# 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 G C C 42.03 5.57 12.57 19.52 120.13 -136.65 91.57 174.13 99.89 0.08 0.02 99.73 0.14 0.07 0.01 0.00 0.00 0.04 0.01 1 R C C 165.94 3.08 9.52 14.29 109.78 -82.75 -87.83 120.31 88.57 4.63 6.80 81.64 2.05 5.50 3.17 2.76 0.00 2.47 2.40 2 K C C 144.51 2.84 8.23 12.91 110.37 -126.89 -87.61 118.98 85.40 5.00 9.61 60.18 11.10 13.56 2.43 7.56 0.00 2.56 2.60 3 K C T 164.35 1.43 9.43 12.14 110.96 -116.44 -77.76 127.87 88.15 2.34 9.50 26.07 15.90 46.55 1.67 7.53 0.00 1.24 1.04 4 G C T 58.20 1.89 11.29 13.98 106.59 14.82 87.32 -0.80 92.41 1.32 6.27 24.47 22.28 45.72 0.86 5.43 0.00 0.71 0.54 5 L C C 93.11 6.31 8.87 16.88 117.81 110.51 -93.14 136.84 96.88 2.57 0.56 53.34 42.70 1.07 0.20 0.29 0.00 0.92 1.48 6 P C C 75.22 6.45 10.72 18.84 113.91 -107.53 -67.91 147.87 97.03 1.75 1.22 89.19 5.56 2.39 0.37 0.74 0.00 0.90 0.85 7 E C C 143.06 2.56 13.46 17.34 110.93 -116.47 -79.28 131.99 94.33 2.41 3.26 79.58 10.67 3.81 1.11 2.13 0.00 1.08 1.62 8 F C C 100.47 11.02 8.32 19.57 114.34 -138.96 -90.01 130.20 91.63 2.12 6.26 72.01 13.83 5.65 1.98 4.18 0.00 1.02 1.33 9 E C C 129.88 3.51 12.70 17.64 110.10 -149.44 -86.98 119.85 90.78 1.81 7.41 75.79 8.88 6.03 2.13 5.23 0.00 0.95 1.00 10 E C C 129.77 4.70 11.80 18.06 102.77 -141.45 -86.60 1.58 89.03 1.77 9.20 54.78 20.61 13.42 2.09 7.20 0.00 0.86 1.03 11 S C C 74.41 3.71 14.17 19.17 119.61 58.15 -109.78 142.03 92.73 2.28 4.99 60.22 22.81 9.22 1.13 4.05 0.00 0.90 1.68 12 A C C 48.51 12.07 10.15 22.45 117.87 -108.44 -74.19 150.82 98.97 0.70 0.33 82.38 15.93 0.67 0.12 0.18 0.00 0.26 0.47 13 P C C 53.31 9.45 10.88 21.90 115.04 -102.59 -65.63 149.87 98.40 0.44 1.16 91.29 4.25 2.85 0.26 0.82 0.00 0.17 0.35 14 D C T 128.88 0.96 14.16 14.77 105.92 -102.26 -66.55 116.13 94.66 0.57 4.77 15.49 17.54 61.22 0.64 4.43 0.00 0.26 0.43 15 G C T 54.97 2.37 13.43 16.70 102.36 16.65 85.66 0.73 94.07 0.71 5.22 14.14 17.60 61.91 0.73 4.82 0.00 0.38 0.42 16 F C C 93.49 12.04 8.84 20.70 110.53 77.47 -85.55 123.69 89.92 5.64 4.44 54.69 26.03 7.86 0.93 3.72 0.00 1.71 5.03 17 D C C 71.47 5.77 13.26 20.64 110.92 -154.04 -104.85 109.71 97.54 1.76 0.70 83.05 12.34 1.88 0.23 0.47 0.00 0.69 1.34 18 P C T 89.54 6.35 10.80 19.18 94.25 -158.78 -64.76 -21.59 90.92 0.30 8.78 8.67 16.40 65.62 1.27 7.69 0.00 0.16 0.20 19 E C T 152.56 0.98 14.13 14.37 95.67 63.11 -76.33 -19.11 89.15 0.44 10.41 6.33 21.74 61.14 1.86 8.36 0.00 0.21 0.37 20 N C C 69.07 6.31 12.03 20.09 107.42 33.65 -117.95 82.45 86.99 2.44 10.57 45.01 33.81 8.04 2.29 8.10 0.00 0.93 1.81 21 P H G 50.41 11.06 11.15 23.77 93.34 165.72 -65.73 -25.03 42.27 0.66 57.06 16.56 4.18 17.93 2.63 58.13 0.00 0.39 0.17 22 Y H G 105.62 9.91 12.37 23.20 93.46 64.58 -76.16 -12.30 39.61 0.32 60.07 4.25 3.51 28.21 1.88 61.86 0.00 0.18 0.09 23 K H G 148.16 2.09 16.51 18.83 94.12 66.47 -82.35 -6.51 40.30 0.36 59.34 6.63 6.06 23.74 1.66 61.59 0.00 0.19 0.12 24 D C C 53.95 8.57 10.49 21.06 109.67 99.22 -90.74 113.67 99.10 0.38 0.52 67.16 31.62 0.27 0.37 0.11 0.00 0.07 0.40 25 P H H 93.57 2.93 14.62 19.02 92.57 -156.24 -61.63 -34.44 4.33 0.01 95.65 0.71 0.64 2.82 95.31 0.51 0.00 0.00 0.01 26 V H H 91.68 2.32 17.28 19.48 91.93 54.19 -64.68 -40.43 1.71 0.00 98.29 0.18 0.13 1.32 97.83 0.54 0.00 0.00 0.00 27 A H H 17.79 10.92 13.79 26.79 91.61 50.07 -64.41 -41.42 0.47 0.00 99.53 0.09 0.03 0.28 99.07 0.52 0.00 0.00 0.00 28 M H H 61.97 9.55 16.01 26.81 91.64 50.81 -63.20 -42.28 0.19 0.00 99.81 0.04 0.01 0.10 99.69 0.16 0.00 0.00 0.00 29 V H H 76.31 2.64 20.26 22.23 91.56 49.14 -63.95 -42.51 0.17 0.00 99.83 0.03 0.01 0.10 99.81 0.05 0.00 0.00 0.00 30 E H H 91.29 3.97 20.11 24.33 91.62 49.44 -64.54 -41.25 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.04 0.00 0.00 0.00 31 M H H 39.43 12.85 15.78 29.64 91.90 50.80 -63.95 -41.69 0.27 0.00 99.73 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 32 R H H 117.88 5.48 19.76 25.93 91.77 50.82 -64.02 -40.99 0.22 0.00 99.78 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 33 E H H 100.66 2.70 20.74 22.74 91.88 49.86 -64.67 -41.40 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 34 H H H 74.89 7.88 18.71 27.31 92.14 49.93 -65.21 -41.20 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 35 I H H 51.85 10.23 17.40 28.51 92.00 49.98 -64.07 -41.95 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 36 V H H 70.48 3.63 20.20 23.91 91.74 49.81 -63.87 -42.66 0.27 0.00 99.73 0.04 0.02 0.15 99.76 0.03 0.00 0.00 0.00 37 R H H 113.92 3.72 20.26 24.06 91.76 49.64 -64.53 -41.90 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 38 E H H 56.34 10.47 17.30 28.56 92.00 50.59 -64.67 -40.95 0.18 0.00 99.82 0.01 0.01 0.12 99.81 0.04 0.00 0.00 0.00 39 K H H 97.66 6.85 19.28 26.69 92.00 51.01 -64.11 -41.01 0.26 0.00 99.74 0.01 0.01 0.20 99.73 0.05 0.00 0.00 0.00 40 W H H 135.03 3.03 20.55 23.16 91.89 50.07 -64.67 -41.96 0.26 0.00 99.74 0.02 0.01 0.19 99.73 0.05 0.00 0.00 0.00 41 I H H 62.00 6.53 19.09 26.59 91.93 49.23 -64.50 -42.63 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 42 Q H H 63.86 10.08 18.38 28.93 91.96 50.74 -63.73 -41.41 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 43 I H H 73.12 5.55 19.62 25.95 91.79 50.00 -64.08 -41.90 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 44 E H H 92.53 3.38 21.26 24.23 91.86 49.78 -64.64 -41.81 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 45 K H H 81.50 8.24 19.93 28.45 91.95 49.44 -65.14 -40.97 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 46 A H H 26.82 10.91 17.12 29.32 91.81 51.50 -63.67 -41.26 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 47 K H H 112.39 2.94 21.35 23.89 91.82 50.60 -64.52 -41.27 0.21 0.00 99.79 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 48 I H H 76.94 4.58 20.42 25.02 91.76 49.42 -64.50 -42.39 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 49 L H H 42.24 12.32 17.43 30.47 91.96 49.85 -64.47 -42.20 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 50 R H H 107.56 7.49 19.31 27.46 91.59 51.14 -63.15 -41.22 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 51 E H H 100.17 2.44 21.75 23.06 91.59 49.91 -64.71 -41.30 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 52 K H H 86.96 7.36 20.20 27.93 91.82 49.84 -64.88 -41.21 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 53 V H H 29.17 14.94 16.52 32.07 91.68 50.61 -64.17 -41.86 0.17 0.00 99.83 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 54 K H H 107.09 3.80 21.65 25.47 91.55 51.22 -63.29 -41.94 0.24 0.00 99.76 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 55 W H H 124.55 2.79 21.33 23.35 91.59 49.63 -64.17 -41.78 0.29 0.00 99.71 0.02 0.01 0.18 99.75 0.04 0.00 0.00 0.00 56 C H H 16.88 12.16 14.72 28.88 91.59 50.64 -63.72 -42.41 0.30 0.00 99.70 0.03 0.02 0.17 99.72 0.05 0.00 0.00 0.00 57 Y H H 82.58 9.96 14.79 25.81 92.20 50.25 -65.10 -40.30 0.24 0.00 99.76 0.02 0.01 0.15 99.75 0.06 0.00 0.00 0.00 58 R H H 165.67 1.39 17.16 17.82 93.20 47.45 -68.33 -39.24 0.50 0.00 99.50 0.02 0.02 0.40 99.45 0.11 0.00 0.00 0.00 59 V H H 97.33 2.97 15.75 19.02 99.49 35.97 -84.93 -38.37 2.13 0.00 97.87 0.04 0.09 1.98 97.71 0.18 0.00 0.00 0.00 60 E H H 87.51 7.02 12.26 20.65 101.39 27.37 -104.73 -16.26 9.39 0.02 90.59 0.46 1.37 7.37 90.50 0.26 0.02 0.00 0.02 61 G C C 33.17 3.56 15.30 20.28 123.46 -129.65 84.03 -173.31 90.64 0.59 8.76 63.21 16.34 10.10 2.18 7.37 0.00 0.22 0.57 62 V C T 107.96 3.56 13.52 18.23 96.65 -35.97 -72.29 -19.34 88.49 0.69 10.81 5.21 26.89 56.98 1.66 8.39 0.00 0.33 0.53 63 N C T 90.88 3.51 15.64 19.92 98.60 47.54 -92.17 35.33 89.22 0.21 10.58 32.03 10.22 47.53 2.68 7.28 0.00 0.09 0.17 64 H H H 40.03 14.26 11.13 26.29 93.48 137.62 -60.81 -38.95 9.91 0.06 90.03 4.09 2.07 4.29 84.10 5.37 0.01 0.02 0.05 65 Y H H 108.15 9.88 14.72 25.28 92.04 52.93 -64.88 -35.71 4.07 0.01 95.92 0.34 0.38 3.19 89.07 7.01 0.01 0.00 0.01 66 Q H H 123.73 1.44 18.69 18.81 93.20 48.58 -68.52 -37.88 2.81 0.01 97.19 0.18 0.19 2.28 90.06 7.28 0.00 0.00 0.00 67 K H H 110.36 5.07 16.89 22.80 95.53 39.41 -80.15 -30.32 6.35 0.01 93.64 0.19 0.39 5.81 88.39 5.21 0.02 0.00 0.00 68 C C T 15.42 18.30 10.66 29.07 102.88 36.93 -113.86 16.94 58.48 0.13 41.39 6.24 3.95 47.44 38.02 4.15 0.02 0.04 0.14 69 R H H 118.68 7.32 15.66 24.85 92.47 117.04 -58.46 -41.40 1.47 0.00 98.53 0.29 0.13 0.82 98.10 0.66 0.00 0.00 0.00 70 H H H 126.67 1.60 21.12 21.05 91.78 52.10 -64.43 -39.63 0.45 0.00 99.55 0.02 0.02 0.35 99.10 0.50 0.00 0.00 0.00 71 L H H 33.63 13.15 17.53 31.52 92.11 49.25 -65.45 -41.58 0.17 0.00 99.83 0.01 0.01 0.11 99.54 0.33 0.00 0.00 0.00 72 V H H 23.72 16.65 15.88 32.83 91.69 51.37 -62.73 -43.13 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 73 Q H H 99.04 3.03 21.95 24.55 91.45 50.41 -63.54 -41.24 0.17 0.00 99.83 0.01 0.00 0.10 99.82 0.05 0.00 0.00 0.00 74 Q H H 87.14 4.35 20.92 25.37 91.72 49.81 -64.57 -41.56 0.18 0.00 99.82 0.01 0.00 0.13 99.79 0.07 0.00 0.00 0.00 75 Y H H 33.20 16.78 16.29 33.33 92.06 49.04 -64.81 -42.87 0.34 0.00 99.66 0.03 0.02 0.22 99.59 0.14 0.00 0.00 0.00 76 L H H 54.02 11.86 17.36 29.76 91.78 49.80 -64.34 -40.02 0.78 0.00 99.21 0.06 0.04 0.57 98.88 0.44 0.00 0.00 0.00 77 D H H 96.02 2.10 20.52 21.78 92.22 51.33 -65.89 -38.06 3.34 0.00 96.66 0.19 0.17 2.79 95.29 1.55 0.00 0.00 0.00 78 S H H 48.08 8.39 16.45 25.93 92.22 51.99 -69.36 -28.31 11.66 0.02 88.32 0.55 0.62 10.30 86.37 2.13 0.01 0.01 0.01 79 T H H 36.64 15.91 13.19 28.78 96.95 47.02 -88.88 -8.64 34.78 0.39 64.84 6.08 4.58 24.95 60.69 3.20 0.09 0.14 0.27 80 R C T 138.49 6.19 15.50 23.31 107.20 98.17 -70.98 116.38 66.05 1.70 32.24 15.13 11.05 39.73 27.69 4.56 0.11 0.72 1.01 81 G C T 51.74 3.87 15.71 20.55 101.48 17.28 79.72 0.97 81.78 1.15 17.07 28.21 12.98 41.29 12.22 4.12 0.01 0.50 0.67 82 V C C 82.50 7.26 12.69 21.32 112.08 119.03 -91.80 123.95 85.07 2.21 12.72 47.15 20.70 17.53 7.95 4.30 0.01 0.86 1.48 83 G C C 36.83 6.52 14.99 22.58 115.75 19.55 95.43 -166.54 86.39 2.56 11.04 44.19 23.95 18.71 4.07 6.26 0.01 1.01 1.79 84 W C T 146.07 7.41 13.11 21.44 105.63 -43.21 -76.14 79.50 78.90 1.93 19.17 18.55 17.98 43.08 5.54 12.61 0.02 0.88 1.34 85 G C T 42.59 6.40 14.03 21.46 101.15 24.97 63.82 -4.79 77.35 1.62 21.02 19.30 16.59 42.19 5.52 14.54 0.02 0.75 1.08 86 K C C 117.61 6.34 12.07 19.77 99.54 93.01 -72.21 -22.81 65.53 2.52 31.94 30.13 16.06 20.49 6.60 24.12 0.01 1.14 1.44 87 D C C 103.10 3.60 12.61 17.53 99.79 56.04 -83.14 -1.94 71.77 2.44 25.78 34.18 15.60 22.71 5.17 19.88 0.01 1.19 1.26 88 H C C 123.32 4.78 11.22 17.53 105.01 67.62 -91.58 46.50 80.63 2.48 16.89 47.71 16.57 15.86 3.22 13.99 0.00 1.14 1.51 89 R C C 132.77 5.49 9.83 17.26 117.26 142.30 -92.54 135.54 97.74 1.77 0.49 66.93 30.07 0.88 0.20 0.25 0.00 0.69 0.98 90 P C C 90.79 4.32 9.67 15.98 112.07 -107.59 -67.54 147.95 98.55 0.84 0.62 89.11 5.77 3.76 0.16 0.39 0.00 0.43 0.38 91 I C C 131.56 2.57 8.85 13.28 109.73 -108.38 -81.00 129.46 97.63 1.39 0.98 93.46 0.95 3.63 0.28 0.40 0.00 0.59 0.70 92 S C C 87.25 2.53 10.53 14.71 111.29 -130.81 -89.48 124.82 99.93 0.06 0.01 99.79 0.11 0.06 0.00 0.00 0.00 0.03 0.01