# 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 43.54 5.43 13.08 19.74 118.42 -136.82 -112.57 173.38 99.95 0.03 0.02 99.75 0.15 0.07 0.01 0.00 0.00 0.01 0.01 1 S C C 76.49 4.15 10.19 15.90 108.83 -95.44 -86.40 109.62 78.41 0.45 21.14 69.30 1.95 8.07 17.45 2.74 0.00 0.21 0.29 2 D C C 104.98 2.53 10.03 13.94 107.08 78.55 -85.46 94.52 64.24 0.70 35.06 41.45 10.81 12.68 28.31 5.98 0.00 0.30 0.48 3 Q H H 119.46 3.63 9.93 15.13 99.25 120.63 -74.10 -23.46 39.57 0.72 59.71 22.06 8.15 10.96 47.41 10.69 0.02 0.33 0.38 4 S H H 70.56 3.69 10.58 15.72 99.66 64.20 -76.21 -20.10 34.42 0.63 64.95 19.64 6.50 9.71 52.61 10.90 0.02 0.30 0.30 5 E H H 120.22 3.45 11.12 16.04 98.96 67.57 -77.79 -19.84 31.58 0.63 67.79 16.32 6.86 10.00 56.10 10.09 0.03 0.30 0.31 6 N H H 102.73 3.73 10.96 16.11 102.35 71.34 -81.49 -3.82 37.44 0.76 61.81 19.91 8.13 11.48 52.03 7.68 0.03 0.33 0.40 7 V H H 94.41 4.47 10.62 16.55 102.47 99.21 -84.24 -11.38 45.40 1.17 53.43 22.12 11.24 14.43 44.95 6.05 0.05 0.48 0.67 8 D C C 101.16 3.15 11.57 16.05 103.72 61.59 -86.07 43.32 64.53 1.07 34.40 35.86 11.74 17.91 27.90 5.43 0.01 0.43 0.72 9 R C T 154.31 3.61 10.88 16.09 102.88 124.12 -80.24 19.14 75.61 0.96 23.43 25.43 15.45 35.60 16.74 5.72 0.01 0.40 0.65 10 G C T 51.66 3.58 11.74 16.65 104.34 44.32 -82.21 10.22 84.19 1.08 14.73 32.05 18.05 35.12 8.97 4.67 0.00 0.45 0.69 11 A C C 71.92 4.32 10.80 16.80 107.67 117.18 -88.41 51.42 82.52 1.83 15.66 42.91 24.89 14.98 10.91 4.34 0.01 0.70 1.25 12 G C C 42.64 4.38 12.31 18.13 115.34 -61.93 56.72 -40.75 75.47 2.21 22.31 42.07 20.47 13.27 17.49 4.58 0.02 0.91 1.18 13 S C H 61.93 3.80 13.00 17.87 114.21 -50.99 -82.78 155.30 50.45 2.72 46.83 33.17 11.11 7.93 39.22 6.10 0.04 1.22 1.21 14 I H H 104.15 5.14 11.13 17.82 95.48 -102.60 -64.37 -35.19 23.60 1.71 74.69 10.91 5.37 9.15 58.75 14.07 0.13 1.06 0.55 15 R H H 151.21 2.77 12.72 16.59 93.65 56.61 -67.26 -35.15 21.06 1.43 77.51 8.99 4.11 8.77 60.42 16.25 0.09 0.95 0.41 16 E H H 132.89 2.13 13.02 15.69 94.72 51.92 -74.31 -29.33 26.78 1.16 72.06 9.74 5.35 12.35 55.71 15.63 0.12 0.67 0.45 17 A C T 64.26 4.60 10.44 16.59 98.32 63.49 -77.68 -18.00 56.99 0.77 42.24 11.58 12.08 33.80 33.45 8.13 0.09 0.33 0.54 18 G C T 52.14 2.54 13.31 16.53 101.40 -8.89 73.27 -2.20 85.15 0.60 14.25 24.26 16.80 44.65 10.14 3.50 0.00 0.24 0.41 19 G C C 34.42 4.23 12.61 18.25 122.19 -135.37 77.97 -173.64 74.74 0.98 24.28 37.66 26.64 10.55 20.43 3.71 0.01 0.30 0.70 20 A H H 81.62 1.91 12.78 15.15 93.90 -64.42 -65.03 -36.15 22.25 0.32 77.43 7.12 6.51 10.60 71.29 4.10 0.07 0.13 0.19 21 F H H 136.58 1.51 13.43 14.82 92.94 51.45 -66.71 -38.78 14.49 0.19 85.32 3.75 2.62 8.64 80.39 4.35 0.06 0.09 0.10 22 G H H 27.48 4.32 12.13 18.53 92.50 52.14 -64.14 -40.91 10.72 0.15 89.12 4.86 1.75 4.62 84.92 3.70 0.01 0.08 0.07 23 K H H 122.77 2.29 14.51 17.28 92.65 50.62 -65.55 -40.35 3.86 0.04 96.10 1.72 0.59 1.58 94.84 1.23 0.00 0.02 0.01 24 R H H 141.30 1.75 15.52 16.96 92.38 50.08 -65.36 -40.22 2.12 0.02 97.86 0.73 0.26 0.99 97.27 0.73 0.00 0.01 0.00 25 E H H 100.76 2.57 15.52 18.37 92.28 50.49 -65.16 -41.05 1.83 0.01 98.16 0.55 0.18 0.92 97.76 0.59 0.00 0.00 0.00 26 Q H H 95.90 2.62 15.77 18.77 92.25 50.54 -64.90 -40.86 1.83 0.01 98.16 0.46 0.18 0.94 97.96 0.45 0.00 0.00 0.00 27 A H H 51.40 2.65 15.22 18.54 91.80 50.80 -63.90 -41.32 2.03 0.01 97.96 0.50 0.17 1.05 97.88 0.40 0.00 0.00 0.00 28 E H H 104.66 2.15 16.14 18.08 91.97 50.03 -64.83 -40.91 1.90 0.00 98.10 0.46 0.17 0.97 97.93 0.47 0.00 0.00 0.00 29 E H H 97.71 2.49 15.53 18.30 92.02 50.39 -64.77 -40.89 2.67 0.01 97.32 0.56 0.20 1.53 97.17 0.54 0.00 0.00 0.00 30 E H H 103.11 2.15 15.49 17.69 91.92 50.24 -64.81 -40.01 2.78 0.00 97.21 0.55 0.21 1.63 97.09 0.52 0.00 0.00 0.00 31 R H H 134.80 1.84 15.59 17.16 91.86 51.09 -64.75 -41.09 1.35 0.00 98.64 0.24 0.11 0.79 98.50 0.36 0.00 0.00 0.00 32 Y H H 126.46 2.02 15.14 17.04 91.91 50.07 -64.44 -41.56 1.19 0.00 98.81 0.20 0.08 0.76 98.57 0.38 0.00 0.00 0.00 33 F H H 118.44 1.84 15.24 16.82 91.95 49.69 -65.12 -41.40 0.66 0.00 99.34 0.12 0.05 0.39 99.20 0.23 0.00 0.00 0.00 34 R H H 134.68 1.60 15.54 16.56 91.79 50.00 -64.73 -41.29 0.46 0.00 99.54 0.08 0.04 0.26 99.51 0.11 0.00 0.00 0.00 35 A H H 56.86 2.08 15.40 17.49 91.84 50.09 -64.23 -41.22 0.45 0.00 99.55 0.06 0.03 0.26 99.57 0.08 0.00 0.00 0.00 36 Q H H 96.17 2.12 15.11 17.25 91.84 50.47 -64.48 -40.91 0.44 0.00 99.56 0.06 0.03 0.24 99.61 0.06 0.00 0.00 0.00 37 S H H 58.70 2.17 15.12 17.44 91.87 50.73 -64.45 -41.20 0.38 0.00 99.62 0.06 0.02 0.19 99.68 0.04 0.00 0.00 0.00 38 R H H 145.31 1.40 15.46 16.13 91.83 50.15 -65.13 -40.49 0.23 0.00 99.77 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 39 E H H 111.51 1.66 15.33 16.52 91.90 50.43 -65.09 -40.85 0.17 0.00 99.83 0.03 0.01 0.09 99.85 0.03 0.00 0.00 0.00 40 Q H H 106.00 1.71 15.29 16.62 91.76 50.01 -64.65 -41.21 0.19 0.00 99.81 0.02 0.01 0.10 99.83 0.03 0.00 0.00 0.00 41 L H H 92.48 1.80 15.22 16.73 91.87 49.97 -64.48 -41.03 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.03 0.00 0.00 0.00 42 A H H 54.13 2.03 15.22 17.33 91.50 50.78 -63.57 -41.19 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 43 A H H 56.25 2.09 15.19 17.35 91.65 50.81 -63.67 -40.75 0.64 0.00 99.36 0.05 0.02 0.43 99.41 0.08 0.00 0.00 0.00 44 L H H 93.75 1.83 14.80 16.44 91.73 50.40 -64.56 -40.58 0.92 0.00 99.08 0.13 0.05 0.56 99.06 0.19 0.00 0.00 0.00 45 K H H 121.76 1.54 14.97 16.05 91.77 50.76 -64.89 -40.60 1.25 0.00 98.75 0.22 0.08 0.74 98.68 0.28 0.00 0.00 0.00 46 K H H 122.76 1.41 15.28 15.90 91.86 50.16 -65.19 -40.58 2.44 0.00 97.56 0.39 0.18 1.56 97.49 0.38 0.00 0.00 0.00 47 H H H 110.15 1.72 14.82 16.23 91.93 50.10 -64.56 -41.03 2.77 0.01 97.23 0.66 0.26 1.51 97.20 0.37 0.00 0.00 0.00 48 H H H 110.27 1.84 14.62 16.34 91.83 50.41 -64.50 -40.94 1.59 0.00 98.40 0.44 0.15 0.76 98.39 0.26 0.00 0.00 0.00 49 E H H 112.11 1.60 15.24 16.31 91.62 50.45 -64.64 -40.71 0.99 0.00 99.01 0.20 0.08 0.52 99.00 0.20 0.00 0.00 0.00 50 E H H 109.15 1.57 15.35 16.30 91.72 49.75 -65.23 -40.77 0.98 0.00 99.02 0.17 0.07 0.55 99.00 0.20 0.00 0.00 0.00 51 E H H 104.15 1.92 15.05 16.83 91.77 50.55 -65.02 -41.00 1.37 0.00 98.63 0.22 0.10 0.82 98.62 0.24 0.00 0.00 0.00 52 I H H 91.15 1.94 14.91 16.77 91.99 49.82 -64.90 -41.60 2.07 0.00 97.93 0.36 0.15 1.25 97.86 0.38 0.00 0.00 0.00 53 V H H 82.72 1.64 15.48 16.50 91.59 50.05 -64.15 -41.71 1.88 0.00 98.12 0.38 0.14 1.04 98.09 0.35 0.00 0.00 0.00 54 H H H 105.12 1.85 15.06 16.69 91.69 49.96 -64.52 -41.13 1.33 0.00 98.67 0.24 0.10 0.75 98.68 0.23 0.00 0.00 0.00 55 H H H 108.08 1.94 14.80 16.71 91.85 50.02 -64.78 -40.81 0.97 0.00 99.03 0.19 0.08 0.53 99.04 0.16 0.00 0.00 0.00 56 K H H 121.76 1.56 15.37 16.38 91.84 50.29 -64.79 -40.47 0.47 0.00 99.53 0.08 0.04 0.25 99.54 0.09 0.00 0.00 0.00 57 K H H 117.50 1.55 15.51 16.39 91.80 49.85 -64.85 -40.94 0.36 0.00 99.64 0.05 0.02 0.20 99.66 0.07 0.00 0.00 0.00 58 E H H 101.47 2.07 15.08 17.15 91.71 50.41 -64.48 -41.22 0.40 0.00 99.60 0.05 0.02 0.23 99.63 0.06 0.00 0.00 0.00 59 I H H 92.52 1.87 14.94 16.66 91.90 49.70 -64.39 -41.39 0.41 0.00 99.59 0.06 0.02 0.22 99.64 0.06 0.00 0.00 0.00 60 E H H 106.96 1.54 15.56 16.38 91.48 50.30 -64.20 -41.04 0.39 0.00 99.61 0.06 0.02 0.20 99.67 0.05 0.00 0.00 0.00 61 R H H 130.60 1.72 15.16 16.51 91.67 49.86 -64.52 -41.27 0.42 0.00 99.58 0.05 0.02 0.24 99.63 0.05 0.00 0.00 0.00 62 L H H 91.27 2.01 14.67 16.74 91.61 49.90 -64.58 -40.63 0.36 0.00 99.64 0.05 0.02 0.20 99.67 0.06 0.00 0.00 0.00 63 Q H H 102.97 1.66 15.35 16.51 91.63 50.43 -64.51 -40.73 0.25 0.00 99.75 0.04 0.01 0.13 99.78 0.04 0.00 0.00 0.00 64 K H H 117.41 1.50 15.58 16.29 91.82 49.92 -64.77 -40.98 0.24 0.00 99.76 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 65 E H H 98.50 2.08 15.06 17.17 91.60 50.44 -64.08 -41.26 0.28 0.00 99.72 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 66 I H H 90.68 2.00 14.73 16.75 91.69 49.60 -64.26 -41.60 0.31 0.00 99.69 0.04 0.02 0.17 99.73 0.04 0.00 0.00 0.00 67 E H H 108.05 1.55 15.35 16.26 91.48 50.39 -64.12 -41.33 0.42 0.00 99.58 0.06 0.02 0.23 99.62 0.06 0.00 0.00 0.00 68 R H H 132.33 1.55 15.09 16.04 91.64 50.04 -64.34 -41.42 0.64 0.00 99.35 0.07 0.03 0.41 99.36 0.12 0.00 0.00 0.00 69 H H H 106.55 1.86 14.57 16.34 91.66 49.60 -64.83 -40.77 0.87 0.00 99.13 0.12 0.05 0.54 99.12 0.17 0.00 0.00 0.00 70 K H H 116.11 1.74 14.85 16.34 91.64 50.50 -64.57 -40.42 0.73 0.00 99.27 0.11 0.05 0.42 99.27 0.14 0.00 0.00 0.00 71 Q H H 99.00 1.64 14.65 15.95 91.62 50.49 -64.55 -40.93 0.85 0.00 99.15 0.13 0.06 0.50 99.08 0.23 0.00 0.00 0.00 72 K H H 116.91 1.62 14.56 15.83 91.85 50.26 -64.54 -40.76 1.08 0.00 98.92 0.17 0.07 0.65 98.78 0.32 0.00 0.00 0.00 73 I H H 94.25 1.68 13.44 15.12 91.71 49.93 -64.79 -41.05 1.36 0.00 98.64 0.28 0.11 0.77 98.32 0.51 0.00 0.00 0.00 74 K H H 119.40 1.39 13.27 14.34 91.85 50.84 -64.48 -40.35 2.63 0.00 97.36 0.49 0.22 1.63 96.64 1.01 0.00 0.00 0.00 75 M H H 108.63 1.48 12.08 13.66 92.07 50.82 -65.24 -39.77 7.13 0.01 92.86 1.01 0.59 5.04 91.62 1.72 0.00 0.00 0.01 76 L H H 106.54 1.35 10.80 12.42 92.58 51.25 -66.82 -37.45 12.77 0.05 87.18 3.56 1.74 7.25 85.00 2.41 0.01 0.02 0.03 77 K H H 145.63 1.09 10.22 11.49 93.88 52.69 -70.16 -30.67 27.02 0.20 72.78 10.93 4.06 12.22 69.83 2.76 0.01 0.07 0.12 78 H H H 144.08 1.29 8.64 10.70 97.99 55.27 -77.34 -21.39 48.31 0.30 51.40 21.30 6.30 20.67 48.40 3.02 0.01 0.10 0.20 79 D C C 114.91 1.38 7.93 10.37 100.66 63.21 -83.68 6.19 73.81 0.17 26.02 50.18 1.72 20.06 26.29 1.57 0.00 0.06 0.12 80 D C C 113.64 1.80 9.90 12.89 103.05 87.95 -81.89 35.29 99.93 0.01 0.06 99.79 0.07 0.10 0.03 0.00 0.00 0.00 0.00