# 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 112.51 5.05 11.59 18.06 111.08 -159.10 -91.13 119.78 99.91 0.06 0.03 99.84 0.07 0.04 0.01 0.00 0.00 0.02 0.01 1 T C C 85.49 3.79 10.38 15.64 106.51 -136.80 -81.29 105.83 79.50 1.72 18.77 71.97 1.36 7.41 13.94 3.53 0.00 0.84 0.94 2 A C C 69.27 4.62 9.66 15.79 102.32 53.31 -77.91 -10.18 67.76 1.69 30.54 40.30 11.57 16.19 21.37 8.80 0.01 0.79 0.97 3 H C H 134.78 2.63 11.74 15.38 98.38 69.47 -76.87 -22.20 51.38 1.24 47.38 25.30 10.30 16.19 31.00 15.91 0.03 0.56 0.70 4 S H H 67.22 3.18 12.75 16.92 98.01 57.95 -71.84 -32.96 43.20 0.85 55.95 15.08 8.24 19.50 36.09 20.13 0.07 0.41 0.48 5 F H H 103.07 7.43 11.62 20.20 95.36 52.79 -74.46 -24.44 46.61 0.83 52.56 12.26 8.18 25.88 36.46 16.18 0.11 0.40 0.53 6 A H H 54.01 5.77 13.31 20.59 93.43 62.35 -65.19 -39.28 21.63 0.32 78.05 7.45 4.54 10.78 71.88 4.95 0.06 0.13 0.21 7 L H H 93.89 2.15 16.52 18.37 92.45 52.38 -64.81 -41.54 4.11 0.02 95.87 1.73 0.69 1.53 95.34 0.70 0.00 0.01 0.01 8 P H H 55.50 5.61 15.11 22.36 92.02 50.11 -64.73 -40.47 2.09 0.02 97.90 0.88 0.20 0.89 97.36 0.66 0.00 0.01 0.00 9 V H H 52.81 10.24 14.28 25.62 92.08 49.96 -64.80 -41.13 0.67 0.01 99.32 0.21 0.07 0.33 98.93 0.46 0.00 0.00 0.00 10 I H H 93.68 3.28 17.73 21.27 91.77 49.54 -64.61 -41.36 0.48 0.01 99.51 0.12 0.04 0.25 99.33 0.24 0.00 0.00 0.00 11 I H H 96.63 2.07 18.88 19.97 91.94 48.33 -64.85 -42.13 0.70 0.00 99.30 0.11 0.05 0.45 99.18 0.20 0.00 0.00 0.00 12 F H H 71.35 9.22 15.96 26.33 92.14 48.72 -65.42 -41.14 0.65 0.00 99.35 0.12 0.05 0.39 99.25 0.19 0.00 0.00 0.00 13 T H H 45.66 10.71 15.17 26.86 91.97 50.75 -64.35 -40.73 0.75 0.00 99.25 0.09 0.04 0.51 99.09 0.26 0.00 0.00 0.00 14 T H H 81.76 1.95 19.53 20.30 92.04 49.48 -64.69 -40.87 1.27 0.00 98.72 0.08 0.06 1.08 98.38 0.40 0.00 0.00 0.00 15 F H H 109.11 3.22 18.87 22.05 92.20 48.09 -65.47 -41.93 2.15 0.00 97.85 0.13 0.11 1.84 97.39 0.52 0.00 0.00 0.00 16 W H H 69.75 13.05 14.92 28.56 92.13 49.32 -65.23 -40.87 2.58 0.01 97.41 0.24 0.17 2.03 96.53 1.01 0.01 0.00 0.00 17 G H H 31.13 7.04 16.69 24.89 91.68 52.25 -62.97 -41.06 3.44 0.01 96.55 0.26 0.20 2.85 94.80 1.88 0.01 0.00 0.00 18 L H H 104.50 1.46 20.68 20.06 91.90 48.65 -64.98 -40.84 3.63 0.01 96.36 0.27 0.24 3.04 94.04 2.39 0.01 0.01 0.00 19 I H H 69.60 6.97 17.55 25.51 92.36 48.51 -66.35 -40.59 3.33 0.01 96.66 0.27 0.27 2.71 93.35 3.37 0.01 0.01 0.00 20 G H H 17.10 14.48 13.28 28.27 91.91 53.04 -64.49 -38.19 8.93 0.02 91.04 0.49 0.44 7.95 84.16 6.92 0.02 0.01 0.01 21 I H H 108.74 3.09 18.41 21.60 92.94 47.99 -69.62 -32.27 22.00 0.04 77.96 0.65 1.02 20.55 71.23 6.45 0.05 0.02 0.03 22 A H H 65.64 2.50 18.02 20.08 94.11 49.67 -76.21 -25.90 26.54 0.10 73.36 1.76 2.94 21.74 67.07 6.26 0.10 0.04 0.09 23 G H G 20.31 11.28 12.44 24.94 93.55 73.15 -63.08 -40.07 19.73 0.24 80.03 6.75 3.15 9.00 33.76 47.11 0.01 0.13 0.09 24 P H G 61.89 9.82 13.10 23.89 91.59 56.81 -66.17 -28.46 10.62 0.11 89.26 1.85 1.07 6.99 27.69 62.29 0.00 0.08 0.02 25 W H G 191.35 1.56 16.35 17.71 93.30 55.43 -73.87 -20.59 12.22 0.14 87.64 1.36 1.27 8.85 26.86 61.52 0.01 0.09 0.04 26 F H G 139.95 2.98 15.10 18.75 98.33 49.26 -96.39 -5.87 34.34 0.91 64.75 5.50 6.33 21.16 23.46 42.43 0.14 0.44 0.55 27 V C S 52.77 12.92 9.42 22.96 115.61 94.39 -88.17 130.14 98.28 1.28 0.44 27.23 70.44 0.76 0.24 0.13 0.00 0.41 0.78 28 P C C 73.02 5.83 13.44 20.99 113.26 -115.94 -65.49 145.42 98.21 1.14 0.65 89.05 6.33 2.84 0.19 0.42 0.00 0.66 0.51 29 K C C 144.07 3.66 12.43 18.13 118.88 -136.64 -103.36 143.04 96.76 1.93 1.31 56.24 35.75 4.30 0.43 0.82 0.00 0.62 1.83 30 G C S 39.28 3.03 14.92 18.89 132.82 60.88 125.63 -173.10 90.77 0.86 8.36 21.66 60.26 9.41 2.55 4.90 0.00 0.30 0.93 31 P C T 113.77 1.58 14.48 15.84 97.43 -33.33 -67.97 -15.07 84.84 0.22 14.93 3.33 10.62 71.22 3.83 10.65 0.01 0.11 0.24 32 N C T 71.18 9.16 11.18 21.45 97.41 48.41 -91.79 10.38 84.38 0.24 15.38 12.38 5.30 66.98 6.47 8.57 0.00 0.12 0.19 33 R H H 104.12 9.94 12.56 23.66 93.07 119.18 -61.23 -39.42 7.63 0.04 92.34 1.97 1.21 4.41 90.92 1.45 0.01 0.01 0.02 34 G H H 46.24 2.11 18.03 19.61 91.80 52.98 -63.54 -39.41 4.16 0.01 95.82 0.71 0.38 2.89 95.22 0.77 0.00 0.01 0.00 35 V H H 69.11 5.69 18.21 24.65 92.02 49.65 -65.74 -41.46 1.04 0.01 98.95 0.27 0.11 0.54 98.68 0.40 0.00 0.00 0.00 36 I H H 33.53 15.77 14.93 30.92 91.99 50.32 -64.18 -42.50 0.24 0.00 99.76 0.06 0.02 0.10 99.73 0.09 0.00 0.00 0.00 37 I H H 78.72 7.16 19.46 27.21 91.69 49.75 -63.70 -41.53 0.16 0.00 99.84 0.03 0.01 0.08 99.83 0.05 0.00 0.00 0.00 38 T H H 75.08 2.44 21.50 22.79 91.48 49.52 -64.12 -41.80 0.13 0.00 99.87 0.02 0.00 0.07 99.88 0.03 0.00 0.00 0.00 39 M H H 57.59 11.14 18.40 30.17 91.88 49.82 -65.11 -41.21 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 44.75 15.36 17.38 32.53 91.96 50.75 -63.59 -41.72 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.02 0.00 0.00 0.00 41 V H H 83.94 3.28 22.55 25.14 91.80 49.16 -64.67 -41.58 0.24 0.00 99.76 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 42 A H H 53.58 3.88 21.84 25.65 91.47 49.12 -64.57 -41.87 0.20 0.00 99.80 0.02 0.01 0.11 99.83 0.02 0.00 0.00 0.00 43 T H H 23.22 15.93 17.28 33.53 91.97 50.32 -64.99 -41.54 0.12 0.00 99.88 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 44 A H H 37.95 10.09 19.53 30.22 91.58 51.55 -63.03 -41.92 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 45 V H H 85.73 2.05 23.47 23.66 91.62 49.44 -64.36 -41.96 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 46 C H H 42.31 8.69 19.43 29.24 91.98 50.00 -64.68 -42.14 0.24 0.00 99.76 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 47 C H H 27.67 14.94 16.77 32.15 91.83 51.08 -63.43 -41.76 0.38 0.00 99.61 0.03 0.01 0.28 99.60 0.07 0.00 0.00 0.00 48 Y H H 123.92 3.85 21.24 24.95 91.86 50.61 -64.10 -41.35 0.29 0.00 99.71 0.02 0.01 0.22 99.69 0.06 0.00 0.00 0.00 49 L H H 85.16 3.47 20.74 24.02 91.78 50.07 -64.76 -41.91 0.19 0.00 99.81 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 50 F H H 55.11 13.68 16.87 30.96 91.86 51.07 -64.28 -41.75 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 51 W H H 106.50 9.52 18.57 28.46 91.82 50.75 -63.90 -41.32 0.12 0.00 99.88 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 52 L H H 94.52 2.39 21.54 22.85 91.73 50.21 -64.41 -41.56 0.12 0.00 99.88 0.00 0.00 0.09 99.85 0.05 0.00 0.00 0.00 53 I H H 65.83 7.50 19.20 27.66 91.89 49.38 -64.96 -41.68 0.20 0.00 99.80 0.01 0.00 0.16 99.75 0.07 0.00 0.00 0.00 54 A H H 21.61 14.41 15.61 30.91 91.50 51.31 -63.73 -41.62 0.56 0.00 99.44 0.03 0.02 0.46 99.25 0.24 0.00 0.00 0.00 55 I H H 85.25 4.09 20.37 24.41 91.58 50.30 -64.01 -41.92 1.00 0.00 99.00 0.05 0.05 0.82 98.52 0.55 0.00 0.00 0.00 56 L H H 81.54 3.20 19.60 22.74 91.67 49.80 -64.92 -40.28 1.08 0.00 98.92 0.07 0.05 0.84 97.69 1.35 0.00 0.00 0.00 57 A H H 21.25 12.90 12.83 27.10 91.53 52.85 -65.43 -36.40 3.67 0.00 96.33 0.19 0.17 3.10 93.30 3.23 0.00 0.00 0.00 58 Q H H 95.66 7.36 14.99 23.40 92.18 53.45 -69.47 -29.56 12.54 0.01 87.44 0.48 0.57 11.47 84.80 2.65 0.02 0.00 0.01 59 L H H 122.26 1.57 15.79 16.84 93.90 52.59 -78.35 -22.23 23.40 0.12 76.48 1.77 3.80 18.28 74.22 1.71 0.09 0.04 0.10 60 N C C 75.58 5.30 11.10 18.37 111.00 41.29 -122.53 93.89 97.06 0.95 1.98 59.23 35.00 2.56 1.75 0.34 0.00 0.24 0.87 61 P C T 91.24 5.45 9.91 17.55 98.61 -170.34 -64.63 -20.79 88.23 0.52 11.26 17.20 11.29 59.69 2.10 9.15 0.00 0.28 0.30 62 L C T 132.30 1.60 12.97 14.92 95.21 60.45 -74.61 -20.73 87.01 0.69 12.30 6.88 15.65 64.34 2.11 10.20 0.00 0.38 0.44 63 F C T 123.09 4.84 12.44 18.46 102.10 46.12 -100.14 -3.57 81.02 3.84 15.14 20.10 23.28 38.56 3.07 10.99 0.03 1.88 2.08 64 G C C 27.84 9.39 12.54 22.94 124.33 -103.39 90.75 -177.13 87.14 3.95 8.91 49.71 30.15 7.39 3.23 5.55 0.00 1.98 1.98 65 P C C 71.35 7.87 13.79 22.79 111.61 -33.04 -71.14 145.48 83.32 3.19 13.49 57.57 14.31 11.04 4.36 9.51 0.00 1.98 1.23 66 Q C C 117.61 4.43 15.32 21.24 113.72 -137.08 -92.55 128.71 78.50 7.96 13.54 58.44 11.07 8.63 5.25 8.43 0.01 4.82 3.34 67 L C C 65.75 12.64 9.30 22.10 115.50 -149.33 -91.63 132.80 82.52 6.10 11.39 67.74 8.78 5.67 6.43 5.03 0.00 3.89 2.46 68 K C C 141.91 2.64 14.65 18.14 110.17 -144.49 -84.93 126.31 81.52 1.73 16.75 45.61 18.10 17.57 11.90 5.14 0.00 0.94 0.74 69 N C C 94.83 5.76 12.03 19.00 101.35 -35.43 -74.65 9.36 72.78 0.96 26.26 27.17 22.81 22.92 20.47 5.65 0.01 0.43 0.54 70 E C H 116.68 4.11 13.62 18.89 95.49 69.60 -71.35 -24.90 57.09 1.71 41.20 32.87 13.43 10.41 37.37 4.42 0.02 0.87 0.61 71 T H H 55.81 6.86 14.12 22.45 93.59 61.88 -67.10 -37.78 40.32 3.58 56.10 28.45 6.29 6.39 52.02 3.63 0.02 2.34 0.87 72 I H H 52.93 10.13 12.76 24.29 92.54 53.64 -65.98 -39.84 20.48 3.57 75.95 14.38 3.15 4.47 70.17 4.23 0.02 3.10 0.48 73 W H H 124.80 3.97 15.62 20.59 92.23 52.91 -64.25 -40.91 10.36 2.19 87.45 5.57 1.51 3.85 80.93 5.71 0.03 2.20 0.20 74 Y H H 109.56 3.53 15.79 20.12 92.03 50.99 -64.95 -41.38 8.48 1.36 90.16 3.97 1.16 3.69 83.81 5.87 0.02 1.34 0.14 75 V H H 50.15 8.04 13.15 22.99 92.48 49.91 -66.16 -40.00 6.30 0.68 93.02 3.03 0.84 2.71 86.40 6.31 0.01 0.61 0.09 76 R H H 110.46 5.89 13.08 20.52 92.05 52.97 -64.45 -39.81 4.11 0.22 95.67 1.36 0.48 2.27 85.34 10.32 0.01 0.18 0.04 77 F H H 128.20 2.03 13.58 16.01 92.82 50.23 -66.65 -38.30 6.94 0.12 92.94 1.18 0.65 4.88 80.85 12.30 0.03 0.08 0.03 78 L H H 99.85 3.45 11.88 16.66 93.61 50.03 -71.94 -31.72 14.82 0.12 85.06 1.97 1.41 10.90 76.45 9.12 0.04 0.06 0.06 79 W H H 127.77 6.59 8.63 16.74 98.72 50.15 -87.57 -5.14 46.21 0.52 53.28 21.62 2.43 22.84 48.64 3.89 0.01 0.19 0.38 80 E C C 137.57 2.81 12.79 17.05 101.20 96.23 -68.91 22.43 99.88 0.02 0.10 99.65 0.08 0.18 0.07 0.00 0.00 0.01 0.00