# 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 113.05 6.87 16.45 24.19 104.79 69.60 -88.02 21.62 99.94 0.05 0.00 99.88 0.06 0.03 0.00 0.00 0.00 0.02 0.00 1 A C C 46.95 9.97 16.50 27.07 121.03 73.43 -101.62 150.58 92.63 7.01 0.36 87.93 2.45 2.15 0.08 0.23 0.00 6.32 0.85 2 D C C 69.17 10.54 20.91 31.31 113.32 -126.49 -90.35 131.21 73.39 26.22 0.39 50.35 19.07 2.40 0.05 0.41 0.00 27.05 0.66 3 A E E 7.07 20.92 19.86 40.88 134.42 47.50 -134.32 154.71 20.97 78.91 0.12 18.51 1.91 0.20 0.02 0.09 0.00 78.65 0.61 4 L E E 9.74 22.13 26.73 47.94 125.01 -148.67 -118.83 136.89 3.52 96.46 0.02 2.97 0.50 0.05 0.00 0.01 0.00 96.32 0.14 5 G E E 1.16 25.61 27.32 52.12 129.01 -163.65 -118.77 148.67 0.70 99.30 0.00 0.54 0.07 0.00 0.00 0.00 0.00 99.38 0.01 6 M E E 8.84 23.61 28.90 51.39 121.30 -158.12 -118.63 129.69 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 7 I E E 1.78 26.94 26.67 53.38 120.54 -167.24 -117.02 128.22 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 8 E E E 34.22 16.85 28.79 45.21 117.37 -161.24 -107.37 125.81 0.74 99.26 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.30 0.01 9 V E E 5.39 24.19 18.68 43.09 134.02 171.23 -133.17 155.22 11.50 88.49 0.01 11.50 0.24 0.01 0.00 0.00 0.00 87.91 0.33 10 R C S 120.27 8.85 24.98 34.17 104.93 -127.73 -91.50 56.27 86.37 13.58 0.05 17.99 67.28 0.60 0.01 0.03 0.00 13.83 0.25 11 G C S 19.81 9.54 25.13 35.14 140.49 -5.27 113.07 169.77 95.76 2.13 2.11 12.10 82.05 1.98 1.99 0.22 0.00 0.76 0.90 12 F H H 73.26 17.92 18.42 35.24 91.70 -93.78 -61.91 -38.32 2.19 0.00 97.80 0.24 0.36 1.47 97.29 0.63 0.00 0.00 0.00 13 V H H 81.46 5.21 25.74 31.29 91.49 53.43 -63.24 -41.07 1.14 0.00 98.86 0.12 0.09 0.81 98.12 0.86 0.00 0.00 0.00 14 G H H 7.79 17.47 21.30 38.86 91.54 50.48 -65.23 -40.71 0.51 0.00 99.49 0.08 0.04 0.31 98.42 1.15 0.00 0.00 0.00 15 M H H 3.19 26.58 19.85 46.49 91.55 51.69 -63.66 -42.64 0.23 0.00 99.77 0.04 0.01 0.12 99.66 0.17 0.00 0.00 0.00 16 V H H 54.94 11.88 27.13 39.06 91.85 49.92 -63.63 -42.44 0.11 0.00 99.88 0.01 0.01 0.07 99.89 0.03 0.00 0.00 0.00 17 E H H 82.84 6.50 29.12 36.80 91.46 49.83 -64.06 -42.19 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 18 A H H 2.20 25.53 22.75 48.09 91.53 49.86 -64.23 -42.70 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 19 A H H 3.68 24.95 23.16 47.47 91.36 51.10 -63.14 -42.87 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 20 D H H 74.03 5.76 28.76 35.30 91.47 50.66 -63.95 -41.49 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.01 0.00 0.00 0.00 21 A H H 21.50 11.94 25.04 37.72 91.57 49.82 -64.85 -42.00 0.21 0.00 99.79 0.01 0.01 0.15 99.79 0.03 0.00 0.00 0.00 22 M H H 2.93 27.09 18.65 46.29 91.70 50.35 -64.16 -42.72 0.30 0.00 99.70 0.02 0.01 0.21 99.69 0.07 0.00 0.00 0.00 23 V H H 44.07 17.13 20.42 36.46 91.88 51.25 -64.76 -37.11 1.16 0.00 98.84 0.07 0.05 0.94 98.65 0.29 0.00 0.00 0.00 24 K H H 146.62 1.98 23.82 25.35 91.59 51.85 -71.10 -25.60 5.17 0.00 94.83 0.10 0.14 5.03 94.35 0.37 0.00 0.00 0.00 25 A H H 36.62 13.33 17.89 31.35 97.90 43.45 -93.34 -16.87 14.60 0.02 85.38 0.26 0.70 13.64 85.00 0.35 0.02 0.00 0.01 26 A C S 14.32 19.49 15.69 34.85 139.57 22.60 -144.15 162.40 86.35 4.26 9.39 13.04 49.82 22.03 9.87 1.14 0.03 2.86 1.20 27 K C T 133.61 3.30 24.52 28.00 104.36 -108.98 -75.71 107.24 93.95 5.79 0.26 36.16 18.84 38.33 0.05 0.20 0.00 6.16 0.26 28 V E E 9.21 25.40 10.99 36.17 126.68 156.82 -116.02 144.97 49.32 50.65 0.03 45.60 1.53 0.07 0.00 0.02 0.00 52.57 0.21 29 E E E 101.36 4.48 26.48 31.27 117.73 -143.53 -108.78 128.73 4.11 95.88 0.02 3.82 0.15 0.02 0.00 0.00 0.00 95.94 0.07 30 L E E 49.22 20.45 14.57 34.24 110.40 -128.43 -80.89 123.67 0.79 99.20 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.19 0.02 31 I E E 71.44 8.82 20.59 30.33 100.68 175.76 -96.98 -27.50 1.82 98.18 0.00 1.21 0.33 0.04 0.00 0.00 0.00 98.41 0.01 32 G E E 19.57 7.45 23.67 32.43 145.05 -24.07 -174.27 167.96 0.91 99.09 0.00 0.64 0.12 0.01 0.00 0.00 0.00 99.22 0.00 33 Y E E 78.03 21.08 13.36 32.93 132.17 -150.59 -141.72 142.98 1.05 98.95 0.00 0.98 0.03 0.00 0.00 0.00 0.00 98.98 0.01 34 E E E 89.69 5.84 22.63 29.31 128.90 -173.42 -134.33 141.38 1.36 98.64 0.00 1.19 0.06 0.00 0.00 0.00 0.00 98.73 0.02 35 K E E 122.04 8.50 15.37 25.36 113.01 -124.76 -83.17 126.88 7.81 92.16 0.03 7.00 0.42 0.06 0.00 0.01 0.00 92.34 0.16 36 T E E 55.57 11.27 12.57 24.49 107.02 -175.88 -105.79 -1.49 44.13 55.56 0.31 37.00 5.21 1.11 0.04 0.30 0.00 55.65 0.68 37 G C E 53.81 2.41 15.50 18.35 112.25 -79.76 77.86 156.41 52.31 42.87 4.82 6.13 21.90 28.94 0.22 4.88 0.03 35.42 2.48 38 G C T 57.12 2.80 15.92 19.21 96.14 12.31 60.79 16.98 92.61 0.92 6.47 2.02 14.22 74.59 0.12 8.19 0.00 0.61 0.25 39 G C T 30.78 9.68 15.11 25.70 97.13 -67.64 87.67 3.50 94.84 1.29 3.87 3.89 22.05 67.97 0.10 4.77 0.00 1.01 0.22 40 Y E E 62.23 12.45 18.02 31.48 122.09 122.21 -97.58 142.51 20.23 79.73 0.04 16.91 2.78 0.23 0.01 0.03 0.00 78.91 1.13 41 V E E 11.20 20.36 18.78 39.46 128.56 -166.86 -125.73 143.04 1.59 98.41 0.00 1.42 0.05 0.00 0.00 0.00 0.00 98.47 0.05 42 T E E 18.81 16.19 25.83 42.09 123.67 -157.44 -117.51 137.15 0.44 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.01 43 A E E 2.45 25.09 21.82 46.99 127.46 -171.11 -124.54 141.82 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 44 V E E 22.05 15.32 27.89 43.71 117.90 -152.00 -107.40 127.21 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 45 V E E 2.12 26.44 20.71 47.90 123.58 -169.36 -117.87 135.59 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.01 46 R E E 77.57 11.67 26.99 38.86 126.52 -167.82 -120.24 141.50 3.59 96.41 0.00 3.02 0.28 0.01 0.00 0.00 0.00 96.62 0.07 47 G E E 12.46 13.06 22.41 36.59 143.70 81.65 154.47 -171.62 26.18 73.80 0.01 11.33 14.89 0.25 0.00 0.01 0.00 73.26 0.26 48 D C C 71.33 5.73 24.73 30.79 116.15 -36.56 -74.58 143.44 75.89 24.05 0.06 73.17 3.12 0.08 0.03 0.03 0.00 22.12 1.45 49 V H H 52.51 17.13 15.91 32.62 91.80 -119.65 -59.73 -38.69 1.34 0.00 98.66 0.14 0.17 0.83 98.64 0.21 0.00 0.00 0.00 50 A H H 65.96 2.95 25.15 27.70 91.38 54.34 -63.35 -40.56 0.44 0.00 99.56 0.03 0.03 0.31 99.43 0.20 0.00 0.00 0.00 51 A H H 24.99 13.09 21.83 35.22 91.78 48.64 -66.49 -39.83 0.15 0.00 99.84 0.01 0.01 0.10 99.68 0.20 0.00 0.00 0.00 52 V H H 2.15 27.35 17.09 45.20 91.47 50.66 -63.62 -43.21 0.07 0.00 99.93 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 53 K H H 95.51 9.44 26.75 36.58 91.29 50.67 -62.73 -42.29 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 54 A H H 43.90 4.95 28.06 33.78 91.20 50.05 -63.53 -42.35 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 55 A H H 3.25 24.35 22.12 46.21 91.66 50.31 -64.34 -42.67 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 56 T H H 9.43 23.09 23.70 45.83 91.64 50.01 -63.08 -42.68 0.07 0.00 99.93 0.01 0.00 0.05 99.94 0.01 0.00 0.00 0.00 57 E H H 103.90 3.48 29.36 33.30 91.31 49.93 -63.35 -42.48 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 58 A H H 23.44 10.16 25.91 37.27 91.28 49.55 -64.02 -42.41 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 59 G H H 1.04 26.53 19.67 46.53 91.54 50.85 -63.62 -43.02 0.17 0.00 99.83 0.01 0.01 0.12 99.83 0.04 0.00 0.00 0.00 60 Q H H 61.23 14.91 24.68 38.41 91.35 50.87 -62.87 -42.43 0.22 0.00 99.78 0.01 0.01 0.15 99.78 0.05 0.00 0.00 0.00 61 R H H 135.49 1.98 27.65 28.17 91.45 49.77 -63.68 -41.91 0.37 0.00 99.63 0.03 0.02 0.26 99.59 0.11 0.00 0.00 0.00 62 A H H 16.76 12.84 20.98 34.89 91.82 49.54 -64.68 -41.91 0.80 0.00 99.20 0.05 0.04 0.61 99.09 0.21 0.00 0.00 0.00 63 A H H 4.79 23.53 13.84 37.42 91.46 51.78 -64.37 -40.41 1.68 0.00 98.31 0.17 0.11 1.24 97.54 0.94 0.00 0.00 0.00 64 E H H 122.84 4.58 19.01 24.97 91.40 53.78 -64.43 -35.11 5.58 0.01 94.40 0.37 0.27 4.88 91.57 2.89 0.01 0.00 0.00 65 R H H 168.96 1.56 19.70 20.46 92.58 51.26 -70.61 -30.38 13.94 0.03 86.04 0.54 0.69 12.82 83.65 2.25 0.02 0.01 0.02 66 V H H 56.97 11.92 13.87 26.30 99.18 38.17 -96.62 -15.89 33.47 0.17 66.37 1.61 3.62 28.11 64.24 2.15 0.08 0.06 0.11 67 G C T 40.06 4.45 19.96 24.94 126.21 -92.91 113.61 1.99 96.43 3.02 0.54 16.66 28.46 51.39 0.12 0.35 0.00 2.79 0.23 68 E C C 101.88 8.61 18.83 27.72 112.51 -21.44 -88.79 125.97 78.49 21.15 0.37 68.89 6.66 1.07 0.05 0.32 0.00 22.60 0.41 69 V E E 44.95 18.71 12.66 30.74 111.58 -133.35 -86.51 122.91 13.07 86.90 0.03 13.11 0.30 0.02 0.01 0.01 0.00 86.00 0.54 70 V E E 71.66 7.84 19.77 28.58 100.65 177.97 -95.88 -31.46 10.55 89.44 0.01 6.72 3.69 0.09 0.00 0.01 0.00 89.41 0.07 71 A E E 41.19 7.24 22.92 31.29 141.60 -2.51 -158.29 153.88 1.03 98.96 0.00 0.88 0.09 0.01 0.00 0.00 0.00 99.01 0.01 72 V E E 53.95 20.31 14.09 33.04 127.58 -163.70 -135.37 133.03 0.62 99.38 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.39 0.00 73 H E E 83.43 7.87 22.98 31.49 123.83 -171.40 -125.63 132.69 0.69 99.31 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.35 0.01 74 V E E 64.03 13.74 17.63 31.52 117.45 -152.32 -104.44 127.02 1.49 98.51 0.00 1.49 0.03 0.00 0.00 0.00 0.00 98.42 0.06 75 I E E 41.22 14.17 14.80 29.93 113.66 -164.33 -109.08 117.33 21.10 78.89 0.01 20.99 0.38 0.02 0.00 0.00 0.00 78.16 0.44 76 P C S 81.51 5.48 17.97 24.44 99.43 -146.75 -69.95 -31.33 82.14 17.81 0.04 28.27 51.76 0.88 0.00 0.05 0.00 18.73 0.31 77 R C S 153.35 3.60 19.34 23.37 112.98 4.05 -135.53 101.42 95.90 4.02 0.08 31.15 64.10 0.99 0.01 0.06 0.00 3.30 0.39 78 P C C 50.05 16.73 11.40 27.37 115.47 -137.21 -68.84 147.44 94.74 4.67 0.60 89.70 4.01 1.33 0.15 0.41 0.00 2.74 1.67 79 H C C 71.87 10.71 13.66 25.41 114.13 -114.28 -78.55 139.92 94.42 3.88 1.71 90.17 2.97 1.29 0.74 0.69 0.00 1.50 2.64 80 V C T 115.34 2.78 15.69 19.62 95.80 -129.12 -68.00 -26.12 80.81 0.81 18.38 7.75 12.15 60.73 9.87 8.47 0.03 0.42 0.60 81 N C T 95.35 4.00 15.35 20.34 96.40 53.92 -86.99 2.75 82.69 0.38 16.93 14.59 7.00 61.54 10.82 5.57 0.00 0.17 0.31 82 V H H 24.52 18.70 10.45 28.81 93.49 97.16 -63.87 -37.86 18.09 0.26 81.64 5.54 2.85 8.75 54.67 27.93 0.03 0.14 0.11 83 D H H 79.92 9.21 14.56 24.64 91.49 60.56 -65.62 -29.55 13.43 0.17 86.40 2.20 1.38 8.15 54.72 33.37 0.02 0.11 0.06 84 A H H 82.66 1.82 17.12 18.72 92.12 57.21 -73.98 -21.04 15.73 0.15 84.13 1.73 1.50 10.41 54.27 31.90 0.03 0.08 0.06 85 A H H 51.07 9.79 14.38 24.81 97.40 50.48 -87.72 -18.22 33.42 0.37 66.22 2.97 5.19 23.99 49.91 17.27 0.21 0.17 0.28 86 L C S 44.81 16.25 11.19 27.20 117.22 65.55 -110.20 119.52 96.52 1.17 2.31 19.78 74.81 2.11 1.63 0.47 0.00 0.36 0.84 87 P C C 78.54 5.60 16.70 23.49 107.97 -128.83 -70.69 131.21 92.68 1.93 5.40 76.62 6.59 9.25 1.51 3.98 0.00 1.12 0.94 88 L C C 96.07 9.73 12.76 23.06 110.59 -145.77 -87.42 123.61 89.82 3.41 6.77 39.78 18.04 32.15 1.44 5.25 0.00 1.69 1.65 89 G C C 46.26 5.22 14.68 21.20 111.56 17.99 96.03 3.68 92.93 2.87 4.20 40.98 22.04 29.86 0.69 3.78 0.00 1.55 1.10 90 R C C 138.29 6.51 13.00 20.98 115.18 -85.93 -95.55 132.41 93.26 3.67 3.07 62.86 24.82 5.28 0.89 2.26 0.00 1.66 2.23 91 T C C 75.57 6.78 11.62 20.00 118.26 -144.11 -98.25 138.98 96.20 1.54 2.26 73.00 20.76 2.45 1.21 1.00 0.00 0.67 0.90 92 P C C 93.11 4.84 12.10 18.60 108.94 -108.09 -66.86 142.72 80.97 1.18 17.85 45.49 12.10 23.55 6.74 10.89 0.00 0.63 0.60 93 G C C 51.06 4.10 12.17 17.73 105.36 14.37 53.65 6.27 75.71 1.41 22.88 36.64 14.62 25.04 8.68 13.56 0.00 0.68 0.78 94 M C C 108.83 6.27 9.91 17.56 106.78 107.63 -85.97 80.53 67.02 2.59 30.39 40.83 14.51 11.89 12.71 17.56 0.00 1.35 1.14 95 D C C 101.54 3.61 10.64 15.94 108.37 80.59 -86.06 105.25 67.05 3.86 29.09 44.28 11.86 11.01 14.13 15.00 0.01 2.24 1.46 96 K C C 140.75 3.71 9.03 14.52 106.26 106.07 -86.26 46.18 71.08 4.29 24.64 45.33 12.09 13.99 12.25 12.10 0.01 2.52 1.71 97 S C C 83.44 2.69 8.80 13.21 108.84 95.00 -87.89 107.39 85.01 2.27 12.71 75.02 1.74 9.98 6.91 3.95 0.00 1.31 1.07 98 A C C 81.33 3.48 10.77 15.93 106.12 -138.36 -83.38 67.63 99.93 0.05 0.02 99.83 0.08 0.05 0.01 0.00 0.00 0.02 0.01