# 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 118.18 5.23 11.12 18.05 115.30 -164.85 -93.31 133.48 99.91 0.08 0.01 99.84 0.08 0.03 0.00 0.00 0.00 0.03 0.01 1 S C C 77.28 3.62 9.60 15.08 115.53 -139.99 -89.35 141.97 94.83 2.82 2.35 89.55 1.29 4.57 0.84 0.96 0.00 1.64 1.15 2 N C C 123.80 2.38 9.31 13.35 106.88 -145.39 -91.32 46.18 92.96 4.07 2.97 63.96 17.30 11.71 0.86 2.09 0.00 2.43 1.65 3 T C C 101.80 2.55 9.06 13.41 109.98 98.45 -94.10 109.66 92.42 4.42 3.17 56.68 25.30 10.58 0.95 2.17 0.00 2.40 1.91 4 A C C 71.60 4.44 8.94 15.21 116.09 -150.20 -91.66 138.98 94.47 3.43 2.10 61.81 28.60 4.29 1.00 1.04 0.00 1.67 1.60 5 P C C 102.00 3.15 10.66 15.33 111.14 -111.95 -75.51 141.55 95.27 1.43 3.29 67.92 19.08 8.35 1.81 1.38 0.00 0.71 0.74 6 G C C 42.48 4.65 10.55 16.70 121.09 -142.40 -107.07 174.00 90.11 1.54 8.35 56.69 27.14 5.97 6.80 1.76 0.00 0.55 1.08 7 P C C 92.44 3.44 11.57 16.27 104.00 -64.46 -71.62 90.79 73.96 0.99 25.05 50.46 13.64 8.98 22.86 3.11 0.00 0.43 0.52 8 T C C 87.09 3.37 11.62 16.29 102.97 -100.59 -76.80 -21.11 56.78 1.23 41.99 41.97 6.80 7.64 39.16 3.33 0.00 0.63 0.48 9 V H H 86.25 3.79 11.68 16.82 100.09 59.77 -73.07 -34.03 35.53 1.12 63.35 25.55 5.77 5.79 58.49 3.44 0.01 0.58 0.36 10 A H H 58.89 4.49 12.13 18.13 97.67 56.36 -67.84 -37.93 23.68 0.67 75.65 16.61 4.01 4.46 71.25 3.10 0.01 0.37 0.19 11 N H H 91.33 3.38 13.44 17.71 96.24 52.05 -70.54 -35.48 21.32 0.47 78.21 15.11 3.19 4.34 74.27 2.68 0.00 0.26 0.14 12 K H H 120.99 2.60 14.07 17.21 94.02 53.47 -66.39 -39.27 11.09 0.22 88.69 6.84 1.96 3.21 85.54 2.26 0.00 0.11 0.07 13 R H H 123.70 4.02 14.83 19.83 93.27 51.11 -66.54 -39.76 9.10 0.16 90.75 5.15 1.53 3.06 88.31 1.81 0.00 0.08 0.05 14 D H H 65.08 5.59 14.49 21.55 93.14 51.43 -66.18 -39.61 10.13 0.15 89.72 6.02 1.54 3.24 87.51 1.56 0.00 0.07 0.06 15 E H H 103.58 2.75 16.94 19.81 92.59 51.14 -65.42 -40.64 7.63 0.08 92.28 4.37 1.12 2.48 90.91 1.05 0.00 0.03 0.04 16 K H H 103.03 4.02 17.23 21.81 92.47 50.54 -65.42 -41.10 5.64 0.05 94.31 2.90 0.75 2.01 93.54 0.76 0.00 0.02 0.03 17 H H H 74.20 10.19 16.10 27.06 92.54 50.65 -64.88 -41.10 4.00 0.04 95.96 1.96 0.50 1.53 95.36 0.61 0.00 0.02 0.02 18 R H H 118.50 6.13 18.17 25.02 92.20 51.13 -64.34 -40.95 2.80 0.03 97.17 1.17 0.33 1.21 96.80 0.45 0.00 0.01 0.01 19 H H H 107.91 2.67 20.26 22.25 92.26 50.11 -65.21 -40.94 2.82 0.03 97.15 1.04 0.31 1.36 96.86 0.40 0.00 0.01 0.01 20 V H H 52.46 8.20 18.21 27.57 92.24 49.93 -64.50 -42.58 2.01 0.02 97.97 0.73 0.21 0.95 97.79 0.30 0.00 0.01 0.01 21 V H H 40.62 12.28 16.46 29.48 92.13 50.06 -64.05 -41.68 1.22 0.01 98.77 0.38 0.12 0.62 98.60 0.27 0.00 0.01 0.00 22 N H H 75.65 4.75 19.15 24.47 91.81 51.59 -64.04 -40.23 1.38 0.01 98.61 0.32 0.14 0.81 98.17 0.54 0.00 0.00 0.00 23 V H H 76.87 4.43 19.20 23.95 92.74 49.82 -66.50 -40.32 2.16 0.01 97.82 0.32 0.18 1.52 96.75 1.22 0.00 0.01 0.00 24 V H H 46.72 12.75 15.95 29.01 93.29 47.94 -68.18 -39.09 3.69 0.02 96.29 0.34 0.28 2.91 94.39 2.04 0.01 0.01 0.01 25 L H H 68.73 10.95 15.66 27.08 94.09 53.56 -73.76 -22.47 27.85 0.07 72.08 1.26 1.33 25.01 69.63 2.67 0.03 0.02 0.05 26 E C T 137.23 2.62 19.71 22.26 97.99 56.70 -81.99 16.45 70.03 0.10 29.87 4.81 3.03 60.93 28.38 2.72 0.00 0.04 0.08 27 L C C 43.80 15.73 9.81 25.33 113.65 136.28 -76.93 135.32 94.15 0.29 5.56 48.90 42.77 2.11 5.26 0.59 0.00 0.06 0.31 28 P C C 66.81 5.14 15.32 21.76 113.55 -109.20 -67.91 149.28 87.71 0.14 12.15 86.79 1.25 1.82 8.28 1.72 0.00 0.05 0.09 29 T H G 93.07 4.45 13.03 19.10 95.25 -112.34 -63.26 -33.80 29.94 0.34 69.71 8.83 4.51 15.35 32.43 38.53 0.01 0.18 0.17 30 E H G 124.42 2.66 14.80 17.99 95.36 58.88 -69.47 -27.60 25.18 0.57 74.24 6.55 3.53 13.39 35.70 40.27 0.03 0.33 0.20 31 I H G 65.41 9.95 11.62 22.61 96.32 54.88 -73.48 -22.55 21.45 0.88 77.67 8.84 4.00 8.15 38.43 39.79 0.02 0.52 0.25 32 S H H 48.16 9.73 11.15 21.89 99.71 64.22 -78.88 -9.53 43.71 1.55 54.74 24.05 8.30 11.99 35.20 18.87 0.04 0.76 0.78 33 E C C 124.51 3.44 13.59 18.19 100.94 70.87 -81.14 -13.09 58.35 1.18 40.47 28.10 11.28 19.94 27.00 12.37 0.02 0.50 0.79 34 A C T 77.41 3.19 12.86 17.17 100.35 49.16 -78.14 -17.42 73.76 0.50 25.73 24.77 14.40 35.38 16.84 8.03 0.01 0.19 0.39 35 T C C 81.78 5.92 12.75 19.89 103.56 37.40 -92.90 15.16 81.06 0.72 18.22 34.93 16.29 30.62 11.38 5.95 0.00 0.27 0.55 36 H C C 74.77 10.28 11.18 22.45 108.03 57.60 -97.48 95.16 95.73 0.50 3.77 83.01 11.31 0.88 3.96 0.33 0.00 0.14 0.36 37 P H H 88.17 3.27 16.01 20.14 93.82 -161.80 -61.87 -34.63 16.24 0.10 83.66 7.53 2.15 6.34 82.61 1.28 0.00 0.04 0.05 38 V H H 75.07 5.61 17.91 24.32 92.86 53.19 -65.78 -40.32 5.65 0.09 94.26 1.71 0.72 3.17 93.15 1.16 0.01 0.05 0.03 39 L H H 27.28 16.50 15.16 31.83 92.53 49.26 -65.82 -41.38 1.27 0.02 98.71 0.43 0.13 0.61 97.98 0.82 0.00 0.01 0.00 40 A H H 38.65 9.79 17.53 28.40 91.81 51.97 -63.30 -40.74 0.66 0.00 99.34 0.18 0.06 0.33 98.81 0.61 0.00 0.00 0.00 41 T H H 74.89 2.58 22.43 23.86 92.05 49.97 -64.99 -41.40 1.03 0.01 98.96 0.19 0.08 0.67 98.63 0.42 0.00 0.00 0.00 42 M H H 51.47 10.94 19.36 31.07 92.06 49.28 -65.09 -41.96 0.95 0.00 99.05 0.14 0.07 0.64 98.92 0.22 0.00 0.00 0.00 43 L H H 24.10 18.06 16.28 34.33 91.99 50.84 -64.06 -42.21 0.81 0.00 99.19 0.16 0.06 0.47 99.12 0.18 0.00 0.00 0.00 44 S H H 52.78 5.11 20.60 26.19 91.56 51.76 -63.22 -40.78 1.53 0.00 98.47 0.25 0.10 0.98 98.38 0.28 0.00 0.00 0.00 45 K H H 106.70 3.46 21.33 24.47 92.09 50.31 -65.28 -40.92 1.99 0.01 98.00 0.25 0.17 1.44 97.51 0.62 0.00 0.00 0.00 46 Y H H 48.90 13.60 16.33 30.62 92.58 49.47 -65.72 -41.25 2.10 0.01 97.88 0.35 0.20 1.42 97.08 0.93 0.00 0.01 0.00 47 T H H 44.93 11.26 15.65 27.73 92.43 50.35 -65.79 -38.91 5.21 0.05 94.75 0.95 0.54 3.57 93.65 1.25 0.01 0.02 0.02 48 R H H 156.27 1.96 17.99 19.57 92.83 52.73 -68.66 -31.05 15.03 0.10 84.88 2.17 1.57 11.05 83.56 1.52 0.03 0.04 0.05 49 M H H 99.87 5.08 14.59 20.74 97.56 52.86 -80.46 -15.60 36.54 0.42 63.05 8.88 6.83 21.64 60.15 2.03 0.06 0.15 0.26 50 S C C 50.31 10.30 10.85 21.76 103.16 76.19 -80.42 12.56 67.64 0.98 31.38 32.29 10.13 25.69 26.44 4.43 0.02 0.38 0.62 51 S C T 73.93 3.86 13.29 18.33 99.21 106.82 -74.93 -10.35 74.24 1.03 24.73 28.40 16.83 29.78 15.48 8.34 0.02 0.41 0.73 52 L C T 112.16 3.78 12.75 17.78 98.36 57.35 -80.65 -7.48 73.82 1.13 25.04 25.45 22.22 27.18 14.16 9.70 0.02 0.46 0.82 53 F C C 107.71 8.37 10.28 19.74 108.80 81.05 -90.57 96.97 73.44 2.13 24.44 44.43 14.66 14.41 15.49 8.73 0.01 0.94 1.33 54 N C C 119.63 2.50 14.02 17.39 100.14 170.87 -82.65 -12.78 74.00 1.48 24.52 33.53 26.25 14.83 17.95 5.93 0.01 0.59 0.90 55 D C C 75.14 5.87 14.15 21.39 109.19 63.94 -104.48 94.92 75.22 1.00 23.78 52.91 11.97 9.75 20.29 4.08 0.00 0.41 0.59 56 K H H 97.88 11.36 13.70 25.58 94.75 -170.25 -65.92 -32.38 12.31 0.08 87.60 5.71 2.31 4.53 85.81 1.56 0.00 0.03 0.05 57 C H H 70.83 4.42 18.85 23.59 92.36 57.50 -64.60 -40.10 4.59 0.02 95.39 1.08 0.57 2.75 94.56 1.02 0.00 0.01 0.01 58 A H H 36.58 6.41 18.71 26.55 91.65 51.29 -64.19 -41.49 1.57 0.01 98.43 0.47 0.16 0.84 97.85 0.67 0.00 0.00 0.00 59 F H H 34.01 15.42 16.74 32.65 91.76 51.04 -64.08 -42.52 0.45 0.00 99.55 0.15 0.04 0.21 99.39 0.21 0.00 0.00 0.00 60 K H H 80.24 11.44 20.62 31.91 91.80 51.37 -63.08 -41.99 0.29 0.00 99.71 0.08 0.02 0.15 99.69 0.07 0.00 0.00 0.00 61 L H H 75.52 5.15 22.61 27.78 91.65 49.97 -64.10 -42.24 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.02 0.00 0.00 0.00 62 D H H 47.69 9.63 21.54 31.79 91.79 50.22 -64.56 -41.62 0.11 0.00 99.89 0.02 0.00 0.06 99.91 0.01 0.00 0.00 0.00 63 L H H 27.90 16.58 19.03 35.57 91.76 50.49 -63.98 -42.58 0.08 0.00 99.92 0.01 0.00 0.05 99.94 0.01 0.00 0.00 0.00 64 L H H 68.65 8.65 21.47 30.50 91.57 50.74 -63.56 -41.80 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 65 R H H 118.15 4.85 22.87 27.57 91.94 49.92 -64.73 -41.67 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 66 M H H 49.36 11.79 19.73 32.07 92.16 49.54 -65.07 -41.86 0.16 0.00 99.84 0.02 0.00 0.11 99.84 0.03 0.00 0.00 0.00 67 V H H 38.00 12.17 18.89 31.77 91.76 50.11 -63.91 -41.79 0.33 0.00 99.67 0.04 0.02 0.22 99.65 0.07 0.00 0.00 0.00 68 A H H 47.66 4.59 19.54 24.71 91.65 50.76 -63.76 -41.35 1.16 0.00 98.84 0.14 0.07 0.80 98.75 0.23 0.00 0.00 0.00 69 V H H 66.35 4.67 18.23 23.66 92.24 49.38 -65.60 -40.99 3.40 0.01 96.58 0.45 0.27 2.42 96.29 0.55 0.00 0.01 0.00 70 S H H 31.90 10.34 13.53 25.38 92.56 51.94 -66.90 -36.53 9.93 0.05 90.03 1.77 1.03 6.73 89.34 1.07 0.01 0.02 0.02 71 R H H 129.66 5.39 14.09 20.77 93.55 54.47 -69.15 -31.06 24.68 0.14 75.18 4.08 3.10 17.32 73.53 1.80 0.03 0.05 0.09 72 T H H 97.39 2.15 12.66 15.42 97.62 54.92 -82.50 -13.50 43.33 0.40 56.26 11.31 7.45 25.12 53.72 1.98 0.04 0.14 0.26 73 R C C 145.19 4.43 9.22 15.43 104.98 84.42 -81.81 69.52 77.88 0.61 21.52 60.46 2.15 13.37 22.00 1.41 0.00 0.24 0.38 74 R C C 168.70 2.81 11.90 16.33 107.48 -160.41 -85.64 95.44 99.92 0.04 0.05 99.78 0.08 0.08 0.03 0.00 0.00 0.01 0.01