# 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 128.53 3.70 10.64 15.88 113.88 -160.75 -95.68 128.46 99.96 0.03 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.01 0.00 1 S C C 83.44 2.74 8.51 13.19 115.56 -140.68 -94.04 133.98 94.86 3.84 1.30 91.32 1.35 2.70 0.45 0.54 0.00 1.71 1.93 2 L C C 127.00 2.62 7.91 12.39 108.08 -158.35 -96.52 90.91 92.12 6.03 1.85 63.34 24.51 4.16 0.68 1.13 0.00 2.84 3.35 3 T C C 94.12 3.13 8.85 13.98 117.63 -142.00 -98.46 135.54 94.64 3.47 1.89 72.84 19.38 2.55 0.72 1.15 0.00 2.05 1.30 4 P C C 87.07 5.38 9.03 16.18 112.77 -110.47 -70.79 145.30 89.74 2.22 8.04 66.42 12.11 10.84 1.84 6.58 0.00 1.36 0.84 5 F C C 156.42 2.71 10.82 14.79 101.82 -139.01 -86.85 -12.61 83.48 6.44 10.08 43.24 24.62 16.13 2.34 7.49 0.01 3.52 2.66 6 L C C 104.21 4.90 9.39 16.03 117.62 48.81 -107.26 129.02 78.79 13.05 8.16 51.85 16.99 9.61 2.47 5.83 0.02 7.66 5.57 7 R C C 149.98 4.26 10.73 17.11 119.30 -162.40 -109.03 134.39 86.49 10.10 3.41 68.63 13.33 3.91 1.43 2.10 0.00 6.27 4.32 8 L C C 78.92 6.26 9.44 17.54 120.64 -149.22 -96.42 148.96 96.64 2.17 1.19 80.48 14.84 1.38 0.77 0.39 0.00 1.07 1.07 9 P C T 95.81 3.11 11.73 16.23 95.47 -105.80 -61.25 -33.38 61.43 0.68 37.89 15.27 9.97 36.88 28.67 8.42 0.04 0.33 0.41 10 L C T 112.72 3.12 11.72 15.93 94.50 51.91 -72.83 -23.80 54.94 0.83 44.23 10.70 8.76 35.87 33.63 9.96 0.11 0.42 0.55 11 T H H 61.23 7.25 10.74 19.46 98.96 57.14 -75.87 -31.87 43.61 2.20 54.19 17.17 9.54 18.52 39.42 13.01 0.15 1.18 1.03 12 D H H 85.63 5.32 12.67 19.37 95.53 59.44 -69.01 -28.63 37.72 2.06 60.21 18.70 7.52 13.02 46.07 12.63 0.09 1.13 0.84 13 L H H 101.97 4.35 13.36 18.90 95.20 58.60 -72.96 -27.42 33.85 4.02 62.13 10.74 6.82 17.33 47.63 13.27 0.41 2.21 1.61 14 T H H 76.38 6.30 12.71 20.18 98.24 58.00 -82.30 -10.87 36.56 3.38 60.06 10.89 7.57 19.23 45.99 12.61 0.38 1.92 1.39 15 G H H 41.20 7.09 12.98 21.24 99.09 65.48 -69.56 -19.34 48.33 1.58 50.08 13.10 10.10 25.43 33.78 15.80 0.15 0.85 0.78 16 C C H 76.98 6.64 13.56 21.34 107.48 67.68 -92.52 30.22 52.86 2.84 44.30 16.94 11.47 24.98 27.25 16.33 0.18 1.70 1.16 17 L C C 90.04 8.14 13.58 22.78 113.39 85.83 -93.92 126.54 51.41 8.82 39.78 27.77 11.16 13.42 24.64 14.46 0.18 5.55 2.82 18 I C C 90.38 8.73 14.73 24.30 115.55 -155.14 -100.56 130.43 55.07 11.82 33.11 32.54 11.27 11.78 21.30 11.64 0.19 7.88 3.41 19 N C C 70.21 11.69 14.25 26.29 115.20 -158.29 -100.85 127.63 64.88 9.24 25.89 38.83 11.14 14.71 14.99 11.01 0.06 6.56 2.69 20 H C C 95.92 9.38 16.38 26.31 105.09 -159.06 -100.36 47.71 70.81 6.24 22.95 42.68 12.90 15.22 10.91 11.94 0.03 3.82 2.50 21 Q C C 65.35 13.38 13.08 26.51 106.49 135.51 -84.74 93.66 75.88 4.53 19.59 45.80 13.41 16.77 7.80 11.64 0.01 2.59 1.98 22 T C C 75.01 7.20 14.87 23.04 104.73 133.12 -92.26 3.37 81.54 2.71 15.75 43.18 18.06 20.77 5.55 9.71 0.01 1.28 1.44 23 Y C C 137.20 6.45 13.56 20.99 104.87 67.83 -91.28 12.92 85.91 1.49 12.60 37.54 32.00 16.80 5.67 6.29 0.00 0.58 1.12 24 D C S 83.23 4.94 15.03 21.03 117.06 68.26 -89.81 -33.59 81.46 0.87 17.68 15.92 47.42 18.67 12.68 4.21 0.02 0.29 0.80 25 K C T 125.47 5.23 17.17 23.25 94.80 -62.30 -68.42 -25.77 75.93 0.24 23.83 2.25 7.50 66.12 17.18 6.52 0.05 0.11 0.27 26 C C T 20.66 17.86 12.80 30.56 97.24 45.76 -95.71 -5.75 71.40 0.16 28.44 3.75 4.68 62.10 24.17 5.07 0.01 0.07 0.15 27 G H H 18.75 10.89 15.17 27.90 92.74 91.81 -59.47 -41.62 4.38 0.01 95.60 1.99 0.66 1.59 94.99 0.76 0.00 0.00 0.01 28 K H H 126.83 2.34 22.50 24.02 91.96 50.60 -64.96 -40.21 0.62 0.00 99.38 0.13 0.05 0.34 99.24 0.24 0.00 0.00 0.00 29 F H H 53.00 11.74 19.42 31.87 92.13 50.08 -65.24 -41.73 0.20 0.00 99.80 0.04 0.01 0.11 99.67 0.17 0.00 0.00 0.00 30 E H H 28.47 17.64 17.47 35.07 91.76 51.15 -63.83 -41.91 0.09 0.00 99.91 0.01 0.01 0.05 99.87 0.06 0.00 0.00 0.00 31 M H H 82.84 5.94 22.44 28.67 91.72 51.30 -63.94 -41.16 0.08 0.00 99.92 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 32 K H H 97.66 5.47 23.06 28.72 91.75 50.29 -64.67 -40.98 0.13 0.00 99.87 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 33 M H H 26.33 17.16 18.37 35.56 91.97 50.79 -64.18 -42.02 0.18 0.00 99.82 0.01 0.00 0.14 99.79 0.05 0.00 0.00 0.00 34 M H H 60.23 11.47 20.75 32.43 91.50 50.87 -63.43 -41.69 0.19 0.00 99.81 0.01 0.01 0.15 99.77 0.06 0.00 0.00 0.00 35 E H H 102.47 3.03 24.30 26.50 91.81 50.09 -64.57 -41.17 0.99 0.00 99.01 0.03 0.03 0.92 98.86 0.16 0.00 0.00 0.00 36 C H H 21.10 11.30 17.93 31.01 91.62 50.73 -64.00 -42.35 1.25 0.00 98.75 0.06 0.07 1.05 98.07 0.75 0.00 0.00 0.00 37 F H H 40.04 13.63 15.84 30.41 91.94 50.43 -64.24 -40.71 0.90 0.00 99.09 0.07 0.06 0.66 97.00 2.21 0.00 0.00 0.00 38 E H H 111.58 3.65 18.08 22.39 92.36 51.32 -65.20 -39.54 1.71 0.00 98.29 0.10 0.09 1.45 95.45 2.92 0.00 0.00 0.00 39 A H H 68.30 3.58 16.93 21.21 92.99 52.21 -68.90 -33.69 5.46 0.01 94.53 0.16 0.28 5.12 92.41 2.03 0.01 0.00 0.00 40 Y H H 97.17 8.45 12.79 22.53 99.04 38.51 -95.76 -13.21 28.05 0.10 71.85 1.38 3.93 22.36 70.96 1.19 0.06 0.03 0.09 41 G C C 44.29 2.71 16.02 19.26 111.29 -115.32 87.73 34.86 94.48 0.25 5.28 53.60 7.98 32.86 4.34 0.96 0.00 0.11 0.16 42 L H H 87.23 5.89 12.72 19.82 119.54 -6.93 -88.97 165.36 40.85 0.57 58.59 10.65 19.50 12.26 53.68 3.22 0.08 0.16 0.45 43 E H H 149.89 1.27 16.24 16.91 94.58 -57.08 -63.91 -37.43 24.14 0.11 75.76 1.73 3.78 18.71 71.26 4.30 0.10 0.04 0.08 44 R H H 124.38 3.44 16.48 20.54 93.30 50.34 -68.06 -35.23 17.86 0.07 82.08 2.27 1.88 13.72 77.84 4.17 0.04 0.03 0.04 45 G H H 7.21 15.22 11.45 27.80 92.48 55.44 -63.12 -41.88 5.17 0.03 94.80 1.86 0.72 2.51 92.04 2.84 0.00 0.02 0.01 46 K H H 98.14 8.59 17.41 26.79 92.04 52.31 -63.51 -40.63 2.13 0.01 97.86 0.43 0.23 1.35 95.46 2.52 0.00 0.01 0.00 47 R H H 149.63 1.57 22.01 21.79 92.39 48.88 -66.25 -39.99 1.82 0.01 98.17 0.20 0.15 1.34 95.59 2.70 0.00 0.01 0.00 48 E H H 81.21 8.41 19.43 28.39 92.68 48.23 -69.80 -36.83 6.04 0.01 93.95 0.24 0.32 5.52 91.36 2.54 0.01 0.00 0.00 49 C H H 9.33 21.15 13.38 34.44 95.22 48.47 -80.83 -16.47 28.28 0.03 71.69 1.37 1.16 24.90 69.94 2.58 0.01 0.01 0.02 50 A H H 53.35 7.25 19.70 27.89 92.09 71.00 -60.67 -41.16 2.07 0.00 97.93 0.42 0.18 1.17 97.16 1.07 0.00 0.00 0.00 51 D H H 83.54 3.30 23.02 25.82 92.00 50.25 -65.36 -39.74 0.85 0.00 99.15 0.08 0.05 0.61 98.16 1.10 0.00 0.00 0.00 52 L H H 28.24 16.67 18.62 35.17 92.12 50.07 -65.17 -42.03 0.53 0.00 99.47 0.06 0.03 0.35 98.56 1.00 0.00 0.00 0.00 53 I H H 37.56 15.06 19.09 34.18 91.64 50.54 -63.68 -42.30 0.42 0.00 99.58 0.05 0.03 0.27 99.23 0.43 0.00 0.00 0.00 54 S H H 57.77 3.23 23.62 26.19 91.45 50.81 -63.82 -41.26 0.56 0.00 99.44 0.04 0.03 0.41 99.21 0.31 0.00 0.00 0.00 55 D H H 43.01 10.75 20.15 31.60 92.04 50.91 -65.09 -41.36 0.74 0.00 99.26 0.05 0.04 0.58 98.82 0.51 0.00 0.00 0.00 56 F H H 25.78 19.00 17.59 36.43 91.97 50.26 -65.29 -41.03 0.71 0.00 99.29 0.05 0.04 0.56 98.46 0.89 0.00 0.00 0.00 57 Q H H 89.57 6.72 22.59 29.57 91.63 51.63 -63.83 -40.42 1.34 0.00 98.66 0.09 0.09 1.11 97.21 1.49 0.00 0.00 0.00 58 E H H 76.83 5.63 21.31 27.55 91.96 51.41 -65.51 -38.65 4.36 0.00 95.64 0.19 0.23 3.85 92.61 3.10 0.00 0.00 0.00 59 C H H 19.03 16.83 15.58 32.85 93.27 52.80 -71.03 -27.90 20.28 0.02 79.69 1.02 0.92 18.16 75.72 4.13 0.01 0.01 0.02 60 V C T 59.17 12.03 17.86 30.04 95.87 54.42 -85.19 -13.76 53.03 0.11 46.86 2.62 4.39 44.75 43.48 4.58 0.03 0.04 0.10 61 G C S 32.27 6.38 16.61 24.09 114.84 90.59 -86.02 149.30 89.00 0.85 10.15 23.94 56.23 7.61 10.12 1.09 0.00 0.18 0.83 62 M H H 118.75 5.00 15.08 21.30 94.81 -116.70 -61.31 -35.14 8.98 0.02 90.99 1.11 2.60 4.93 90.66 0.66 0.01 0.01 0.02 63 Q H H 118.44 2.26 18.43 20.31 92.74 52.73 -65.49 -40.96 3.20 0.00 96.80 0.34 0.34 2.26 96.47 0.58 0.00 0.00 0.00 64 K H H 57.74 11.37 15.64 27.92 92.72 48.08 -66.78 -40.06 1.27 0.00 98.73 0.21 0.11 0.81 98.28 0.59 0.00 0.00 0.00 65 Q H H 48.45 13.58 16.11 30.09 91.77 52.13 -62.99 -42.08 0.64 0.00 99.36 0.14 0.05 0.36 99.17 0.27 0.00 0.00 0.00 66 L H H 80.78 4.35 21.19 25.61 91.76 50.19 -64.19 -41.73 0.58 0.00 99.42 0.08 0.04 0.37 99.40 0.12 0.00 0.00 0.00 67 M H H 85.15 4.96 21.45 26.46 91.63 50.05 -64.46 -41.71 0.30 0.00 99.70 0.05 0.02 0.17 99.73 0.04 0.00 0.00 0.00 68 R H H 47.78 15.70 18.07 33.77 91.89 50.52 -63.95 -41.95 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 69 F H H 63.60 12.07 19.86 32.22 91.62 50.14 -63.69 -41.94 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 70 H H H 103.09 3.01 23.25 25.42 91.66 49.77 -64.31 -41.75 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 71 A H H 29.67 8.52 20.20 29.99 91.56 49.89 -63.73 -42.34 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 72 M H H 32.43 16.47 18.13 34.99 91.76 48.98 -64.74 -42.17 0.39 0.00 99.61 0.03 0.01 0.28 99.65 0.03 0.00 0.00 0.00 73 R H H 99.32 8.66 20.86 29.82 91.55 50.35 -63.27 -41.50 0.45 0.00 99.55 0.04 0.02 0.31 99.60 0.04 0.00 0.00 0.00 74 N H H 79.48 3.15 22.57 25.07 91.55 49.95 -64.40 -41.10 0.37 0.00 99.63 0.04 0.01 0.24 99.68 0.02 0.00 0.00 0.00 75 E H H 50.10 9.80 19.80 30.67 91.79 49.80 -64.90 -41.49 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 76 R H H 51.29 14.73 17.66 32.62 91.76 50.33 -63.67 -41.88 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 77 Y H H 107.28 5.20 20.89 26.38 91.51 50.20 -63.85 -41.69 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 78 K H H 92.50 3.39 20.32 23.54 91.49 50.14 -64.10 -41.64 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 79 Q H H 34.15 9.34 15.35 26.88 91.57 49.98 -64.42 -41.48 0.21 0.00 99.79 0.01 0.01 0.15 99.77 0.06 0.00 0.00 0.00 80 W H H 79.93 9.85 13.65 24.87 92.26 49.34 -64.76 -41.77 0.42 0.00 99.58 0.02 0.02 0.34 99.47 0.15 0.00 0.00 0.00 81 L H H 114.01 2.67 14.87 18.22 91.37 51.09 -65.47 -33.38 2.59 0.00 97.41 0.05 0.07 2.53 97.14 0.21 0.00 0.00 0.00 82 K C T 131.14 2.07 13.54 16.04 91.87 51.56 -84.97 -3.93 73.22 0.02 26.77 0.26 1.03 71.00 27.13 0.56 0.00 0.00 0.02 83 G C T 53.92 2.86 11.92 16.38 95.28 -113.40 78.98 10.37 99.10 0.01 0.88 0.76 2.89 95.69 0.49 0.15 0.00 0.01 0.01 84 E C S 126.12 2.43 13.71 17.13 95.43 125.59 -79.16 -21.58 98.30 0.26 1.44 22.47 66.87 9.01 0.41 0.94 0.00 0.10 0.20 85 R C S 71.00 11.77 9.54 22.06 126.76 34.96 -128.17 143.57 97.33 0.75 1.92 29.58 59.39 8.18 0.47 1.38 0.00 0.25 0.75 86 K C C 137.56 2.46 16.64 19.27 118.66 -154.59 -99.15 145.00 97.99 0.36 1.65 83.56 10.94 3.37 0.51 1.15 0.00 0.13 0.35 87 G C C 33.27 8.87 12.89 22.49 113.26 -94.28 55.57 -158.39 66.98 0.69 32.32 31.82 21.57 14.31 13.67 17.67 0.01 0.23 0.73 88 Q H G 124.68 3.83 13.74 19.07 92.63 47.33 -67.41 -29.20 27.32 0.18 72.50 4.25 4.23 17.54 24.22 49.56 0.01 0.09 0.10 89 E H G 132.60 2.16 15.61 18.13 92.29 57.76 -70.62 -23.18 19.61 0.17 80.22 3.49 2.44 12.15 28.49 53.27 0.00 0.10 0.06 90 F H G 70.06 11.74 12.75 25.18 94.83 55.08 -75.23 -26.51 24.80 0.38 74.82 5.85 4.07 13.43 31.32 44.96 0.01 0.20 0.16 91 F C C 58.57 14.54 11.84 26.49 104.27 46.61 -103.12 21.91 54.98 3.40 41.62 24.56 12.90 18.68 16.96 22.86 0.15 1.32 2.57 92 A C C 50.92 7.29 13.56 22.42 114.62 113.71 -81.64 151.01 94.95 1.54 3.51 56.04 35.74 3.10 1.99 1.23 0.00 0.44 1.46 93 D C C 108.80 2.37 17.17 19.99 115.88 -80.84 -77.50 145.07 99.26 0.58 0.16 77.97 20.77 0.56 0.06 0.07 0.00 0.20 0.38 94 P C C 77.57 8.66 13.23 23.11 117.84 -101.95 -69.37 150.64 99.79 0.16 0.05 92.84 6.74 0.23 0.01 0.02 0.00 0.06 0.09 95 P C C 41.85 15.70 10.09 25.66 115.63 -103.45 -66.54 150.60 99.41 0.34 0.25 95.37 3.49 0.60 0.08 0.11 0.00 0.11 0.24 96 R C C 162.67 2.33 16.15 18.99 112.94 -105.82 -74.74 142.28 97.15 1.87 0.98 90.77 4.77 1.31 0.31 0.55 0.00 0.57 1.72 97 V C C 101.80 6.10 10.85 18.43 109.15 -109.38 -68.99 136.05 91.21 2.03 6.76 42.67 17.06 31.33 0.89 6.09 0.00 1.00 0.97 98 D C T 104.80 4.09 11.88 17.18 99.63 27.06 -63.51 18.92 91.42 2.06 6.52 37.63 15.28 38.54 0.78 5.85 0.00 1.17 0.75 99 A C C 60.15 6.51 9.67 17.75 110.44 126.90 -93.57 110.40 89.81 4.34 5.85 79.42 3.83 6.77 1.05 4.48 0.00 2.54 1.90 100 Y C C 137.15 7.02 12.17 20.40 116.89 -140.31 -106.66 129.04 99.27 0.59 0.14 99.00 0.31 0.15 0.07 0.03 0.00 0.32 0.12