# 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 T C C 80.86 6.89 15.16 23.19 115.47 118.31 -100.70 128.92 99.90 0.06 0.04 99.80 0.09 0.05 0.02 0.00 0.00 0.03 0.01 1 F C C 79.19 11.41 10.69 22.88 117.53 -157.59 -101.86 134.78 92.94 1.14 5.92 89.46 1.36 1.43 6.47 0.28 0.00 0.42 0.58 2 S C C 56.06 3.64 16.54 20.62 117.14 -127.79 -80.73 156.99 84.92 0.83 14.25 77.01 3.64 2.12 16.05 0.49 0.00 0.28 0.40 3 R H H 111.41 12.36 11.59 24.02 92.96 -112.85 -59.32 -38.25 4.59 0.02 95.39 1.85 0.76 1.81 94.84 0.72 0.00 0.01 0.01 4 E H H 127.32 2.09 16.59 18.88 91.99 52.93 -64.85 -39.60 2.05 0.01 97.93 0.57 0.26 1.09 97.33 0.74 0.00 0.01 0.00 5 Q H H 89.65 3.50 17.43 21.33 92.08 49.36 -66.07 -40.16 1.52 0.01 98.47 0.47 0.17 0.80 97.58 0.97 0.00 0.01 0.00 6 V H H 16.66 16.32 13.33 30.40 92.01 50.48 -64.03 -43.15 1.02 0.01 98.97 0.26 0.10 0.56 98.50 0.57 0.00 0.00 0.00 7 F H H 63.72 11.79 16.07 28.67 91.93 50.14 -64.06 -40.37 1.20 0.01 98.79 0.19 0.08 0.79 97.61 1.31 0.00 0.00 0.00 8 T H H 82.23 1.91 21.05 21.41 92.09 50.86 -64.73 -40.44 4.23 0.01 95.77 0.25 0.19 3.62 93.42 2.51 0.00 0.00 0.00 9 F H H 89.04 7.62 17.81 26.37 92.41 49.41 -67.54 -35.08 8.90 0.01 91.09 0.38 0.50 7.78 88.50 2.82 0.01 0.00 0.01 10 A H H 11.78 19.64 11.13 30.50 94.39 53.94 -78.52 -16.32 26.07 0.12 73.82 3.72 2.79 19.41 66.69 7.22 0.04 0.05 0.08 11 K C T 134.17 4.75 15.98 22.67 92.80 87.02 -62.83 -27.01 62.41 0.14 37.45 2.91 2.84 56.82 22.82 14.40 0.01 0.06 0.15 12 N C T 126.77 1.18 17.08 17.28 94.72 51.69 -86.25 -1.54 72.78 0.16 27.06 4.25 4.77 64.02 11.31 15.41 0.00 0.08 0.16 13 F C C 69.16 15.07 8.82 23.30 114.59 100.49 -86.58 129.89 85.32 1.36 13.32 57.59 16.52 11.12 5.07 8.06 0.00 0.55 1.08 14 T C C 96.04 3.31 14.42 19.19 119.75 -169.05 -111.41 137.34 89.79 3.66 6.54 62.17 13.48 13.98 3.08 3.22 0.00 1.61 2.47 15 G C C 43.83 5.23 13.55 20.13 120.66 41.43 98.17 -167.30 87.98 2.49 9.54 36.30 30.11 22.17 3.31 5.66 0.01 1.12 1.33 16 R C C 149.75 4.10 13.60 19.08 111.81 -60.52 -90.81 129.99 82.15 2.06 15.79 53.75 16.28 11.81 7.05 8.86 0.00 0.89 1.37 17 A C C 60.37 8.26 10.69 20.04 103.71 -139.06 -73.42 -16.68 58.92 1.25 39.84 35.80 10.10 12.81 14.79 25.23 0.00 0.57 0.69 18 R C T 178.03 1.61 14.30 16.26 96.16 66.85 -70.73 -22.88 54.74 0.54 44.72 10.75 12.08 31.77 18.50 26.21 0.04 0.24 0.41 19 N C T 93.64 4.47 13.56 19.28 100.72 45.96 -93.66 18.16 55.38 0.72 43.90 20.87 9.51 25.66 19.38 23.75 0.02 0.32 0.49 20 V H H 54.40 9.99 12.00 23.27 98.98 109.11 -73.06 -25.70 22.11 0.46 77.42 15.63 4.81 3.07 74.54 1.58 0.00 0.15 0.20 21 Y H H 118.95 7.51 15.25 23.67 93.58 61.95 -64.73 -40.62 3.14 0.03 96.84 1.15 0.45 1.37 96.40 0.60 0.00 0.01 0.01 22 K H H 124.18 2.32 19.09 20.99 92.77 49.55 -65.53 -41.17 1.57 0.01 98.41 0.52 0.19 0.78 97.98 0.51 0.00 0.01 0.00 23 V H H 54.73 5.87 18.14 25.34 92.28 48.97 -65.18 -42.03 0.69 0.01 99.31 0.22 0.07 0.32 99.14 0.24 0.00 0.00 0.00 24 A H H 15.56 13.95 14.84 30.29 91.71 50.86 -63.69 -42.18 0.50 0.00 99.50 0.14 0.04 0.24 99.44 0.13 0.00 0.00 0.00 25 L H H 69.97 7.17 19.18 27.27 91.63 50.57 -63.84 -41.48 0.45 0.00 99.54 0.10 0.03 0.24 99.55 0.08 0.00 0.00 0.00 26 R H H 130.38 2.55 21.67 23.51 92.08 49.63 -64.96 -41.35 0.35 0.00 99.65 0.06 0.02 0.19 99.68 0.05 0.00 0.00 0.00 27 R H H 95.83 7.87 19.48 27.97 92.17 49.72 -65.47 -41.49 0.27 0.00 99.73 0.04 0.02 0.15 99.75 0.04 0.00 0.00 0.00 28 V H H 37.62 12.93 16.87 30.57 92.36 49.49 -64.96 -42.14 0.30 0.00 99.70 0.05 0.02 0.17 99.71 0.05 0.00 0.00 0.00 29 E H H 94.89 4.61 20.13 25.13 91.81 49.79 -63.95 -41.54 0.46 0.00 99.54 0.07 0.03 0.26 99.56 0.08 0.00 0.00 0.00 30 R H H 129.71 2.67 20.30 22.57 92.24 49.43 -64.91 -41.03 0.76 0.00 99.24 0.10 0.05 0.48 99.23 0.14 0.00 0.00 0.00 31 G H H 20.29 8.94 16.06 26.69 92.32 51.26 -64.29 -41.00 1.33 0.00 98.66 0.19 0.09 0.85 98.51 0.34 0.00 0.00 0.00 32 L H H 73.67 7.60 17.30 25.77 92.55 50.22 -65.30 -39.63 2.35 0.01 97.65 0.36 0.19 1.58 96.95 0.92 0.00 0.00 0.00 33 Q H H 106.96 2.60 18.61 21.12 92.51 50.83 -65.62 -40.37 3.85 0.01 96.14 0.55 0.34 2.70 94.95 1.44 0.01 0.00 0.00 34 H H H 105.30 3.76 17.54 21.67 93.13 49.11 -67.32 -38.42 8.49 0.05 91.47 1.68 0.97 5.73 88.35 3.19 0.02 0.02 0.03 35 S H H 42.89 8.70 14.62 24.42 93.40 54.24 -67.98 -35.54 20.54 0.09 79.37 3.05 2.06 15.28 75.84 3.63 0.03 0.04 0.06 36 Y H H 116.15 5.46 15.87 22.28 95.88 49.94 -77.42 -28.60 34.75 0.29 64.97 7.32 4.39 23.48 60.27 4.17 0.06 0.12 0.19 37 V H H 83.39 3.37 16.38 20.24 95.53 60.94 -66.98 -40.41 36.01 0.33 63.66 6.21 6.08 23.97 60.33 2.97 0.08 0.13 0.21 38 G H H 33.48 4.33 15.74 21.04 95.75 46.52 -64.11 -36.85 42.00 0.20 57.79 10.59 5.25 25.80 55.37 2.77 0.02 0.08 0.13 39 R H H 108.51 6.68 14.11 21.96 93.79 55.93 -65.85 -39.45 22.18 0.18 77.64 10.50 4.51 7.72 73.97 3.12 0.01 0.08 0.09 40 K H H 118.35 3.26 15.99 20.02 92.61 52.00 -65.27 -40.54 15.71 0.16 84.13 7.54 2.67 5.84 81.29 2.50 0.00 0.08 0.07 41 E H H 108.12 2.10 16.92 18.65 92.50 49.24 -65.82 -40.88 11.59 0.11 88.30 6.02 1.90 3.96 86.03 1.99 0.00 0.05 0.04 42 K H H 104.65 4.39 16.40 21.60 92.54 50.00 -65.68 -40.29 7.91 0.07 92.02 3.92 1.16 2.87 90.72 1.28 0.00 0.03 0.03 43 K H H 89.67 8.36 15.69 24.98 92.26 51.03 -64.92 -40.52 5.18 0.03 94.78 2.18 0.70 2.18 93.97 0.93 0.00 0.01 0.01 44 R H H 129.27 3.51 18.05 21.91 92.03 50.02 -65.06 -41.08 3.23 0.02 96.76 1.15 0.44 1.49 96.32 0.59 0.00 0.01 0.01 45 T H H 74.49 2.89 19.61 22.09 92.31 48.90 -65.54 -41.37 2.42 0.01 97.57 0.84 0.29 1.10 97.42 0.34 0.00 0.00 0.00 46 I H H 54.31 9.97 17.59 28.52 92.32 49.55 -64.57 -42.34 0.91 0.00 99.09 0.24 0.10 0.46 99.04 0.16 0.00 0.00 0.00 47 R H H 85.70 12.09 18.06 30.19 91.85 50.95 -63.27 -41.51 0.48 0.00 99.52 0.09 0.04 0.26 99.51 0.10 0.00 0.00 0.00 48 S H H 52.79 4.26 21.02 25.39 91.69 50.51 -64.18 -41.39 0.40 0.00 99.60 0.06 0.03 0.25 99.59 0.08 0.00 0.00 0.00 49 L H H 69.80 5.57 21.73 27.62 91.93 49.73 -64.57 -41.64 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 50 W H H 38.55 17.06 18.80 35.85 91.85 49.97 -64.11 -42.72 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 51 I H H 46.41 13.87 20.51 34.35 91.71 49.92 -63.91 -42.06 0.07 0.00 99.93 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 52 Q H H 100.53 3.25 24.88 27.65 91.71 49.90 -64.61 -41.52 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 53 R H H 82.59 11.05 23.35 34.25 92.19 48.89 -65.55 -41.63 0.24 0.00 99.76 0.01 0.01 0.21 99.74 0.03 0.00 0.00 0.00 54 I H H 9.69 22.85 19.47 42.19 91.93 49.08 -64.86 -42.97 0.44 0.00 99.56 0.02 0.02 0.35 99.57 0.04 0.00 0.00 0.00 55 N H H 60.49 9.89 23.91 33.96 91.58 50.67 -63.46 -41.56 0.52 0.00 99.48 0.06 0.03 0.33 99.50 0.08 0.00 0.00 0.00 56 A H H 40.72 4.18 24.68 29.09 91.29 50.45 -63.46 -42.14 0.41 0.00 99.59 0.02 0.02 0.29 99.49 0.18 0.00 0.00 0.00 57 G H H 6.95 14.32 19.01 34.81 91.82 50.75 -63.96 -42.18 0.61 0.00 99.39 0.04 0.03 0.44 99.26 0.23 0.00 0.00 0.00 58 C H H 12.15 17.15 15.33 33.33 91.63 50.79 -63.92 -41.74 0.81 0.00 99.18 0.10 0.06 0.52 98.99 0.33 0.00 0.00 0.00 59 R H H 160.40 2.16 19.54 21.88 91.72 49.86 -63.77 -40.95 1.13 0.00 98.87 0.10 0.06 0.86 97.88 1.10 0.00 0.00 0.00 60 E H H 125.66 3.46 17.44 21.82 91.59 51.95 -66.42 -32.01 6.01 0.01 93.98 0.14 0.19 5.81 92.58 1.26 0.01 0.00 0.00 61 H C T 79.58 10.60 13.50 25.10 96.11 41.60 -96.71 3.40 56.80 0.02 43.18 0.35 1.05 56.27 40.99 1.32 0.00 0.00 0.01 62 G C T 61.21 1.13 19.60 19.26 94.84 -111.66 75.24 18.95 99.90 0.00 0.10 1.43 1.17 97.34 0.03 0.01 0.00 0.00 0.00 63 F C C 45.48 16.02 10.23 26.31 123.66 133.84 -108.31 145.07 99.46 0.49 0.05 96.35 3.05 0.07 0.02 0.01 0.00 0.13 0.37 64 A C C 60.00 2.81 23.09 24.61 119.18 -121.94 -79.94 155.75 99.63 0.30 0.06 99.45 0.24 0.03 0.04 0.00 0.00 0.07 0.17 65 Y H H 67.03 18.96 13.02 31.15 92.21 -114.80 -58.49 -39.25 1.76 0.00 98.24 0.38 0.24 0.93 97.88 0.57 0.00 0.00 0.00 66 S H H 71.14 3.06 20.75 24.09 91.36 55.94 -63.26 -39.03 0.74 0.00 99.26 0.09 0.06 0.49 98.59 0.77 0.00 0.00 0.00 67 A H H 51.45 5.36 21.27 26.96 91.83 50.67 -65.78 -40.60 0.29 0.00 99.71 0.04 0.02 0.18 99.05 0.71 0.00 0.00 0.00 68 L H H 6.67 23.30 15.39 38.72 92.02 49.87 -64.32 -43.41 0.39 0.00 99.61 0.05 0.03 0.23 99.32 0.37 0.00 0.00 0.00 69 I H H 42.23 15.41 19.48 34.59 91.87 49.59 -63.53 -42.19 0.86 0.00 99.13 0.12 0.06 0.56 99.00 0.27 0.00 0.00 0.00 70 N H H 86.67 2.31 23.60 24.42 91.77 51.04 -63.86 -40.87 2.56 0.01 97.43 0.23 0.15 1.93 96.97 0.69 0.00 0.00 0.00 71 G H H 13.90 10.27 18.70 30.67 92.00 50.84 -64.75 -41.06 6.14 0.02 93.84 0.64 0.47 4.71 92.35 1.80 0.02 0.01 0.01 72 L H H 8.99 21.84 13.04 34.82 92.17 50.90 -64.87 -41.28 7.71 0.15 92.14 1.89 1.12 4.89 88.39 3.51 0.05 0.08 0.06 73 N H H 93.03 6.00 17.22 24.39 92.39 52.09 -64.49 -38.71 10.97 0.21 88.82 3.22 1.32 6.58 84.18 4.45 0.05 0.12 0.09 74 Q H H 131.87 1.77 17.07 18.81 91.52 56.56 -66.69 -27.61 20.87 0.32 78.81 2.71 2.20 16.30 74.32 3.99 0.15 0.15 0.18 75 E C T 83.71 9.33 13.47 24.02 95.87 46.52 -93.59 9.06 84.59 0.09 15.31 1.21 3.90 79.64 12.78 2.31 0.01 0.04 0.11 76 N C T 128.87 1.83 18.95 20.62 94.49 -115.12 61.06 36.59 98.65 0.05 1.30 3.29 3.18 92.44 0.67 0.36 0.00 0.02 0.02 77 I C C 21.80 20.36 10.69 30.58 113.94 147.81 -98.95 120.98 90.47 8.45 1.08 85.85 3.59 1.37 0.43 0.57 0.00 6.12 2.07 78 Q C C 117.75 3.58 23.83 27.73 109.99 -148.35 -92.51 109.55 87.47 11.76 0.78 83.18 3.31 1.33 0.35 0.38 0.00 9.58 1.88 79 L C C 18.02 23.39 11.25 33.85 123.12 169.18 -113.69 138.34 87.65 11.93 0.42 82.06 6.16 0.36 0.32 0.14 0.00 7.34 3.61 80 N C C 73.28 5.13 23.53 28.31 121.47 -129.42 -83.43 162.95 98.19 1.42 0.39 97.31 1.13 0.16 0.32 0.04 0.00 0.62 0.41 81 R H H 106.69 14.46 15.67 29.79 91.61 -104.54 -59.49 -37.47 1.36 0.00 98.64 0.18 0.18 0.75 98.73 0.15 0.00 0.00 0.00 82 K H H 122.06 4.61 21.55 26.72 91.80 54.08 -63.91 -40.73 0.67 0.00 99.32 0.05 0.04 0.48 99.24 0.18 0.00 0.00 0.00 83 V H H 31.18 13.25 20.65 34.42 92.06 48.74 -65.31 -42.39 0.43 0.00 99.57 0.03 0.02 0.31 99.46 0.17 0.00 0.00 0.00 84 L H H 6.52 23.83 18.64 42.27 91.66 50.26 -63.50 -42.90 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 85 S H H 19.88 14.20 21.55 36.30 91.53 51.38 -63.15 -42.24 0.14 0.00 99.86 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 86 E H H 81.39 5.91 25.80 32.10 91.66 50.11 -64.45 -41.44 0.20 0.00 99.80 0.01 0.01 0.14 99.82 0.03 0.00 0.00 0.00 87 L H H 13.15 17.68 20.23 38.38 91.70 50.33 -64.18 -42.25 0.21 0.00 99.79 0.01 0.01 0.15 99.77 0.07 0.00 0.00 0.00 88 A H H 10.17 20.54 17.24 37.73 91.66 52.69 -65.21 -35.63 0.79 0.00 99.21 0.03 0.02 0.69 98.99 0.27 0.00 0.00 0.00 89 M H H 93.56 8.40 20.98 29.58 93.93 50.75 -72.74 -34.34 5.43 0.00 94.57 0.04 0.09 5.74 93.77 0.36 0.00 0.00 0.00 90 H H H 108.99 5.42 19.74 25.71 100.83 32.43 -96.52 -26.44 10.39 0.01 89.60 0.13 0.68 9.61 89.33 0.24 0.01 0.00 0.01 91 E C C 67.06 10.53 16.31 27.79 113.51 20.20 -137.01 79.93 99.87 0.05 0.08 92.57 7.20 0.08 0.08 0.01 0.00 0.01 0.05 92 P H H 52.85 14.88 14.96 30.11 93.76 172.11 -61.63 -35.86 4.09 0.00 95.91 0.23 0.18 3.52 92.48 3.58 0.00 0.00 0.00 93 D H H 95.81 3.16 23.52 26.92 91.67 55.24 -64.68 -37.91 1.56 0.00 98.43 0.05 0.05 1.48 95.36 3.07 0.00 0.00 0.00 94 S H H 16.49 14.05 20.04 34.91 91.52 52.48 -64.62 -41.60 0.30 0.00 99.70 0.02 0.01 0.22 97.55 2.19 0.00 0.00 0.00 95 F H H 7.40 24.56 17.92 42.45 91.59 50.46 -63.77 -42.50 0.20 0.00 99.80 0.02 0.01 0.15 99.02 0.80 0.00 0.00 0.00 96 K H H 94.62 9.44 24.86 34.37 91.48 51.36 -63.19 -41.58 0.17 0.00 99.83 0.01 0.01 0.13 99.66 0.19 0.00 0.00 0.00 97 A H H 37.20 6.40 24.91 32.08 91.52 51.17 -63.80 -42.73 0.18 0.00 99.82 0.01 0.00 0.13 99.75 0.10 0.00 0.00 0.00 98 V H H 7.44 21.36 21.81 42.89 91.84 49.06 -63.98 -43.51 0.17 0.00 99.83 0.01 0.01 0.13 99.75 0.10 0.00 0.00 0.00 99 L H H 13.52 20.69 20.98 41.33 91.27 49.82 -63.06 -42.93 0.15 0.00 99.85 0.02 0.01 0.10 99.80 0.08 0.00 0.00 0.00 100 D H H 73.11 4.71 25.29 30.11 91.53 50.23 -64.02 -41.34 0.31 0.00 99.69 0.04 0.01 0.19 99.68 0.08 0.00 0.00 0.00 101 Q H H 62.34 8.94 22.90 32.26 91.90 49.48 -65.21 -41.42 0.44 0.00 99.56 0.03 0.02 0.30 99.51 0.13 0.00 0.00 0.00 102 V H H 8.88 19.47 16.78 36.98 91.94 49.66 -64.19 -42.88 0.90 0.00 99.09 0.11 0.07 0.59 98.86 0.36 0.00 0.00 0.00 103 R H H 82.21 10.26 17.87 28.87 91.74 50.99 -63.86 -41.55 3.04 0.02 96.93 0.48 0.25 2.13 96.09 1.03 0.01 0.01 0.01 104 F H H 125.04 2.80 17.81 20.79 92.63 49.89 -65.61 -39.94 7.24 0.05 92.71 1.03 0.62 5.32 91.15 1.81 0.01 0.03 0.02 105 M H H 86.88 8.53 14.20 23.83 92.54 51.35 -69.28 -30.44 15.73 0.12 84.15 1.92 1.61 12.03 82.58 1.73 0.03 0.05 0.06 106 K C T 97.61 8.60 12.49 22.19 96.09 48.07 -87.94 -0.55 61.30 0.22 38.47 3.37 5.21 50.24 38.92 2.01 0.02 0.08 0.15 107 G C T 64.23 0.85 15.30 15.20 96.23 -112.84 75.07 16.23 91.50 0.20 8.30 16.63 8.29 66.52 6.83 1.52 0.00 0.09 0.11 108 Q C C 83.31 8.32 10.46 20.33 120.45 136.21 -96.69 145.88 93.33 0.92 5.75 71.62 15.08 6.82 2.80 2.72 0.00 0.46 0.49 109 E C C 139.72 2.60 17.11 20.67 112.15 -117.34 -83.54 126.58 91.03 3.08 5.88 78.16 7.59 5.65 2.13 3.38 0.00 2.36 0.73 110 I C C 53.78 16.83 11.33 27.42 116.12 -169.46 -104.83 127.96 84.96 8.81 6.23 72.48 8.38 3.97 3.00 3.12 0.00 6.66 2.38 111 Y C C 122.34 7.81 16.82 25.57 116.47 -150.24 -100.73 129.31 82.22 11.65 6.13 67.60 9.75 4.51 2.84 3.23 0.00 9.06 3.01 112 A C C 41.90 12.79 12.76 25.99 116.89 -151.40 -87.61 141.56 85.18 9.69 5.13 65.60 15.32 4.21 1.77 3.21 0.00 8.62 1.26 113 N C C 105.63 4.39 16.78 22.41 109.71 -112.55 -78.90 124.61 83.58 11.73 4.69 66.16 11.23 6.03 1.26 3.40 0.00 10.15 1.76 114 V C C 62.20 13.63 9.69 23.19 113.73 -155.01 -98.22 123.81 83.62 14.22 2.17 71.26 8.94 2.91 0.84 1.42 0.00 9.51 5.11 115 E C C 124.87 3.66 12.98 18.42 117.03 -143.13 -97.46 134.55 97.72 2.23 0.04 97.26 0.79 0.12 0.01 0.01 0.00 1.56 0.25 116 P C C 91.87 4.85 13.73 20.24 111.57 -95.80 -67.03 145.76 99.96 0.04 0.00 99.90 0.06 0.02 0.00 0.00 0.00 0.02 0.00