# 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 114.98 5.19 11.78 18.35 110.94 -148.92 -86.50 121.73 99.87 0.08 0.05 99.79 0.07 0.06 0.02 0.00 0.00 0.03 0.01 1 A C C 71.26 4.30 9.74 15.60 106.62 -158.88 -81.07 87.36 83.82 1.74 14.44 76.91 1.32 7.19 9.43 3.35 0.00 0.84 0.96 2 Y C C 150.02 4.08 9.32 15.02 105.09 81.01 -85.17 17.68 76.85 2.64 20.52 49.35 11.99 15.44 13.28 7.13 0.01 1.28 1.52 3 H C C 134.14 2.86 11.09 15.29 105.26 89.09 -84.92 -1.09 62.66 1.88 35.46 33.07 12.43 17.81 22.11 12.61 0.03 0.85 1.10 4 G C H 42.99 3.52 12.54 17.19 101.72 35.29 -55.95 -45.94 53.47 1.01 45.52 17.07 11.92 24.96 27.68 17.15 0.08 0.45 0.69 5 L C T 92.94 6.22 11.26 18.79 95.58 37.42 -71.45 -26.50 54.97 0.88 44.15 11.58 11.26 32.00 30.31 13.68 0.12 0.41 0.64 6 T H H 73.58 4.91 13.00 19.20 93.84 62.67 -66.94 -37.78 27.76 0.52 71.73 8.76 5.93 14.46 64.33 5.88 0.10 0.21 0.33 7 V H H 83.94 2.29 15.46 17.83 92.40 53.51 -64.77 -41.75 4.50 0.02 95.48 1.98 0.79 1.54 95.10 0.57 0.00 0.01 0.01 8 P H H 58.51 5.11 14.47 21.14 92.41 50.02 -64.78 -40.42 2.08 0.02 97.90 0.95 0.20 0.82 97.49 0.51 0.00 0.01 0.00 9 L H H 66.09 8.59 13.99 23.85 92.29 50.43 -64.82 -40.85 0.52 0.00 99.47 0.17 0.05 0.25 99.21 0.32 0.00 0.00 0.00 10 I H H 94.61 3.08 16.99 20.27 92.02 49.53 -64.48 -41.60 0.31 0.00 99.68 0.09 0.03 0.15 99.59 0.13 0.00 0.00 0.00 11 V H H 84.91 2.14 18.06 19.47 92.02 48.22 -64.77 -42.09 0.33 0.00 99.67 0.06 0.02 0.19 99.64 0.09 0.00 0.00 0.00 12 M H H 69.10 7.81 15.59 24.65 92.21 48.49 -65.36 -41.03 0.32 0.00 99.68 0.05 0.02 0.19 99.66 0.08 0.00 0.00 0.00 13 S H H 40.34 8.89 14.85 25.04 91.96 50.88 -64.10 -40.75 0.46 0.00 99.54 0.05 0.02 0.30 99.51 0.10 0.00 0.00 0.00 14 V H H 88.48 1.93 18.74 19.55 91.97 49.40 -64.79 -40.99 0.80 0.00 99.20 0.05 0.03 0.64 99.11 0.16 0.00 0.00 0.00 15 F H H 108.52 3.18 17.97 21.19 92.17 48.58 -65.51 -41.94 1.14 0.00 98.86 0.08 0.06 0.92 98.70 0.25 0.00 0.00 0.00 16 W H H 82.65 10.88 14.70 26.53 92.16 49.54 -65.14 -40.62 1.35 0.00 98.65 0.12 0.07 1.04 98.10 0.65 0.00 0.00 0.00 17 G H H 32.40 5.67 16.26 23.11 91.89 51.49 -63.22 -40.95 1.89 0.00 98.10 0.13 0.09 1.58 96.96 1.24 0.00 0.00 0.00 18 F H H 127.65 1.43 19.44 18.95 92.09 48.27 -65.07 -40.63 2.28 0.01 97.71 0.15 0.13 1.94 96.09 1.67 0.01 0.00 0.00 19 V H H 61.49 6.34 16.34 23.82 92.42 48.79 -66.03 -40.67 2.65 0.01 97.34 0.16 0.17 2.29 94.69 2.67 0.01 0.00 0.00 20 G H H 20.00 12.54 12.46 25.91 91.64 53.34 -64.76 -35.40 8.97 0.01 91.01 0.29 0.31 8.66 84.39 6.33 0.01 0.01 0.00 21 F H H 137.23 2.58 16.93 19.57 93.04 48.29 -71.34 -29.12 28.33 0.02 71.65 0.41 0.83 28.14 64.03 6.53 0.03 0.01 0.02 22 L H H 102.67 2.30 16.60 18.59 95.60 47.89 -81.99 -26.32 32.21 0.05 67.74 0.96 2.03 29.23 61.17 6.49 0.06 0.02 0.05 23 V H G 50.86 10.04 11.99 23.25 94.12 70.11 -66.75 -37.52 15.43 0.12 84.45 3.94 2.37 7.97 38.86 46.74 0.00 0.06 0.05 24 P H G 63.88 9.02 12.31 22.47 92.06 62.34 -64.43 -29.87 6.54 0.05 93.42 0.98 0.52 4.49 31.03 62.93 0.00 0.04 0.01 25 W H G 193.98 1.41 15.42 16.60 92.47 57.30 -72.59 -19.46 8.11 0.06 91.83 0.66 0.65 6.27 29.87 62.50 0.00 0.04 0.01 26 F H G 137.79 3.20 14.47 18.44 97.68 50.53 -94.47 -5.98 27.24 0.39 72.37 2.91 3.86 18.47 27.04 47.22 0.08 0.19 0.23 27 I C S 58.71 13.00 9.26 22.88 115.58 96.45 -88.52 130.04 98.50 1.10 0.40 22.55 75.43 0.65 0.24 0.10 0.00 0.34 0.69 28 P C C 71.18 6.01 13.08 20.88 113.81 -114.47 -65.62 144.89 98.11 1.30 0.59 90.14 5.63 2.39 0.19 0.34 0.00 0.77 0.54 29 K C C 147.22 3.31 12.50 17.78 117.40 -136.02 -99.16 140.96 96.75 1.98 1.26 56.62 35.80 3.89 0.46 0.74 0.00 0.64 1.85 30 G C S 39.09 3.10 14.51 18.64 132.88 60.09 127.16 -173.95 92.33 0.81 6.86 25.82 58.76 8.11 2.50 3.67 0.00 0.26 0.89 31 P C T 113.80 1.55 14.34 15.66 98.13 -35.17 -67.90 -12.84 85.10 0.21 14.69 3.86 10.96 70.54 5.25 9.06 0.01 0.10 0.23 32 N C T 72.99 8.81 11.06 21.03 97.82 47.28 -91.53 10.85 84.42 0.22 15.36 12.86 5.62 66.20 8.01 7.01 0.00 0.11 0.19 33 R H H 108.22 8.97 12.62 22.98 93.21 119.09 -62.14 -38.74 9.99 0.05 89.96 2.63 1.64 5.69 88.27 1.72 0.01 0.02 0.03 34 G H H 45.24 2.21 17.56 19.46 91.90 52.64 -63.54 -39.25 5.40 0.02 94.58 1.00 0.54 3.63 93.91 0.89 0.00 0.01 0.01 35 V H H 68.53 5.74 17.66 24.25 92.16 50.09 -65.81 -41.38 1.19 0.01 98.80 0.32 0.13 0.61 98.52 0.42 0.00 0.00 0.00 36 I H H 39.10 14.50 15.01 29.91 92.05 50.46 -64.24 -42.34 0.27 0.00 99.73 0.07 0.02 0.11 99.69 0.10 0.00 0.00 0.00 37 I H H 80.30 6.38 19.21 26.25 91.83 49.46 -64.08 -41.74 0.17 0.00 99.83 0.03 0.01 0.08 99.82 0.05 0.00 0.00 0.00 38 T H H 73.43 2.58 20.73 22.41 91.50 49.59 -64.28 -41.84 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 39 M H H 59.42 10.63 17.86 29.28 91.89 49.81 -64.92 -41.38 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 40 L H H 51.56 13.81 17.25 31.12 91.92 50.70 -64.10 -41.30 0.17 0.00 99.83 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 41 V H H 84.61 3.02 21.84 24.09 91.95 48.72 -64.73 -41.67 0.36 0.00 99.64 0.03 0.01 0.26 99.66 0.04 0.00 0.00 0.00 42 T H H 68.89 3.62 21.42 24.82 91.85 48.88 -64.89 -41.93 0.29 0.00 99.71 0.03 0.01 0.18 99.75 0.03 0.00 0.00 0.00 43 C H H 23.94 14.72 16.64 32.03 91.93 50.62 -64.64 -41.68 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 44 S H H 42.35 8.91 19.31 28.90 91.78 51.50 -63.27 -41.79 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 45 V H H 84.76 2.05 22.69 22.97 91.59 49.36 -64.41 -41.92 0.14 0.00 99.86 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 46 C H H 44.43 8.00 18.98 28.15 92.05 49.89 -64.73 -42.03 0.28 0.00 99.72 0.03 0.01 0.19 99.71 0.06 0.00 0.00 0.00 47 C H H 30.61 13.65 16.48 30.84 91.79 51.14 -63.70 -41.79 0.41 0.00 99.59 0.04 0.02 0.30 99.57 0.08 0.00 0.00 0.00 48 Y H H 123.96 3.70 20.68 24.27 91.87 50.69 -64.21 -41.36 0.27 0.00 99.73 0.02 0.01 0.20 99.70 0.07 0.00 0.00 0.00 49 L H H 86.85 3.21 20.23 23.15 91.83 50.06 -64.87 -41.75 0.19 0.00 99.81 0.01 0.01 0.14 99.79 0.06 0.00 0.00 0.00 50 F H H 61.51 12.37 16.68 29.64 91.95 50.81 -64.36 -41.63 0.21 0.00 99.79 0.02 0.01 0.15 99.77 0.06 0.00 0.00 0.00 51 W H H 108.04 9.05 18.14 27.72 91.88 50.85 -64.00 -41.19 0.18 0.00 99.82 0.01 0.01 0.13 99.78 0.07 0.00 0.00 0.00 52 L H H 94.82 2.36 21.07 22.40 91.81 50.20 -64.40 -41.84 0.13 0.00 99.87 0.01 0.00 0.10 99.82 0.07 0.00 0.00 0.00 53 I H H 69.29 6.67 19.02 26.63 91.98 48.97 -65.01 -41.59 0.19 0.00 99.81 0.01 0.01 0.15 99.74 0.10 0.00 0.00 0.00 54 A H H 22.69 13.60 15.31 29.96 91.78 51.29 -63.82 -41.76 0.56 0.00 99.44 0.03 0.02 0.47 99.24 0.25 0.00 0.00 0.00 55 I H H 84.68 4.06 19.79 23.96 91.58 50.17 -64.14 -41.97 1.15 0.00 98.85 0.06 0.06 0.95 98.31 0.61 0.00 0.00 0.00 56 L H H 83.48 2.95 19.18 21.96 91.80 49.75 -64.71 -40.24 1.30 0.00 98.70 0.09 0.07 1.00 97.26 1.58 0.00 0.00 0.00 57 A H H 24.26 12.06 12.72 26.24 91.70 53.07 -65.42 -35.81 3.97 0.00 96.03 0.21 0.19 3.34 92.60 3.64 0.00 0.00 0.00 58 Q H H 97.58 7.18 14.78 23.01 92.21 53.51 -70.11 -28.73 12.94 0.01 87.05 0.53 0.61 11.78 84.03 3.03 0.01 0.01 0.01 59 L H H 122.53 1.58 15.58 16.67 94.23 51.58 -79.22 -22.04 24.46 0.11 75.43 2.00 4.10 18.85 72.89 1.97 0.08 0.03 0.09 60 N C C 79.22 4.97 11.21 18.10 111.41 42.87 -121.05 93.61 96.66 0.80 2.53 57.62 35.74 3.10 2.09 0.47 0.00 0.21 0.78 61 P C T 87.90 5.76 10.26 18.00 102.54 -164.36 -65.84 -6.56 84.56 0.46 14.98 19.16 10.66 54.56 2.70 12.39 0.00 0.23 0.29 62 L C T 125.30 2.29 12.65 15.87 95.69 63.34 -73.34 -20.30 83.23 0.63 16.14 8.05 13.98 60.96 2.96 13.27 0.00 0.33 0.43 63 F C T 118.29 5.53 12.03 18.77 101.33 47.86 -96.21 0.54 76.90 2.80 20.30 20.75 19.58 37.66 4.41 14.59 0.03 1.32 1.66 64 G C C 28.04 9.31 12.21 22.60 121.70 88.35 69.62 -163.55 76.29 2.34 21.37 43.80 20.48 12.09 5.37 15.71 0.00 1.10 1.45 65 P C C 81.02 6.07 13.81 21.08 102.54 -30.44 -71.93 26.24 70.77 1.63 27.60 35.75 14.95 20.14 6.24 21.26 0.01 0.84 0.80 66 Q C C 118.21 3.98 15.02 20.20 107.77 47.49 -86.86 69.66 67.10 3.08 29.82 38.94 12.02 16.33 7.75 21.89 0.02 1.63 1.42 67 L C C 60.36 13.34 9.18 22.43 112.87 93.76 -85.59 127.76 79.30 2.21 18.49 60.57 10.55 7.84 8.69 9.99 0.00 1.07 1.30 68 K C C 147.81 2.51 15.24 18.44 103.69 -156.47 -86.85 7.25 87.01 0.72 12.27 59.01 17.93 9.84 8.38 4.05 0.00 0.29 0.52 69 N C C 79.21 6.24 12.02 19.63 114.10 65.31 -94.05 133.61 77.56 0.66 21.78 36.11 30.58 10.01 19.92 2.69 0.00 0.19 0.49 70 E H H 124.32 3.07 14.26 18.29 93.85 -116.14 -64.59 -33.81 22.50 0.18 77.32 8.98 6.21 7.53 75.12 1.98 0.01 0.06 0.09 71 T H H 57.62 6.32 14.42 22.15 92.36 55.36 -65.30 -40.34 9.97 0.17 89.86 4.16 1.71 4.41 87.59 1.97 0.01 0.08 0.06 72 I H H 48.48 9.19 12.93 23.94 92.28 50.47 -65.37 -41.16 3.79 0.14 96.07 1.83 0.51 1.59 93.92 2.02 0.01 0.10 0.02 73 W H H 116.89 4.06 15.19 20.43 91.81 51.34 -63.81 -41.73 1.69 0.05 98.26 0.61 0.20 0.85 96.35 1.94 0.00 0.04 0.01 74 Y H H 110.95 3.19 15.45 19.40 91.84 50.32 -64.11 -41.61 1.78 0.04 98.18 0.40 0.17 1.12 96.14 2.13 0.00 0.03 0.01 75 L H H 65.47 7.12 12.62 21.44 92.20 50.33 -66.21 -38.42 1.85 0.02 98.13 0.29 0.15 1.27 94.74 3.54 0.00 0.01 0.00 76 K H H 108.38 5.79 12.21 19.55 92.33 52.69 -66.25 -35.92 3.35 0.01 96.64 0.26 0.19 2.66 87.70 9.17 0.00 0.01 0.00 77 Y H H 159.05 1.76 12.92 15.06 94.44 47.19 -73.04 -31.51 12.73 0.02 87.25 0.44 0.52 11.67 80.65 6.69 0.02 0.01 0.01 78 H H H 128.33 2.55 11.95 15.36 98.73 42.55 -90.26 -16.92 27.43 0.06 72.51 1.71 1.97 23.41 70.01 2.80 0.03 0.02 0.05 79 W C C 108.61 9.01 7.14 17.12 111.24 74.95 -94.42 112.41 99.72 0.13 0.15 88.87 10.48 0.36 0.12 0.02 0.00 0.04 0.11 80 P C C 98.67 2.50 13.58 17.07 106.98 -138.60 -70.22 129.97 99.98 0.02 0.00 99.87 0.08 0.04 0.00 0.00 0.00 0.01 0.00