# 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 99.05 7.69 14.89 23.52 116.55 -137.98 -90.37 138.94 99.96 0.03 0.01 99.88 0.07 0.03 0.00 0.00 0.00 0.01 0.00 1 A C C 49.13 10.39 10.26 21.45 111.49 -108.82 -71.11 140.07 96.79 0.67 2.54 89.87 0.85 6.78 1.09 0.72 0.00 0.30 0.39 2 N C C 119.67 2.73 12.78 16.81 99.77 -166.85 -89.13 -2.04 96.93 0.55 2.52 60.06 24.51 12.39 1.06 1.31 0.00 0.19 0.47 3 T C S 62.46 4.55 11.16 17.62 120.84 84.46 -99.35 149.54 96.31 0.41 3.28 29.71 65.03 1.34 3.14 0.31 0.00 0.08 0.39 4 P H H 99.08 2.25 12.63 15.99 92.66 -118.14 -59.17 -37.21 17.87 0.06 82.07 3.26 2.77 11.69 78.73 3.46 0.02 0.02 0.04 5 S H H 67.43 2.10 14.42 16.79 92.37 53.67 -66.00 -38.04 15.56 0.06 84.38 3.00 1.80 10.44 80.95 3.75 0.02 0.02 0.03 6 A H H 27.58 8.35 11.56 22.12 92.47 52.57 -65.00 -39.68 6.34 0.05 93.61 3.20 0.98 2.42 90.29 3.06 0.00 0.03 0.02 7 K H H 108.12 4.82 15.44 21.41 91.96 52.39 -63.79 -41.20 2.42 0.02 97.56 1.18 0.33 0.87 96.93 0.67 0.00 0.01 0.01 8 K H H 124.22 1.74 18.42 19.13 92.25 50.18 -65.00 -41.18 1.48 0.01 98.52 0.58 0.17 0.60 98.35 0.30 0.00 0.00 0.00 9 R H H 123.10 4.00 17.99 22.63 92.13 49.74 -65.43 -40.48 0.98 0.00 99.02 0.33 0.10 0.42 98.99 0.17 0.00 0.00 0.00 10 A H H 31.28 9.83 14.90 26.27 92.23 51.28 -64.33 -41.06 0.79 0.00 99.20 0.21 0.06 0.35 99.25 0.11 0.00 0.00 0.00 11 K H H 113.45 2.69 20.08 22.31 91.73 50.22 -64.40 -41.30 0.88 0.00 99.12 0.20 0.07 0.42 99.20 0.10 0.00 0.00 0.00 12 Q H H 90.98 2.94 19.91 22.41 92.16 49.32 -65.09 -40.88 0.97 0.00 99.03 0.21 0.08 0.49 99.13 0.09 0.00 0.00 0.00 13 A H H 28.38 9.33 15.67 26.91 92.09 51.08 -64.62 -40.78 1.26 0.00 98.73 0.30 0.10 0.62 98.87 0.11 0.00 0.00 0.00 14 E H H 92.37 5.15 18.36 24.15 91.91 50.96 -64.64 -40.85 1.33 0.00 98.67 0.33 0.12 0.66 98.78 0.12 0.00 0.00 0.00 15 K H H 122.90 1.84 20.26 20.79 91.82 49.59 -64.61 -41.20 1.42 0.00 98.57 0.34 0.13 0.72 98.69 0.12 0.00 0.00 0.00 16 R H H 104.66 7.44 17.71 26.04 92.17 50.05 -65.15 -40.91 1.33 0.00 98.66 0.33 0.12 0.67 98.73 0.15 0.00 0.00 0.00 17 R H H 103.75 9.60 17.14 27.32 92.00 51.40 -64.11 -40.72 1.31 0.00 98.69 0.30 0.12 0.69 98.71 0.18 0.00 0.00 0.00 18 S H H 66.01 2.26 21.43 22.40 92.03 49.91 -64.96 -40.93 1.74 0.00 98.26 0.33 0.16 1.02 98.27 0.22 0.00 0.00 0.00 19 H H H 97.08 4.22 20.41 24.77 92.10 49.31 -65.19 -41.32 2.63 0.00 97.37 0.43 0.25 1.66 97.40 0.25 0.00 0.00 0.00 20 N H H 31.85 15.58 15.87 31.65 92.47 50.43 -65.42 -40.24 3.16 0.00 96.83 0.63 0.32 1.89 96.92 0.24 0.00 0.00 0.00 21 A H H 51.19 5.86 20.32 26.79 91.71 52.22 -63.66 -41.20 1.13 0.00 98.87 0.30 0.12 0.56 98.88 0.13 0.00 0.00 0.00 22 S H H 62.68 2.14 23.13 23.53 91.93 50.08 -64.64 -41.11 0.93 0.00 99.07 0.21 0.08 0.51 99.05 0.14 0.00 0.00 0.00 23 L H H 36.29 14.27 18.74 33.29 91.80 49.38 -64.96 -42.23 0.75 0.00 99.25 0.14 0.06 0.45 99.22 0.12 0.00 0.00 0.00 24 R H H 71.46 16.15 18.24 33.57 91.35 52.17 -62.31 -41.93 0.50 0.00 99.50 0.12 0.04 0.27 99.50 0.07 0.00 0.00 0.00 25 S H H 62.33 2.32 23.89 24.67 91.40 50.40 -63.91 -40.69 0.52 0.00 99.48 0.11 0.04 0.28 99.51 0.05 0.00 0.00 0.00 26 M H H 82.47 5.59 22.72 28.60 91.57 49.80 -64.89 -41.33 0.46 0.00 99.54 0.04 0.02 0.28 99.60 0.05 0.00 0.00 0.00 27 V H H 7.27 22.95 15.87 38.96 91.78 50.23 -64.21 -42.92 0.30 0.00 99.70 0.03 0.01 0.16 99.76 0.03 0.00 0.00 0.00 28 R H H 109.26 9.39 21.86 31.47 91.31 51.69 -62.40 -41.53 0.21 0.00 99.79 0.03 0.01 0.10 99.84 0.02 0.00 0.00 0.00 29 T H H 74.58 2.13 24.81 25.02 91.68 49.50 -64.25 -42.04 0.23 0.00 99.77 0.03 0.01 0.15 99.79 0.03 0.00 0.00 0.00 30 Y H H 40.71 15.20 20.47 35.70 92.06 49.40 -65.25 -42.34 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 31 I H H 14.89 21.91 18.34 39.81 91.45 51.33 -63.02 -43.11 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 32 K H H 114.31 3.46 24.98 28.35 91.33 51.08 -63.34 -41.14 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 33 N H H 74.73 5.44 24.69 30.28 91.81 49.51 -65.41 -40.74 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 34 V H H 4.22 24.13 17.71 42.07 91.53 50.19 -64.39 -43.59 0.09 0.00 99.91 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 35 V H H 41.99 13.79 22.22 35.76 91.36 50.23 -63.03 -42.53 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 36 K H H 115.64 1.97 25.65 25.76 91.71 50.08 -64.08 -41.75 0.29 0.00 99.71 0.01 0.01 0.22 99.69 0.07 0.00 0.00 0.00 37 A H H 13.37 11.55 17.49 31.16 91.54 50.36 -64.16 -41.68 0.67 0.00 99.33 0.06 0.04 0.46 99.22 0.22 0.00 0.00 0.00 38 I H H 22.44 19.40 14.02 33.14 92.10 50.22 -64.74 -41.97 1.61 0.00 98.39 0.15 0.10 1.20 97.96 0.58 0.00 0.00 0.00 39 D H H 105.41 2.90 18.57 22.30 90.91 51.93 -65.42 -31.51 6.29 0.00 93.71 0.19 0.27 5.67 93.40 0.47 0.00 0.00 0.00 40 A C T 72.26 2.23 16.82 18.87 92.83 51.31 -86.93 -3.76 80.38 0.01 19.61 0.61 2.29 75.72 20.77 0.61 0.00 0.00 0.01 41 K C T 138.06 6.34 14.23 22.31 93.03 -119.25 64.13 30.85 99.50 0.01 0.50 2.93 2.89 93.78 0.34 0.06 0.00 0.00 0.00 42 D C C 67.35 5.34 16.88 23.76 105.56 146.75 -97.45 89.30 99.41 0.12 0.47 98.88 0.48 0.21 0.27 0.05 0.00 0.03 0.09 43 L H H 64.80 15.23 12.88 28.02 94.23 174.97 -65.13 -35.48 3.49 0.00 96.50 1.40 0.47 1.36 96.23 0.53 0.00 0.00 0.00 44 E H H 139.22 1.35 22.11 22.00 91.67 53.77 -64.14 -41.39 1.31 0.00 98.68 0.17 0.11 0.87 98.28 0.57 0.00 0.00 0.00 45 K H H 99.64 4.80 21.52 26.55 91.95 47.38 -66.39 -39.64 0.58 0.00 99.42 0.10 0.04 0.35 98.97 0.54 0.00 0.00 0.00 46 A H H 4.21 22.71 13.06 36.05 91.45 51.78 -63.90 -42.68 0.33 0.00 99.67 0.06 0.02 0.17 99.56 0.19 0.00 0.00 0.00 47 Q H H 81.43 10.13 22.78 32.79 91.61 51.65 -63.00 -42.02 0.25 0.00 99.75 0.03 0.01 0.14 99.75 0.07 0.00 0.00 0.00 48 A H H 59.65 2.11 26.09 26.28 91.34 50.42 -63.68 -42.34 0.34 0.00 99.66 0.02 0.01 0.23 99.65 0.08 0.00 0.00 0.00 49 A H H 14.27 15.57 20.22 36.32 91.60 50.12 -64.43 -41.82 0.40 0.00 99.60 0.03 0.01 0.27 99.59 0.09 0.00 0.00 0.00 50 F H H 15.28 23.38 18.00 40.81 91.51 51.39 -62.69 -42.56 0.26 0.00 99.74 0.02 0.01 0.17 99.66 0.14 0.00 0.00 0.00 51 T H H 83.07 4.04 25.24 29.73 91.67 50.79 -64.41 -39.55 0.66 0.00 99.34 0.01 0.01 0.58 99.21 0.19 0.00 0.00 0.00 52 A H H 57.85 4.65 25.21 29.81 91.94 49.63 -67.34 -37.11 6.47 0.00 93.53 0.04 0.08 6.85 92.67 0.36 0.00 0.00 0.00 53 A H H 3.44 23.85 17.21 41.18 92.87 49.72 -71.63 -35.55 4.72 0.00 95.28 0.06 0.13 4.59 95.00 0.22 0.00 0.00 0.00 54 V H H 35.34 17.67 20.84 37.48 91.86 58.87 -61.30 -44.08 0.35 0.00 99.65 0.04 0.02 0.20 99.62 0.13 0.00 0.00 0.00 55 P H H 74.98 2.41 26.27 27.24 91.17 50.80 -62.83 -41.27 0.13 0.00 99.87 0.01 0.00 0.08 99.79 0.11 0.00 0.00 0.00 56 V H H 35.48 11.79 22.73 35.05 91.72 49.20 -64.70 -42.36 0.05 0.00 99.95 0.00 0.00 0.03 99.88 0.09 0.00 0.00 0.00 57 I H H 4.62 24.94 17.29 42.44 91.37 49.34 -63.79 -43.16 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 58 D H H 64.05 8.27 22.86 31.43 91.35 50.98 -62.86 -41.59 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 59 R H H 125.19 2.55 24.20 25.59 91.90 49.76 -64.78 -41.37 0.38 0.00 99.62 0.01 0.01 0.29 99.63 0.05 0.00 0.00 0.00 60 M H H 20.85 14.30 17.00 32.59 92.12 49.70 -65.42 -41.36 0.76 0.00 99.24 0.07 0.05 0.52 99.20 0.16 0.00 0.00 0.00 61 A H H 23.14 14.84 14.17 29.48 91.87 51.60 -63.58 -41.28 2.15 0.01 97.85 0.23 0.13 1.66 97.35 0.62 0.00 0.00 0.00 62 D H H 115.30 1.44 18.44 19.39 91.12 52.07 -65.74 -29.94 8.03 0.01 91.96 0.23 0.28 7.86 91.02 0.59 0.01 0.00 0.00 63 K C T 123.04 3.47 15.45 19.85 92.82 53.04 -85.46 -2.37 79.88 0.02 20.10 0.24 1.65 77.72 19.63 0.73 0.00 0.00 0.02 64 G C T 52.97 3.44 16.06 20.75 95.27 -112.10 78.73 13.36 99.75 0.01 0.24 0.52 4.22 95.09 0.11 0.04 0.00 0.00 0.00 65 I C S 62.01 10.87 15.82 27.72 95.45 122.22 -78.13 -30.47 99.86 0.11 0.03 4.36 94.85 0.70 0.01 0.01 0.00 0.03 0.04 66 I C S 15.31 20.92 11.00 31.56 131.91 24.60 -136.57 148.14 98.52 1.42 0.05 6.91 91.63 0.36 0.02 0.01 0.00 0.26 0.79 67 H C C 106.30 3.11 21.00 23.38 116.41 -103.96 -70.56 150.45 99.64 0.29 0.06 99.17 0.53 0.03 0.04 0.01 0.00 0.09 0.13 68 K H H 126.25 8.18 13.21 22.93 91.66 -113.13 -57.74 -38.42 11.88 0.03 88.09 0.94 1.30 9.30 83.66 4.73 0.02 0.01 0.02 69 N H H 118.03 1.04 20.15 19.04 91.68 52.96 -64.76 -38.81 9.37 0.02 90.61 0.62 0.74 7.68 86.14 4.78 0.02 0.01 0.01 70 K H H 82.22 7.71 19.13 27.56 92.52 47.98 -67.47 -39.01 3.88 0.03 96.09 0.89 0.51 2.36 92.16 4.05 0.01 0.01 0.01 71 A H H 5.58 21.20 12.46 33.93 91.41 52.56 -62.99 -42.66 1.67 0.01 98.32 0.45 0.20 0.88 97.55 0.92 0.00 0.00 0.00 72 A H H 53.91 4.64 21.55 26.47 91.54 51.42 -63.35 -41.24 1.02 0.00 98.98 0.24 0.09 0.51 98.74 0.41 0.00 0.00 0.00 73 R H H 139.29 1.77 23.68 23.55 92.03 49.56 -64.61 -41.41 0.89 0.00 99.10 0.17 0.07 0.48 99.00 0.27 0.00 0.00 0.00 74 H H H 37.32 15.91 18.50 34.33 92.11 48.86 -65.41 -41.13 0.90 0.00 99.09 0.16 0.07 0.50 99.07 0.20 0.00 0.00 0.00 75 K H H 63.10 16.86 18.46 34.28 91.49 52.50 -61.93 -42.17 1.16 0.00 98.84 0.22 0.09 0.63 98.89 0.17 0.00 0.00 0.00 76 S H H 67.75 1.99 24.16 24.35 91.61 50.29 -64.21 -40.95 1.71 0.00 98.29 0.29 0.11 0.99 98.41 0.20 0.00 0.00 0.00 77 R H H 117.51 4.54 22.89 27.57 91.71 49.34 -65.70 -41.09 1.54 0.00 98.46 0.24 0.11 0.93 98.49 0.23 0.00 0.00 0.00 78 L H H 9.87 21.85 15.87 37.80 92.03 50.14 -64.71 -42.51 1.09 0.00 98.90 0.21 0.09 0.59 98.88 0.23 0.00 0.00 0.00 79 S H H 44.28 10.00 21.12 31.45 91.51 51.35 -63.09 -41.51 0.91 0.00 99.09 0.18 0.06 0.47 99.14 0.15 0.00 0.00 0.00 80 G H H 38.25 2.25 23.46 24.11 91.79 50.40 -64.20 -41.87 0.75 0.00 99.25 0.11 0.05 0.43 99.29 0.12 0.00 0.00 0.00 81 H H H 74.81 10.00 20.99 31.21 92.11 49.13 -66.00 -41.19 0.54 0.00 99.46 0.08 0.04 0.30 99.47 0.12 0.00 0.00 0.00 82 I H H 22.75 19.20 16.05 35.28 92.06 50.29 -63.91 -42.94 0.38 0.00 99.62 0.06 0.03 0.21 99.58 0.12 0.00 0.00 0.00 83 K H H 120.75 3.53 21.92 25.80 91.58 50.66 -63.05 -41.21 0.53 0.00 99.47 0.08 0.04 0.32 99.37 0.20 0.00 0.00 0.00 84 A H H 58.43 2.67 20.90 22.81 92.13 50.42 -64.47 -41.05 1.46 0.00 98.53 0.19 0.10 0.99 98.39 0.33 0.00 0.00 0.00 85 L H H 39.91 12.36 15.53 28.97 92.38 49.68 -66.10 -40.10 2.78 0.01 97.21 0.48 0.28 1.76 96.96 0.51 0.00 0.00 0.00 86 S H H 42.52 10.06 15.03 26.01 92.80 52.09 -65.44 -38.69 7.96 0.03 92.00 2.14 0.99 4.44 91.40 1.00 0.00 0.01 0.02 87 T H H 96.55 1.72 16.09 17.48 93.74 51.86 -68.11 -35.49 17.81 0.11 82.08 4.97 2.28 10.30 80.41 1.92 0.01 0.04 0.06 88 A H H 76.74 2.71 13.01 16.75 94.92 54.30 -71.24 -26.83 30.96 0.23 68.82 9.75 4.09 17.02 66.93 1.98 0.02 0.08 0.13 89 A C H 68.43 5.55 10.37 17.41 97.82 59.46 -79.36 -14.33 58.28 0.26 41.46 33.40 1.26 20.99 42.77 1.31 0.00 0.09 0.17 90 A C C 74.87 4.60 12.08 18.22 101.99 83.17 -75.05 10.22 99.95 0.01 0.04 99.85 0.05 0.07 0.03 0.00 0.00 0.00 0.00