# 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 109.65 5.25 10.42 17.30 117.39 -158.75 -101.88 135.64 99.93 0.05 0.02 99.87 0.07 0.02 0.01 0.00 0.00 0.02 0.01 1 E C C 137.47 1.99 10.25 13.36 111.13 -131.35 -84.87 127.19 85.42 1.76 12.81 84.35 0.77 2.97 7.31 2.90 0.00 0.82 0.87 2 L C G 106.62 4.80 7.44 13.82 99.93 -152.93 -73.15 -25.79 50.29 1.34 48.36 30.49 7.31 12.49 15.86 32.57 0.00 0.76 0.52 3 E H G 137.23 1.97 10.03 13.17 98.12 69.34 -73.98 -22.77 44.18 1.11 54.71 21.72 7.51 15.12 17.53 37.06 0.01 0.62 0.44 4 A H G 75.90 2.39 9.43 13.10 98.59 62.68 -76.87 -19.60 44.59 1.04 54.37 21.65 9.12 14.08 16.29 37.87 0.01 0.56 0.43 5 M C C 112.55 4.70 7.89 14.31 102.20 68.69 -83.06 6.32 70.94 1.37 27.70 44.24 17.81 8.67 12.12 15.75 0.00 0.64 0.77 6 S C C 81.50 2.55 10.14 14.25 109.05 77.27 -85.95 105.09 85.35 2.66 11.98 67.45 11.95 5.94 6.14 5.76 0.00 1.47 1.29 7 R C C 170.40 2.20 9.31 13.11 106.42 66.16 -84.42 66.17 85.65 6.21 8.14 67.58 11.35 6.50 3.97 4.11 0.00 3.81 2.67 8 Y C C 150.06 4.54 7.78 14.09 117.08 72.12 -102.80 129.11 85.63 10.68 3.70 70.22 10.19 4.35 1.88 1.88 0.00 5.91 5.58 9 T C C 106.97 1.80 10.27 13.60 117.56 -161.13 -107.09 131.64 90.02 8.65 1.33 69.14 17.74 3.08 0.58 0.79 0.00 5.71 2.95 10 S C C 70.38 5.95 8.13 15.73 116.96 -128.89 -90.91 139.25 95.41 4.26 0.33 73.88 20.11 1.71 0.10 0.24 0.00 2.84 1.13 11 P C S 111.20 1.88 12.42 15.04 96.49 -139.72 -74.80 -11.48 98.00 1.78 0.23 37.74 57.05 3.47 0.05 0.17 0.00 1.02 0.50 12 V C S 62.20 9.58 7.41 17.97 121.85 80.55 -100.48 145.07 94.89 4.87 0.24 26.29 67.49 0.88 0.10 0.09 0.00 1.36 3.78 13 N C C 98.64 2.36 14.77 17.38 110.36 -103.40 -69.42 134.68 99.71 0.24 0.05 98.38 1.32 0.09 0.02 0.01 0.00 0.10 0.08 14 P H G 95.69 5.32 9.73 17.01 91.78 -129.51 -59.23 -30.01 23.73 0.09 76.18 1.69 1.63 19.07 5.09 72.44 0.00 0.06 0.02 15 A H G 85.07 1.28 13.01 14.32 90.75 64.34 -67.24 -20.87 26.28 0.05 73.67 0.61 1.19 24.63 4.67 68.85 0.00 0.03 0.02 16 V H G 69.04 6.06 11.72 19.58 96.36 49.93 -91.63 -7.88 18.17 0.06 81.77 1.15 1.30 15.25 11.79 70.46 0.00 0.04 0.02 17 F H H 74.03 10.75 10.82 22.81 92.40 90.19 -60.19 -42.94 4.45 0.01 95.54 1.82 0.81 1.59 94.94 0.83 0.00 0.00 0.00 18 P H H 80.67 3.23 15.55 19.23 91.83 50.90 -64.17 -38.63 1.57 0.00 98.42 0.27 0.10 0.98 98.11 0.53 0.00 0.00 0.00 19 H H H 117.80 2.19 16.91 18.73 92.19 50.44 -65.23 -40.90 0.37 0.00 99.62 0.06 0.02 0.23 99.35 0.35 0.00 0.00 0.00 20 L H H 61.50 8.06 15.00 24.34 92.37 49.66 -65.48 -41.35 0.13 0.00 99.87 0.03 0.01 0.07 99.81 0.09 0.00 0.00 0.00 21 T H H 48.56 8.59 15.22 25.06 91.76 50.70 -63.69 -41.59 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.02 0.00 0.00 0.00 22 V H H 85.84 2.45 18.20 20.24 92.06 49.87 -64.53 -42.03 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 23 V H H 77.35 3.80 18.21 22.00 91.99 49.15 -64.66 -42.24 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 24 L H H 61.51 9.25 15.92 26.24 91.98 49.26 -64.33 -41.47 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 25 L H H 81.74 5.67 17.42 23.60 91.96 49.99 -64.22 -41.11 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 26 A H H 58.51 2.47 19.05 20.93 91.82 50.31 -64.04 -42.37 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 27 I H H 71.83 5.81 17.89 24.36 92.15 48.98 -64.69 -41.95 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 28 G H H 21.85 8.94 15.57 26.08 91.47 51.39 -62.89 -41.82 0.17 0.00 99.83 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 29 M H H 102.42 2.93 18.81 21.65 91.99 49.98 -64.82 -40.99 0.21 0.00 99.79 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 30 F H H 112.96 3.20 18.82 21.70 91.95 49.62 -64.74 -42.10 0.25 0.00 99.75 0.02 0.01 0.18 99.71 0.08 0.00 0.00 0.00 31 F H H 77.86 8.23 16.70 26.02 92.09 49.46 -64.93 -41.39 0.35 0.00 99.65 0.03 0.02 0.25 99.58 0.12 0.00 0.00 0.00 32 T H H 59.05 5.79 17.19 24.01 91.99 51.02 -63.99 -41.32 0.51 0.00 99.49 0.06 0.03 0.35 99.31 0.26 0.00 0.00 0.00 33 A H H 55.56 2.71 18.25 20.84 91.64 50.60 -64.06 -40.86 0.64 0.00 99.36 0.06 0.02 0.48 98.97 0.47 0.00 0.00 0.00 34 W H H 113.66 5.62 17.02 23.50 91.95 50.92 -64.19 -41.43 0.67 0.00 99.33 0.05 0.03 0.51 98.73 0.67 0.00 0.00 0.00 35 F H H 80.80 8.26 15.59 25.08 92.06 51.06 -64.52 -40.94 1.21 0.00 98.79 0.08 0.06 0.98 98.00 0.87 0.00 0.00 0.00 36 F H H 114.53 2.88 17.36 20.35 92.03 50.91 -64.93 -41.22 3.14 0.01 96.85 0.26 0.21 2.52 95.81 1.18 0.01 0.01 0.00 37 V H H 77.88 3.27 16.66 20.28 92.17 50.32 -65.41 -40.86 5.46 0.04 94.50 0.62 0.56 4.18 93.17 1.40 0.02 0.02 0.02 38 Y H H 89.56 7.83 13.80 22.97 93.05 49.56 -66.49 -38.78 8.13 0.12 91.75 1.53 1.12 5.47 88.40 3.32 0.04 0.07 0.05 39 E H H 100.91 5.23 14.43 21.01 92.71 53.16 -66.57 -35.24 15.35 0.20 84.44 2.80 1.84 10.68 80.02 4.40 0.06 0.12 0.08 40 V H H 99.74 2.09 14.70 16.85 94.84 50.46 -75.23 -29.61 23.85 0.39 75.76 4.76 3.89 15.75 71.31 3.80 0.10 0.19 0.20 41 T H H 77.83 4.50 12.47 18.28 100.85 51.54 -90.57 -8.88 46.61 1.33 52.05 18.68 11.34 18.39 47.15 3.13 0.07 0.53 0.71 42 S C C 54.04 7.89 9.44 18.77 109.68 88.11 -82.67 120.52 75.65 1.72 22.64 46.01 15.97 13.13 19.45 3.77 0.01 0.73 0.94 43 T C C 86.55 3.53 11.60 16.41 107.84 -152.20 -89.17 79.89 76.48 1.30 22.21 47.34 15.07 13.84 17.21 5.17 0.00 0.56 0.79 44 K C H 148.09 2.74 10.86 14.81 97.89 -111.47 -74.13 -19.29 65.11 0.87 34.02 23.45 20.14 22.70 23.86 8.86 0.03 0.34 0.63 45 Y C C 164.01 2.43 11.10 14.79 102.48 54.94 -88.11 -5.99 64.63 0.85 34.52 23.89 18.47 23.60 23.78 9.28 0.02 0.33 0.62 46 T C C 80.69 4.58 11.30 17.41 104.77 57.49 -96.98 20.66 66.09 1.10 32.81 36.10 14.14 16.58 24.10 7.90 0.01 0.45 0.71 47 R C C 122.54 7.76 10.29 19.32 106.94 107.97 -87.32 75.31 69.50 1.33 29.17 44.08 15.31 10.04 24.49 4.79 0.01 0.53 0.76 48 D C C 75.36 3.89 13.83 18.96 112.96 136.61 -87.82 130.10 67.24 1.49 31.27 54.38 7.56 4.44 30.17 2.16 0.00 0.57 0.72 49 I H H 104.27 5.53 11.83 19.05 93.68 -134.20 -62.59 -36.59 10.43 0.14 89.43 3.94 1.95 4.66 87.22 2.09 0.01 0.07 0.06 50 Y H H 157.42 1.36 15.58 16.24 92.00 52.62 -64.97 -40.09 7.40 0.10 92.50 2.04 1.02 4.45 90.18 2.20 0.02 0.05 0.03 51 K H H 93.17 4.91 15.57 21.70 92.34 49.32 -66.31 -40.13 4.46 0.07 95.47 1.69 0.59 2.27 93.51 1.87 0.01 0.04 0.02 52 E H H 47.85 13.34 12.86 26.90 91.76 51.74 -63.85 -41.70 1.22 0.01 98.76 0.43 0.15 0.58 98.33 0.52 0.00 0.00 0.00 53 L H H 85.34 4.79 17.92 23.49 92.05 50.50 -64.21 -40.88 0.90 0.01 99.09 0.23 0.08 0.50 98.80 0.39 0.00 0.00 0.00 54 L H H 92.53 2.23 20.35 21.44 91.89 49.54 -64.76 -41.55 0.92 0.01 99.07 0.17 0.06 0.57 98.81 0.37 0.00 0.00 0.00 55 I H H 54.71 9.80 17.84 28.54 92.11 49.01 -65.15 -42.08 0.64 0.00 99.35 0.10 0.05 0.40 99.19 0.25 0.00 0.00 0.00 56 S H H 30.60 12.58 15.88 29.24 91.60 51.36 -63.18 -41.26 0.94 0.00 99.05 0.13 0.06 0.62 98.84 0.34 0.00 0.00 0.00 57 L H H 92.43 3.07 20.70 23.43 91.71 50.19 -64.90 -41.45 1.54 0.01 98.46 0.13 0.08 1.21 98.08 0.50 0.00 0.00 0.00 58 V H H 72.21 3.65 20.76 24.28 91.93 48.48 -65.06 -42.17 1.94 0.01 98.05 0.21 0.15 1.45 97.54 0.64 0.01 0.00 0.00 59 A H H 19.52 12.28 15.34 29.20 91.65 50.59 -63.61 -41.44 1.94 0.02 98.04 0.42 0.18 1.20 96.13 2.06 0.00 0.01 0.00 60 S H H 38.73 9.02 15.37 25.88 91.25 51.86 -63.82 -38.74 2.92 0.02 97.06 0.34 0.20 2.17 92.91 4.36 0.01 0.01 0.00 61 L H H 106.28 2.48 17.77 20.22 92.37 51.01 -66.73 -37.67 3.47 0.03 96.50 0.29 0.23 2.85 92.07 4.52 0.01 0.01 0.00 62 F H H 116.49 5.10 15.56 21.50 94.06 49.22 -72.77 -31.93 9.26 0.07 90.67 0.68 0.73 7.90 86.41 4.17 0.05 0.04 0.03 63 M H H 90.68 7.64 13.70 22.26 97.56 47.02 -87.57 -10.64 45.33 0.54 54.13 3.08 4.24 37.34 50.65 3.94 0.18 0.24 0.32 64 G C T 41.32 5.60 14.61 21.34 102.48 -114.17 66.70 27.49 73.30 0.83 25.87 14.04 8.67 49.94 22.57 3.93 0.02 0.39 0.45 65 F C H 124.50 5.63 14.20 20.82 98.02 -40.37 -71.50 -4.74 59.19 2.06 38.75 25.00 11.84 23.42 30.00 7.64 0.08 1.01 1.02 66 G H H 31.87 8.39 14.18 23.66 97.47 51.89 -52.69 -19.72 46.25 3.21 50.54 22.05 8.52 17.19 38.84 10.18 0.12 2.07 1.03 67 V H H 74.81 5.72 14.59 21.73 94.32 77.76 -66.33 -36.49 26.14 4.91 68.95 13.74 4.72 8.58 53.36 14.41 0.11 4.29 0.78 68 L H H 87.59 4.71 15.28 21.16 93.06 56.07 -66.14 -37.90 16.41 4.22 79.38 7.33 2.68 6.54 61.69 16.94 0.10 4.27 0.45 69 F H H 86.93 7.67 13.76 22.83 92.70 53.17 -66.39 -38.82 8.54 1.77 89.70 3.27 1.28 3.89 70.00 19.48 0.04 1.90 0.14 70 L H H 79.62 6.20 14.10 21.59 92.44 54.14 -64.81 -39.80 6.14 0.77 93.08 1.72 0.82 3.39 72.51 20.64 0.03 0.83 0.06 71 L H H 97.60 3.30 14.85 19.05 92.47 53.61 -66.60 -36.60 8.11 0.59 91.30 1.83 1.02 4.93 70.01 21.53 0.05 0.56 0.08 72 L H H 87.22 5.61 12.66 19.65 93.39 53.16 -71.10 -29.43 18.20 1.13 80.67 4.18 2.44 11.15 61.93 19.02 0.13 0.90 0.25 73 W H H 136.76 6.33 11.68 19.34 95.09 57.45 -76.91 -19.51 36.17 2.21 61.62 8.80 5.17 21.64 47.40 14.42 0.31 1.49 0.76 74 V C T 95.96 3.52 11.44 16.26 100.54 62.67 -82.79 -6.32 56.62 3.31 40.07 10.33 9.99 35.57 31.59 8.74 0.43 1.95 1.39 75 G C T 51.15 3.05 11.51 15.85 100.79 16.94 52.26 -0.35 74.29 2.98 22.73 19.97 11.38 42.99 16.86 5.95 0.05 1.82 0.98 76 I C C 109.46 4.03 8.87 14.63 104.20 96.82 -86.35 8.78 76.15 7.73 16.12 45.19 12.83 18.40 10.89 5.16 0.03 4.95 2.55 77 Y C C 158.39 3.43 9.16 14.26 106.19 74.36 -89.79 58.60 84.06 8.39 7.55 72.02 2.54 9.69 4.65 2.23 0.00 5.53 3.35 78 V C C 93.10 5.57 10.81 17.95 109.60 107.89 -96.67 95.04 99.81 0.18 0.01 99.79 0.06 0.02 0.00 0.00 0.00 0.10 0.01