# 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 94.35 9.94 12.59 23.16 115.74 -154.03 -90.23 134.46 99.86 0.13 0.02 99.78 0.10 0.04 0.01 0.00 0.00 0.06 0.02 1 A C C 71.72 5.21 12.32 19.08 114.13 -138.95 -89.45 131.07 93.06 5.97 0.98 88.28 2.62 2.33 0.46 0.37 0.00 3.18 2.77 2 E C C 111.85 7.43 11.91 20.79 116.55 -147.57 -100.69 125.89 93.79 5.58 0.63 61.54 31.53 1.31 0.33 0.27 0.00 3.10 1.91 3 P C C 53.75 9.73 12.84 23.90 114.77 -111.51 -69.24 151.76 96.30 2.16 1.53 86.88 7.43 2.16 1.00 0.45 0.00 1.32 0.75 4 G C C 31.14 5.70 18.10 24.58 115.77 -107.02 -73.94 153.79 92.86 4.01 3.13 88.33 2.79 1.29 2.87 0.39 0.00 1.16 3.18 5 I H H 54.90 16.12 11.47 27.15 92.83 -116.23 -62.95 -36.74 5.76 0.06 94.18 1.58 1.20 3.26 91.47 2.41 0.02 0.03 0.03 6 D H H 101.25 2.61 16.67 19.88 92.04 55.62 -64.52 -38.97 3.00 0.03 96.98 0.44 0.34 2.14 94.38 2.66 0.01 0.02 0.01 7 K H H 120.69 2.41 17.49 19.73 92.61 49.70 -67.79 -37.90 1.96 0.03 98.00 0.31 0.22 1.38 94.70 3.35 0.01 0.02 0.01 8 L H H 20.99 16.90 11.75 28.89 92.46 51.76 -66.30 -39.13 2.12 0.05 97.84 0.34 0.26 1.47 95.29 2.58 0.01 0.03 0.01 9 F H H 79.66 11.86 12.58 25.03 91.85 56.58 -66.12 -31.49 7.94 0.10 91.95 0.83 0.70 6.42 85.68 6.20 0.06 0.06 0.05 10 G H H 60.95 0.84 17.41 16.45 92.30 55.13 -70.93 -22.30 24.84 0.06 75.10 0.81 1.09 23.32 70.07 4.59 0.05 0.03 0.04 11 M H H 107.72 4.75 15.13 20.93 98.96 42.72 -90.51 -27.23 29.79 0.09 70.13 0.93 2.52 26.34 67.30 2.73 0.07 0.03 0.07 12 V C H 32.92 14.75 8.98 23.72 131.17 35.97 -130.29 152.20 66.75 1.20 32.06 28.88 27.12 9.58 31.98 1.09 0.02 0.27 1.07 13 D C S 125.30 1.07 17.08 17.25 95.40 -136.88 -75.84 -20.71 98.64 0.34 1.02 36.83 52.92 8.96 0.68 0.30 0.00 0.14 0.18 14 S C C 44.17 5.52 17.14 23.97 133.96 23.86 -141.22 153.63 95.70 1.50 2.79 46.86 46.52 2.10 2.44 0.42 0.00 0.35 1.32 15 K H H 95.90 12.94 14.55 27.50 92.71 -123.99 -63.29 -35.44 2.94 0.01 97.06 0.48 0.62 1.66 96.78 0.45 0.00 0.00 0.00 16 Y H H 132.20 5.66 19.15 25.28 91.64 54.91 -63.24 -41.43 1.95 0.01 98.04 0.27 0.20 1.37 97.68 0.47 0.01 0.00 0.00 17 R H H 105.39 6.17 21.51 28.10 91.72 48.77 -65.63 -40.39 0.49 0.00 99.50 0.12 0.05 0.27 99.25 0.30 0.00 0.00 0.00 18 L H H 15.02 19.23 17.07 36.54 91.74 51.25 -63.23 -43.24 0.12 0.00 99.87 0.03 0.01 0.06 99.85 0.05 0.00 0.00 0.00 19 T H H 32.52 15.16 21.28 36.17 91.58 50.07 -64.16 -42.35 0.11 0.00 99.89 0.02 0.00 0.05 99.90 0.02 0.00 0.00 0.00 20 V H H 67.76 5.74 25.24 30.88 91.48 49.83 -64.17 -42.57 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 21 V H H 35.45 11.18 23.76 35.63 91.64 49.44 -64.06 -42.99 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 22 V H H 11.33 21.19 21.22 42.15 91.37 49.75 -63.78 -42.85 0.06 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 23 A H H 30.61 12.47 23.40 35.94 91.45 51.25 -63.26 -42.11 0.08 0.00 99.91 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 24 K H H 100.78 4.80 26.91 31.86 91.62 50.06 -64.39 -42.18 0.16 0.00 99.84 0.01 0.01 0.10 99.87 0.01 0.00 0.00 0.00 25 R H H 50.06 14.73 23.42 37.78 92.02 49.06 -64.97 -41.91 0.24 0.00 99.76 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 26 A H H 9.16 19.94 19.17 39.22 91.80 51.71 -63.20 -42.56 0.40 0.00 99.60 0.06 0.02 0.23 99.62 0.06 0.00 0.00 0.00 27 Q H H 79.52 6.49 23.83 30.52 91.62 50.74 -63.63 -41.23 1.28 0.01 98.71 0.20 0.08 0.85 98.62 0.24 0.00 0.00 0.00 28 Q H H 71.86 5.88 22.48 28.79 91.73 50.77 -64.76 -40.76 3.51 0.05 96.45 0.57 0.28 2.48 96.09 0.54 0.01 0.02 0.01 29 L H H 20.54 16.92 16.44 33.83 92.48 50.43 -65.93 -40.54 8.60 0.22 91.17 2.85 1.01 4.73 90.12 1.08 0.02 0.11 0.08 30 L H H 57.80 12.59 16.20 29.05 92.49 51.92 -66.87 -35.38 19.13 0.73 80.15 7.86 2.46 9.33 77.58 2.08 0.04 0.40 0.25 31 R H H 156.56 2.47 17.76 20.38 93.95 53.35 -71.14 -29.30 31.53 0.93 67.54 9.15 4.35 18.92 63.83 2.82 0.07 0.50 0.37 32 H C H 111.99 5.55 14.91 21.45 98.49 50.25 -85.47 -6.15 56.27 1.11 42.61 12.22 8.92 35.01 39.05 3.68 0.08 0.52 0.51 33 G C T 36.32 8.39 14.39 23.60 104.01 -50.52 76.04 6.13 78.04 1.31 20.65 25.86 11.94 40.40 16.44 4.13 0.01 0.64 0.59 34 F C C 96.35 10.94 11.69 23.03 108.17 91.34 -87.25 87.04 77.94 3.43 18.62 45.70 15.75 16.30 12.51 6.37 0.01 1.86 1.50 35 K C C 130.64 4.75 14.64 20.81 105.99 115.81 -83.24 50.44 76.95 4.57 18.48 42.38 16.18 18.59 9.69 8.66 0.02 2.99 1.48 36 N C C 100.69 5.92 14.21 21.29 105.29 50.82 -91.45 54.00 76.61 6.76 16.64 41.83 16.34 19.18 6.77 9.31 0.02 4.91 1.63 37 T C C 57.57 10.90 11.96 23.64 117.18 131.87 -99.46 133.55 70.58 14.92 14.50 43.72 15.60 11.80 6.04 8.35 0.04 11.79 2.66 38 V C C 83.78 6.39 14.65 22.38 116.08 -156.96 -100.90 131.33 66.77 22.28 10.95 44.96 12.84 8.91 5.47 5.76 0.07 17.74 4.26 39 L C C 65.61 11.62 10.41 22.73 117.31 -152.75 -97.34 130.98 73.90 19.95 6.16 52.97 15.24 5.25 3.56 3.01 0.03 14.76 5.20 40 E C C 99.97 4.32 13.28 18.95 116.63 -144.66 -96.04 136.93 91.50 6.81 1.70 76.73 12.35 2.37 0.89 0.82 0.00 4.94 1.90 41 P C T 95.69 4.85 9.77 16.44 95.14 -114.60 -62.36 -28.07 78.65 1.55 19.80 23.40 13.02 42.76 5.89 13.33 0.00 0.89 0.70 42 E C T 155.29 1.13 11.94 12.85 96.25 53.77 -77.89 -16.55 78.51 1.08 20.41 15.14 14.70 48.78 6.49 13.67 0.01 0.57 0.63 43 E C C 113.46 4.47 11.01 16.94 106.29 57.10 -95.70 24.95 71.16 3.81 25.03 26.89 19.77 25.97 7.86 15.78 0.03 1.95 1.75 44 R C C 117.92 8.09 10.98 20.27 115.76 -139.13 -90.16 132.42 75.23 5.22 19.55 46.93 21.13 7.34 13.58 6.07 0.01 3.03 1.91 45 P C C 58.54 9.51 12.08 22.88 111.50 -111.23 -68.17 148.43 66.80 7.37 25.82 48.36 7.48 10.37 16.39 9.91 0.01 5.76 1.72 46 K C C 125.39 4.90 15.44 21.52 111.27 -120.06 -84.21 129.21 56.93 13.52 29.55 37.86 8.44 10.32 18.47 11.60 0.08 10.18 3.05 47 M C C 70.47 13.12 10.96 24.03 111.43 -148.29 -90.40 123.44 53.05 12.82 34.12 35.45 9.55 8.04 23.63 10.83 0.10 9.83 2.57 48 Q C C 110.16 4.88 15.62 21.54 107.07 -139.95 -85.15 70.63 54.46 10.17 35.37 35.20 10.12 9.31 24.05 11.44 0.07 8.04 1.78 49 T C C 70.06 6.95 15.44 23.37 108.29 -96.36 -83.33 110.70 57.04 8.50 34.46 36.84 8.96 11.24 22.99 11.69 0.06 6.48 1.74 50 L C C 59.27 14.44 11.24 25.26 100.68 -132.25 -77.38 -6.97 56.14 6.60 37.27 34.80 10.17 11.52 24.39 12.72 0.08 4.26 2.07 51 E C T 118.76 5.28 14.82 21.40 102.83 79.92 -72.35 22.87 56.51 3.33 40.16 21.30 11.51 24.08 24.06 15.63 0.15 1.90 1.37 52 G C T 47.11 4.20 16.12 21.05 98.54 24.75 60.34 -5.88 61.73 2.24 36.02 20.02 12.65 29.44 18.49 16.98 0.09 1.16 1.16 53 L C C 62.68 12.04 13.67 26.01 98.24 77.23 -82.34 -21.29 63.42 3.60 32.97 35.81 12.24 15.60 15.73 17.07 0.03 1.95 1.57 54 F C C 67.64 15.18 11.72 26.35 104.15 67.38 -87.37 20.81 73.81 4.80 21.40 48.03 11.87 13.69 11.02 10.52 0.02 2.77 2.07 55 D C C 114.64 2.24 17.55 20.13 99.57 100.86 -90.51 0.72 86.59 2.73 10.68 53.19 18.75 14.75 4.71 5.84 0.00 1.55 1.20 56 D C C 54.96 10.96 11.07 23.07 115.68 105.99 -95.13 128.08 96.63 1.07 2.30 64.92 26.10 5.63 1.14 1.05 0.00 0.45 0.72 57 P C S 105.82 3.68 15.65 20.78 94.75 -148.56 -71.98 -15.47 97.92 0.30 1.78 22.72 62.95 12.42 0.98 0.63 0.00 0.13 0.18 58 N C C 71.45 8.47 17.18 26.61 108.96 80.48 -93.43 110.33 93.95 1.49 4.56 47.50 42.57 3.75 3.67 0.92 0.00 0.39 1.19 59 A H H 22.12 18.39 17.21 35.39 93.67 -156.55 -63.03 -36.51 4.21 0.04 95.75 1.40 1.05 1.85 95.33 0.34 0.00 0.01 0.02 60 V H H 28.93 19.06 20.23 38.25 92.16 53.61 -64.00 -41.43 0.97 0.00 99.03 0.17 0.09 0.59 98.97 0.17 0.00 0.00 0.00 61 T H H 43.79 8.12 23.81 32.65 91.69 50.20 -64.61 -41.65 0.38 0.00 99.62 0.09 0.03 0.22 99.51 0.14 0.00 0.00 0.00 62 W H H 60.78 11.82 23.96 36.19 91.89 49.74 -64.13 -42.51 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 63 A H H 3.08 23.48 20.08 43.74 91.24 50.77 -63.17 -43.72 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 64 M H H 42.29 15.41 23.85 38.73 91.62 49.97 -63.61 -41.97 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 65 K H H 87.36 5.76 25.56 31.67 91.60 50.00 -64.37 -42.17 0.02 0.00 99.98 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 66 E H H 19.78 13.92 19.22 34.55 91.44 50.17 -63.77 -42.66 0.07 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 67 L H H 18.63 19.03 16.52 35.49 91.92 49.31 -63.82 -42.88 0.21 0.00 99.79 0.01 0.01 0.19 99.72 0.08 0.00 0.00 0.00 68 L H H 87.60 8.45 18.15 27.29 91.29 51.04 -65.33 -34.44 2.34 0.00 97.65 0.03 0.04 2.47 97.30 0.16 0.00 0.00 0.00 69 T C T 85.44 3.21 18.01 21.43 92.20 50.39 -84.89 -5.91 78.83 0.01 21.16 0.12 0.52 77.52 21.53 0.29 0.00 0.00 0.01 70 G C T 45.66 7.07 14.92 23.28 93.45 -114.78 77.00 13.74 99.72 0.00 0.28 0.33 0.98 98.53 0.13 0.02 0.00 0.00 0.00 71 R C S 114.99 7.03 18.17 26.30 95.47 121.40 -82.92 -19.59 99.56 0.36 0.08 18.70 78.45 2.52 0.02 0.05 0.00 0.17 0.09 72 L C C 15.74 22.56 12.57 34.59 126.09 46.91 -122.32 138.87 68.22 31.60 0.19 35.32 33.35 2.42 0.06 0.17 0.00 24.66 4.03 73 V C C 70.72 7.17 23.79 31.67 127.34 -170.46 -125.21 141.86 53.26 46.68 0.06 50.90 2.07 0.15 0.02 0.04 0.00 43.49 3.33 74 F C C 60.76 18.58 14.50 32.22 117.91 -143.47 -101.12 131.99 61.02 38.76 0.22 55.26 3.96 0.58 0.08 0.16 0.00 37.04 2.91 75 G C C 28.69 8.13 16.30 25.38 131.49 147.99 -143.59 175.48 86.49 12.11 1.40 68.30 14.54 3.40 0.40 1.12 0.00 10.55 1.70 76 E C T 142.62 3.28 14.60 19.12 100.76 -83.39 -77.97 -0.94 80.78 3.46 15.76 26.77 20.67 34.16 2.29 13.01 0.01 2.08 1.02 77 N C T 119.51 2.59 15.12 18.36 100.90 39.67 -83.77 41.85 83.97 2.06 13.96 30.80 19.63 33.81 2.09 11.77 0.00 1.11 0.78 78 L C C 69.70 11.89 11.29 23.57 109.23 134.76 -88.43 117.41 84.32 2.35 13.33 53.77 23.05 7.69 3.50 9.53 0.00 1.09 1.37 79 V C C 54.71 10.07 11.99 23.47 116.12 -126.47 -91.27 136.65 95.24 0.90 3.86 70.48 23.34 1.50 2.94 0.84 0.00 0.33 0.57 80 P C C 68.06 4.77 14.84 21.01 110.51 -107.53 -66.93 147.94 91.18 0.50 8.32 87.65 1.84 1.97 7.12 0.95 0.00 0.19 0.28 81 E H H 114.93 5.85 12.01 19.35 95.15 -119.22 -63.06 -37.14 21.84 0.18 77.99 13.11 3.78 5.80 74.19 2.97 0.00 0.07 0.08 82 D H H 100.52 1.73 14.75 16.24 93.26 53.11 -66.59 -38.05 11.93 0.12 87.95 5.29 2.01 5.10 84.63 2.87 0.01 0.06 0.04 83 R H H 120.56 3.45 14.95 19.22 92.72 50.48 -66.66 -39.55 5.81 0.10 94.09 3.07 0.92 2.24 91.01 2.66 0.01 0.06 0.03 84 L H H 49.17 9.36 12.27 23.19 92.18 51.43 -64.94 -41.51 3.40 0.08 96.52 1.82 0.55 1.27 95.22 1.08 0.00 0.04 0.01 85 Q H H 90.83 3.89 15.60 20.49 92.00 50.72 -64.54 -40.96 2.92 0.07 97.00 1.57 0.39 1.08 96.30 0.61 0.00 0.04 0.01 86 K H H 112.04 2.02 16.64 18.17 92.07 50.85 -64.82 -41.62 2.12 0.05 97.83 0.96 0.29 0.90 97.26 0.55 0.00 0.03 0.01 87 E H H 82.43 4.55 15.55 21.38 92.11 49.69 -64.80 -40.60 2.39 0.06 97.55 0.96 0.31 1.14 96.82 0.72 0.00 0.03 0.01 88 M H H 71.71 7.58 13.68 22.64 92.42 51.01 -65.24 -40.45 3.07 0.06 96.87 1.09 0.37 1.60 95.72 1.17 0.00 0.03 0.01 89 E H H 108.08 3.07 14.89 18.77 92.17 52.08 -65.68 -38.37 5.61 0.07 94.32 1.43 0.64 3.47 92.04 2.34 0.01 0.04 0.02 90 R H H 147.13 1.88 15.47 17.23 93.68 50.78 -68.65 -36.55 17.64 0.10 82.27 2.06 1.50 13.89 79.78 2.64 0.04 0.04 0.05 91 L H H 82.48 5.15 13.87 20.26 95.31 49.32 -74.25 -34.00 29.57 0.23 70.20 4.49 3.99 21.54 67.14 2.54 0.06 0.09 0.14 92 Y C H 100.82 6.45 11.85 19.87 98.32 59.74 -72.79 -33.97 51.18 0.73 48.08 29.48 15.79 6.46 44.80 2.86 0.01 0.27 0.33 93 P H H 73.65 3.43 12.81 17.53 96.28 57.82 -66.93 -35.14 43.59 0.97 55.44 33.00 4.05 6.90 50.09 5.07 0.00 0.55 0.32 94 V H H 88.89 3.48 11.30 16.01 96.51 53.96 -70.46 -33.17 32.58 1.50 65.93 22.33 4.97 6.80 56.28 8.24 0.02 0.91 0.45 95 E H H 115.98 3.42 10.02 14.86 96.73 58.56 -71.78 -28.80 33.96 1.49 64.55 23.03 4.88 7.42 55.30 7.99 0.01 0.88 0.48 96 R H H 161.94 2.20 9.46 12.90 97.50 57.25 -77.29 -20.25 43.02 1.74 55.24 26.36 6.35 11.67 47.41 6.56 0.03 0.95 0.67 97 E C C 141.73 1.80 8.80 11.81 101.77 62.73 -83.09 -1.64 62.57 1.10 36.33 46.26 1.87 14.39 33.02 3.36 0.00 0.57 0.53 98 E C C 133.02 2.93 10.44 14.89 105.25 80.48 -83.81 72.22 99.76 0.05 0.19 99.45 0.14 0.23 0.14 0.01 0.00 0.02 0.01