65.31 -41.29 0.83 0.00 99.17 0.08 0.04 0.59 99.11 0.17 0.00 0.00 0.00 40 I H H 45.37 12.12 16.52 29.47 92.39 48.03 -65.72 -41.63 1.76 0.01 98.23 0.24 0.14 1.17 98.22 0.23 0.00 0.00 0.00 41 A H H 46.03 6.93 17.82 25.88 91.72 51.09 -63.34 -41.16 3.33 0.02 96.65 0.59 0.28 2.10 96.60 0.42 0.00 0.00 0.00 42 G H H 37.47 2.41 20.37 21.93 92.06 50.42 -64.11 -42.41 7.24 0.03 92.73 1.20 0.65 4.93 92.43 0.75 0.01 0.01 0.01 43 E H H 84.02 6.11 19.56 26.35 92.24 49.16 -65.93 -40.69 4.69 0.03 95.29 1.16 0.56 2.68 94.59 0.98 0.00 0.01 0.01 44 A H H 27.68 12.45 15.32 28.78 92.17 52.15 -63.90 -40.46 3.27 0.02 96.71 0.97 0.36 1.71 95.40 1.54 0.00 0.01 0.01 45 S H H 59.53 3.77 19.28 23.30 91.85 51.56 -64.41 -39.53 4.27 0.03 95.69 0.99 0.42 2.64 93.35 2.57 0.00 0.02 0.01 46 R H H 135.11 2.27 19.56 21.18 92.44 50.30 -66.03 -39.74 5.80 0.07 94.13 1.09 0.62 3.97 91.08 3.17 0.02 0.04 0.02 47 L H H 53.69 8.62 15.09 25.29 92.87 50.42 -66.84 -38.59 7.57 0.14 92.29 1.78 0.96 4.75 88.02 4.35 0.02 0.08 0.04 48 A H H 42.59 8.24 13.16 22.93 92.95 55.75 -66.05 -34.12 18.02 0.30 81.68 3.59 1.86 12.39 75.87 5.95 0.05 0.18 0.12 49 H H H 132.44 2.06 14.84 17.08 95.48 53.83 -73.61 -23.00 32.50 0.49 67.01 5.68 3.44 23.35 61.10 5.86 0.08 0.26 0.24 50 Y H H 147.27 3.13 12.30 16.55 99.84 56.37 -82.54 -20.81 45.09 1.08 53.83 12.33 9.87 24.55 47.21 4.83 0.13 0.48 0.59 51 N C T 89.81 5.48 10.40 17.37 106.11 48.56 -96.05 64.05 65.99 1.00 33.01 23.87 12.53 29.80 28.59 4.21 0.03 0.41 0.57 52 K C T 159.44 2.04 11.54 14.95 98.13 -139.26 -52.35 7.41 75.35 0.76 23.89 21.78 18.09 36.08 16.55 6.66 0.01 0.30 0.54 53 R C C 156.27 3.14 11.38 15.98 107.98 85.04 -91.28 82.78 78.14 1.16 20.70 31.55 19.10 28.21 11.28 8.59 0.01 0.49 0.78 54 S C C 71.24 5.61 11.31 18.45 108.95 90.67 -90.20 80.88 83.69 2.30 14.01 42.39 22.86 19.07 5.74 7.71 0.01 1.18 1.04 55 T C C 92.24 4.12 14.70 20.14 114.89 76.41 -101.40 124.47 82.86 8.07 9.07 53.32 18.24 11.66 4.28 4.76 0.01 5.33 2.40 56 I C C 43.72 16.08 9.84 25.62 118.83 92.30 -100.88 131.36 88.56 9.51 1.94 72.96 14.58 0.92 1.68 0.53 0.00 4.99 4.34 57 T C C 66.00 3.46 20.02 23.19 123.09 -139.81 -88.24 162.97 94.38 4.17 1.44 93.15 1.54 0.35 1.26 0.17 0.00 2.26 1.26 58 S H H 59.09 10.76 13.01 24.42 92.02 -105.62 -59.29 -38.87 2.58 0.01 97.41 0.71 0.45 1.20 97.24 0.40 0.00 0.00 0.00 59 R H H 156.24 1.94 18.14 20.01 91.78 53.32 -64.02 -39.82 0.90 0.00 99.10 0.15 0.09 0.54 98.92 0.30 0.00 0.00 0.00 60 E H H 82.41 7.61 18.39 26.76 91.87 49.37 -66.08 -40.60 0.36 0.00 99.64 0.08 0.03 0.20 99.39 0.30 0.00 0.00 0.00 61 I H H 18.71 19.47 15.48 34.89 91.95 50.05 -64.16 -43.10 0.16 0.00 99.84 0.03 0.01 0.08 99.80 0.08 0.00 0.00 0.00 62 Q H H 68.54 11.20 20.00 31.35 91.29 50.76 -62.84 -41.56 0.19 0.00 99.81 0.02 0.01 0.11 99.79 0.06 0.00 0.00 0.00 63 T H H 63.10 3.83 23.07 26.55 91.72 49.59 -64.65 -41.77 0.37 0.00 99.63 0.04 0.02 0.27 99.58 0.10 0.00 0.00 0.00 64 A H H 19.80 13.14 19.57 33.60 91.80 50.87 -64.18 -41.90 0.57 0.00 99.43 0.05 0.03 0.42 99.21 0.29 0.00 0.00 0.00 65 V H H 15.76 20.04 17.71 37.43 91.79 50.11 -64.30 -41.01 0.88 0.00 99.11 0.07 0.05 0.69 98.05 1.14 0.00 0.00 0.00 66 R H H 114.39 9.23 20.14 29.66 91.26 53.85 -64.29 -34.55 2.90 0.01 97.09 0.16 0.14 2.49 94.53 2.66 0.00 0.00 0.00 67 L H H 93.09 5.72 20.77 26.73 92.11 53.93 -70.45 -29.44 12.56 0.01 87.43 0.34 0.46 11.99 85.05 2.13 0.01 0.00 0.01 68 L H H 53.55 13.88 17.32 31.06 96.38 46.20 -87.84 -22.86 25.89 0.08 74.04 1.26 2.69 21.85 72.74 1.33 0.05 0.02 0.06 69 L C S 35.36 17.30 12.07 29.10 114.86 66.10 -107.12 117.43 98.07 0.32 1.61 19.36 76.89 1.67 1.59 0.16 0.00 0.08 0.26 70 P C C 81.83 4.65 16.21 21.94 113.47 -130.79 -68.57 145.49 88.74 0.38 10.88 63.02 11.18 14.06 8.75 2.53 0.00 0.15 0.30 71 G H H 44.71 3.00 16.75 20.21 118.63 20.15 77.09 -153.46 41.82 0.50 57.68 11.41 14.79 17.28 49.05 6.88 0.07 0.18 0.34 72 E H H 129.35 3.00 16.82 20.35 94.05 -20.53 -66.68 -35.34 14.50 0.23 85.27 4.21 2.73 7.81 75.28 9.69 0.05 0.13 0.09 73 L H H 55.20 11.01 14.61 26.66 92.12 54.89 -64.78 -39.08 7.70 0.24 92.06 3.03 1.16 3.61 82.13 9.82 0.02 0.18 0.05 74 A H H 23.98 14.01 13.68 28.45 91.97 53.78 -64.51 -38.90 5.59 0.19 94.22 2.32 0.79 2.46 84.55 9.70 0.01 0.15 0.03 75 K H H 127.67 3.29 19.95 23.63 92.57 51.98 -66.56 -36.51 9.92 0.33 89.75 2.69 1.37 5.84 80.27 9.47 0.04 0.25 0.08 76 H H H 92.13 5.95 18.55 25.20 96.05 50.32 -74.77 -29.48 17.54 0.74 81.72 5.32 2.70 10.02 73.03 8.12 0.08 0.52 0.22 77 A H H 27.14 14.74 14.28 29.29 95.61 66.47 -66.50 -39.21 25.27 2.76 71.97 14.06 4.85 8.25 64.78 5.46 0.08 1.81 0.71 78 V H H 70.75 9.58 16.90 26.84 95.69 50.92 -70.96 -36.07 30.40 4.61 64.99 17.20 5.35 9.68 57.81 5.48 0.11 3.30 1.07 79 S H H 65.60 4.20 17.38 22.02 97.42 57.17 -73.72 -31.77 40.34 3.37 56.29 19.32 7.97 14.70 49.02 5.71 0.13 2.10 1.04 80 E C T 111.33 5.87 16.34 22.99 98.44 45.67 -75.07 -22.79 60.34 0.89 38.76 10.51 11.01 37.76 34.48 5.29 0.07 0.42 0.46 81 G C T 31.68 10.51 15.18 25.97 99.91 41.22 -40.20 -31.86 70.13 0.71 29.17 17.70 13.22 39.00 24.52 4.86 0.02 0.32 0.36 82 T C H 61.28 9.99 15.18 25.76 97.33 62.29 -73.27 -30.50 53.63 2.26 44.11 37.03 8.79 7.83 39.60 4.78 0.01 1.25 0.70 83 K H H 116.41 4.74 18.56 23.92 95.93 66.95 -68.39 -33.01 39.64 4.69 55.67 27.97 6.49 6.70 49.25 5.29 0.03 3.28 0.99 84 A H H 40.14 9.33 15.61 26.14 94.58 58.71 -66.95 -36.69 28.69 5.82 65.49 21.18 4.45 5.08 57.56 6.01 0.03 4.85 0.83 85 V H H 54.88 11.67 14.49 26.65 94.40 54.77 -69.65 -37.41 22.59 6.27 71.15 16.75 3.54 4.35 62.71 6.20 0.04 5.66 0.75 86 T H H 71.82 5.80 15.48 22.36 95.08 56.63 -71.28 -33.91 23.91 5.07 71.03 16.91 3.71 5.18 62.64 6.37 0.04 4.46 0.69 87 K H H 125.59 3.62 15.24 19.71 95.36 55.93 -72.19 -28.42 29.01 3.81 67.18 17.73 5.05 8.16 59.24 6.07 0.06 2.96 0.72 88 Y H H 115.53 8.14 11.14 20.30 100.10 57.51 -83.00 -15.31 36.84 2.87 60.30 20.66 6.83 11.22 53.97 4.66 0.06 1.79 0.80 89 T C H 85.02 5.33 10.62 17.48 104.94 63.95 -89.87 11.86 49.69 2.49 47.82 27.10 8.64 14.58 44.43 3.03 0.04 1.31 0.87 90 S C C 82.61 2.79 9.95 14.32 105.58 81.48 -87.03 41.42 75.05 1.10 23.84 52.77 3.02 17.58 23.78 1.78 0.00 0.55 0.52 91 S C C 85.20 2.82 11.80 16.11 105.00 68.08 -87.19 31.09 99.92 0.04 0.05 99.72 0.11 0.12 0.03 0.00 0.00 0.01 0.00