# 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 103.47 8.06 12.58 21.73 114.09 -164.86 -91.96 129.75 99.86 0.13 0.01 99.82 0.08 0.03 0.00 0.00 0.00 0.06 0.02 1 A C C 75.39 4.49 11.04 17.17 113.92 -158.62 -93.22 130.36 88.74 8.22 3.04 84.43 1.24 3.60 1.12 1.25 0.00 5.74 2.63 2 A C C 76.12 4.63 9.37 15.75 112.72 -143.65 -90.35 127.66 86.28 9.84 3.88 55.84 17.57 12.88 0.93 3.05 0.00 7.63 2.09 3 T C C 97.70 3.50 10.82 16.16 114.42 -158.19 -97.61 128.97 85.18 11.00 3.82 58.66 17.52 8.80 1.02 3.04 0.00 8.08 2.88 4 V C C 85.23 7.18 9.68 18.44 117.33 -145.15 -97.39 132.40 93.05 5.70 1.26 66.23 25.82 1.49 0.66 0.57 0.00 3.57 1.66 5 P C C 81.78 4.93 11.86 18.47 112.87 -114.13 -70.05 148.67 88.87 3.06 8.07 73.87 8.81 6.27 3.92 4.08 0.00 2.01 1.05 6 A C C 75.92 4.64 11.44 17.77 106.47 -109.43 -73.46 131.32 73.24 2.70 24.07 45.16 13.00 15.07 8.50 15.56 0.00 1.49 1.21 7 T C C 85.07 5.62 11.29 18.37 111.40 61.85 -92.98 119.82 71.34 2.92 25.74 41.03 14.07 16.43 8.76 16.80 0.01 1.56 1.34 8 T C C 78.30 6.84 11.42 19.59 109.99 -158.73 -91.81 105.88 70.98 3.24 25.77 42.85 14.46 13.75 9.14 16.56 0.01 1.68 1.55 9 R C C 139.24 6.03 11.73 19.11 107.76 157.28 -88.65 75.98 75.11 3.06 21.83 40.46 19.27 16.00 9.00 12.10 0.02 1.39 1.75 10 S C C 70.46 5.34 11.80 18.56 108.78 117.77 -87.17 106.78 78.83 2.01 19.16 39.49 18.99 20.88 5.74 12.81 0.00 0.94 1.14 11 D C C 98.81 4.63 12.53 18.60 102.93 59.99 -88.75 19.55 78.17 1.94 19.89 37.43 19.34 21.94 4.56 14.76 0.00 0.90 1.07 12 Q C C 99.90 7.81 11.68 20.62 103.30 111.49 -83.53 21.99 79.72 2.17 18.11 37.13 23.20 19.77 3.28 14.47 0.00 1.05 1.10 13 T C C 89.90 4.24 15.75 21.07 106.30 74.55 -89.18 43.40 83.71 4.02 12.27 46.01 20.26 17.43 2.07 10.50 0.00 2.31 1.43 14 W C C 73.54 16.92 10.87 26.90 113.14 98.30 -87.95 128.87 86.81 8.62 4.57 62.47 16.88 7.20 0.78 4.33 0.00 6.29 2.05 15 D C C 83.85 6.33 19.90 26.75 99.52 -167.18 -87.29 -16.93 85.64 13.42 0.93 43.90 37.25 4.58 0.12 0.87 0.00 12.46 0.82 16 F E E 44.17 16.22 15.98 32.24 130.74 26.08 -135.62 144.86 25.43 74.22 0.35 19.40 5.89 1.11 0.05 0.33 0.00 72.35 0.86 17 S E E 48.67 11.64 20.22 32.10 131.52 -166.40 -134.96 147.69 6.21 93.77 0.02 5.40 0.55 0.05 0.00 0.01 0.00 93.81 0.17 18 C E E 18.67 19.13 16.27 35.50 133.64 -176.03 -139.84 149.48 1.15 98.85 0.00 1.02 0.07 0.01 0.00 0.00 0.00 98.87 0.03 19 N E E 76.37 8.63 22.66 31.94 121.41 -154.31 -116.94 128.42 0.62 99.38 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.42 0.01 20 L E E 16.01 21.72 16.62 38.21 123.56 -170.81 -121.43 133.62 0.45 99.55 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 21 D E E 64.58 9.23 24.57 34.18 118.66 -161.56 -111.86 125.45 0.55 99.45 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.45 0.02 22 V E E 7.89 23.26 17.02 40.57 120.00 -171.02 -121.09 125.25 3.30 96.69 0.00 3.20 0.08 0.00 0.00 0.00 0.00 96.63 0.09 23 S E E 50.65 7.04 25.73 33.31 111.33 -140.21 -83.33 124.85 20.64 79.35 0.01 17.76 1.95 0.08 0.00 0.01 0.00 79.92 0.27 24 F C C 16.80 22.67 11.72 33.81 127.99 174.09 -123.74 149.37 76.41 23.50 0.09 74.85 1.88 0.17 0.02 0.06 0.00 21.10 1.91 25 E C S 130.48 3.14 20.69 24.05 94.37 -130.98 -73.50 -26.51 99.67 0.29 0.04 15.44 83.68 0.65 0.01 0.02 0.00 0.15 0.05 26 S C S 41.26 4.47 21.22 26.05 139.95 2.58 -154.27 163.66 98.90 0.38 0.72 20.58 77.60 0.68 0.71 0.06 0.00 0.07 0.30 27 E H H 107.54 10.56 15.07 26.22 91.51 -104.98 -61.10 -35.68 1.14 0.00 98.86 0.09 0.16 0.78 98.49 0.48 0.00 0.00 0.00 28 E H H 124.47 2.48 21.80 24.04 91.60 53.92 -63.77 -41.03 0.59 0.00 99.41 0.04 0.04 0.45 98.99 0.48 0.00 0.00 0.00 29 H H H 51.40 14.25 19.49 33.61 92.02 48.20 -65.84 -40.19 0.19 0.00 99.81 0.02 0.01 0.12 99.49 0.36 0.00 0.00 0.00 30 A H H 3.13 23.72 15.79 40.05 90.78 51.91 -62.91 -42.49 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 31 L H H 77.79 6.36 25.65 32.37 91.44 51.26 -63.93 -41.67 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 32 I H H 52.03 9.11 25.28 35.00 91.44 50.14 -63.61 -43.32 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 33 A H H 1.06 26.94 19.80 47.25 91.27 49.96 -63.31 -43.49 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 34 Y H H 58.26 18.46 22.93 39.71 90.98 51.47 -61.74 -42.40 0.28 0.00 99.72 0.02 0.01 0.21 99.48 0.28 0.00 0.00 0.00 35 T H H 79.70 3.87 27.14 31.27 91.48 51.10 -64.82 -38.07 1.19 0.00 98.81 0.04 0.04 1.11 97.77 1.04 0.00 0.00 0.00 36 S H H 15.02 18.44 20.96 39.06 91.98 52.45 -68.35 -31.86 6.92 0.00 93.07 0.15 0.23 6.82 91.55 1.24 0.01 0.00 0.00 37 L H H 3.66 25.83 17.30 43.56 95.87 49.74 -89.36 -7.56 33.61 0.56 65.84 3.54 4.22 26.20 63.15 2.18 0.14 0.21 0.36 38 A C C 49.92 10.34 23.63 34.21 113.00 111.67 -78.14 131.43 87.23 5.05 7.72 51.71 30.72 4.34 7.06 1.25 0.01 1.80 3.11 39 V C C 47.94 18.64 14.52 32.09 115.42 -140.08 -85.46 135.90 83.13 7.92 8.95 70.44 7.77 3.96 6.59 2.61 0.00 3.36 5.26 40 D C C 65.05 9.93 14.97 25.86 109.58 -112.15 -77.57 125.82 87.87 2.95 9.18 77.95 5.83 4.36 4.73 3.97 0.00 1.40 1.76 41 K C S 150.89 3.49 14.96 20.13 96.76 -146.22 -76.22 -14.23 84.11 1.76 14.13 33.55 36.41 15.16 4.45 8.68 0.00 0.85 0.89 42 E C C 125.19 3.59 15.95 20.54 108.55 73.57 -84.62 99.85 84.45 2.47 13.07 43.79 27.99 13.06 3.86 8.84 0.01 1.21 1.24 43 L C C 59.93 15.77 10.39 25.44 112.99 82.68 -78.60 135.22 92.21 2.58 5.22 80.60 9.06 2.48 1.86 3.19 0.00 1.24 1.57 44 Q C C 80.84 7.98 15.05 24.33 108.48 -151.71 -102.28 102.54 97.65 1.56 0.78 91.48 5.33 0.82 0.29 0.40 0.00 0.67 1.01 45 P C T 80.01 9.06 12.14 22.50 94.82 -162.14 -62.81 -28.76 80.08 0.90 19.02 10.71 8.21 58.22 0.91 21.04 0.00 0.52 0.39 46 D C T 122.55 1.23 17.24 17.82 93.85 56.42 -75.26 -8.37 83.27 0.33 16.39 3.00 7.69 70.46 0.56 17.93 0.00 0.19 0.16 47 K C T 91.99 9.39 15.52 25.49 101.34 43.99 -102.59 -8.14 81.74 2.85 15.40 11.15 15.77 53.10 0.63 16.70 0.00 2.07 0.58 48 V E E 13.69 22.68 10.28 32.24 127.87 65.64 -123.39 142.45 34.31 65.58 0.11 29.19 4.26 0.35 0.03 0.08 0.00 65.09 1.01 49 R E E 122.38 4.92 23.68 29.18 123.05 -163.28 -119.55 136.82 7.46 92.50 0.04 6.57 0.43 0.05 0.01 0.01 0.00 92.78 0.15 50 R E E 72.09 20.51 13.67 32.68 126.26 -167.33 -124.03 136.33 2.10 97.90 0.01 1.87 0.08 0.01 0.00 0.00 0.00 98.02 0.02 51 V E E 71.58 5.78 23.52 29.77 121.61 -169.43 -121.74 129.67 0.64 99.36 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 52 M E E 47.60 21.07 12.92 32.74 124.60 -169.36 -123.28 133.67 0.68 99.32 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.36 0.01 53 S E E 51.02 4.28 24.18 28.76 133.89 172.45 -139.83 153.89 0.68 99.32 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.39 0.01 54 V E E 49.14 18.46 11.21 28.82 121.62 -149.60 -118.80 129.72 2.94 97.05 0.01 2.41 0.27 0.04 0.00 0.01 0.00 97.24 0.04 55 S E E 65.77 3.10 17.36 21.26 119.42 173.52 -131.26 120.00 12.35 87.54 0.11 9.04 2.59 0.62 0.02 0.10 0.00 87.24 0.40 56 N C T 129.66 1.45 16.84 18.04 98.18 -33.83 53.95 -11.46 99.36 0.38 0.26 0.54 11.69 87.20 0.01 0.25 0.00 0.27 0.04 57 N C T 74.65 12.97 14.08 27.05 97.33 -34.85 -61.01 16.84 99.65 0.17 0.19 0.49 11.14 88.04 0.00 0.19 0.00 0.12 0.01 58 K E E 78.58 9.11 20.71 30.89 124.71 99.35 -114.50 136.90 4.16 95.83 0.00 2.64 1.19 0.05 0.00 0.00 0.00 95.87 0.25 59 L E E 6.29 24.21 15.60 40.60 117.41 -153.23 -103.83 127.98 0.41 99.59 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 60 S E E 25.51 9.87 26.18 37.15 120.54 -164.68 -115.04 130.85 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 61 V E E 5.18 24.91 17.36 42.78 124.17 -172.02 -123.79 133.78 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 62 H E E 66.71 9.15 27.00 36.88 118.86 -164.11 -113.36 127.10 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 63 F E E 7.98 24.56 16.85 41.78 131.42 -172.60 -132.25 149.08 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 64 E E E 71.83 8.74 26.54 36.02 125.41 -164.20 -124.32 137.58 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.01 65 A E E 8.50 20.46 14.82 35.65 137.10 166.51 -145.11 158.68 14.23 85.77 0.00 14.27 0.22 0.01 0.00 0.00 0.00 85.23 0.27 66 I C S 100.36 5.37 21.13 27.22 95.01 -128.83 -77.72 -23.57 99.14 0.85 0.01 4.78 94.22 0.33 0.00 0.00 0.00 0.63 0.03 67 E C S 87.19 4.51 22.73 27.14 129.73 30.08 -132.53 149.24 98.03 1.73 0.24 27.15 70.95 0.44 0.17 0.05 0.00 0.56 0.68 68 A H H 37.14 16.35 13.89 30.13 92.05 -122.58 -60.74 -36.95 3.57 0.01 96.42 0.42 0.56 2.55 93.16 3.30 0.01 0.00 0.01 69 R H H 150.92 2.50 21.15 23.71 91.47 55.20 -63.09 -40.07 1.90 0.00 98.09 0.15 0.16 1.54 94.53 3.61 0.01 0.00 0.00 70 L H H 61.93 8.01 19.98 28.84 91.87 49.08 -66.36 -40.47 1.07 0.01 98.92 0.13 0.09 0.76 94.53 4.50 0.00 0.00 0.00 71 L H H 8.55 23.37 14.78 38.12 91.30 52.54 -63.22 -43.32 0.85 0.00 99.15 0.17 0.07 0.47 98.60 0.69 0.00 0.00 0.00 72 R H H 101.89 11.01 21.97 32.79 91.59 50.36 -62.96 -41.85 0.55 0.00 99.45 0.07 0.03 0.34 99.33 0.23 0.00 0.00 0.00 73 A H H 57.56 3.10 24.97 27.22 91.77 49.84 -64.60 -41.52 0.32 0.00 99.68 0.04 0.02 0.20 99.56 0.18 0.00 0.00 0.00 74 S H H 16.73 15.89 20.56 36.67 92.12 49.49 -64.95 -42.03 0.31 0.00 99.69 0.04 0.01 0.19 99.65 0.10 0.00 0.00 0.00 75 F H H 16.43 22.68 19.95 41.87 92.10 50.74 -64.38 -42.22 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 76 S H H 51.39 6.74 24.03 31.10 91.55 51.94 -63.41 -41.15 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 77 A H H 45.63 5.86 23.73 29.95 91.53 50.88 -64.64 -41.16 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 78 F H H 18.66 21.11 19.96 40.57 91.59 50.28 -64.39 -42.89 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 79 V H H 33.20 16.45 21.37 37.37 91.31 50.19 -63.35 -42.34 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 80 D H H 81.58 3.29 25.24 28.09 91.40 50.66 -63.59 -41.64 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 81 V H H 37.54 12.78 21.82 34.87 91.61 49.48 -64.66 -42.27 0.22 0.00 99.78 0.01 0.01 0.16 99.78 0.04 0.00 0.00 0.00 82 L H H 15.12 21.76 19.23 40.61 91.33 50.56 -63.84 -42.01 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 83 T H H 58.16 8.00 23.50 31.76 91.34 50.77 -63.37 -41.95 0.22 0.00 99.78 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 84 L H H 73.66 4.73 23.99 28.78 91.32 49.87 -63.61 -42.41 0.27 0.00 99.73 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 85 A H H 13.03 17.27 19.49 37.10 91.30 50.44 -63.46 -42.54 0.40 0.00 99.60 0.05 0.02 0.25 99.59 0.09 0.00 0.00 0.00 86 T H H 34.00 13.86 20.26 34.32 91.41 50.39 -63.45 -42.11 0.66 0.00 99.34 0.10 0.04 0.39 99.33 0.13 0.00 0.00 0.00 87 R H H 127.39 2.84 23.39 25.55 91.64 50.24 -64.01 -41.34 1.13 0.00 98.86 0.19 0.08 0.67 98.84 0.20 0.00 0.00 0.00 88 T H H 42.20 7.97 18.98 28.24 92.05 50.05 -64.63 -41.96 1.61 0.02 98.37 0.37 0.16 0.91 98.14 0.41 0.00 0.01 0.00 89 I H H 37.05 14.54 15.51 30.59 91.87 50.08 -64.75 -40.99 1.83 0.02 98.15 0.42 0.18 1.05 97.53 0.79 0.00 0.01 0.00 90 Q H H 97.70 5.54 16.54 23.02 92.14 51.36 -65.28 -37.60 4.14 0.03 95.83 0.62 0.33 2.95 94.68 1.40 0.01 0.01 0.01 91 E H H 126.82 2.02 16.36 18.29 93.11 51.15 -69.34 -31.22 10.87 0.04 89.09 0.84 0.78 8.97 88.07 1.29 0.02 0.02 0.02 92 F H H 108.35 6.30 12.97 20.55 98.80 44.25 -89.97 -7.70 35.95 0.34 63.71 4.80 6.01 25.43 61.62 1.70 0.08 0.11 0.23 93 G C C 38.90 7.40 12.11 20.62 106.25 58.07 -52.11 -1.76 71.96 1.17 26.87 34.23 12.28 25.99 20.50 5.81 0.01 0.51 0.68 94 Q C C 113.62 4.51 11.81 17.88 106.65 91.37 -82.23 100.04 69.57 1.24 29.18 35.53 13.43 21.11 17.81 10.80 0.01 0.58 0.73 95 K C C 140.38 3.27 11.68 16.51 107.56 -14.81 -86.47 96.13 70.37 1.39 28.24 40.43 11.43 18.71 16.86 11.10 0.01 0.66 0.79 96 H C C 117.54 5.64 9.62 16.92 110.31 138.18 -92.12 111.39 68.98 1.30 29.72 46.54 11.53 10.80 17.78 12.01 0.00 0.63 0.71 97 H C C 127.29 3.90 9.83 15.49 112.40 -155.97 -92.00 126.37 68.97 1.31 29.72 45.15 9.89 13.55 16.75 13.29 0.00 0.67 0.70 98 H C C 133.46 3.48 9.18 14.46 108.71 -155.75 -91.84 100.28 68.75 1.19 30.07 40.23 11.48 16.91 13.92 16.19 0.00 0.57 0.69 99 H C C 132.72 3.51 8.11 13.46 110.22 152.53 -92.18 110.29 73.42 1.21 25.37 44.83 12.07 16.68 10.51 14.63 0.00 0.61 0.67 100 H C C 143.31 2.51 8.10 12.44 111.13 -164.18 -95.58 111.32 84.97 0.92 14.11 70.96 2.96 12.75 5.80 6.52 0.00 0.52 0.49 101 H C C 139.66 3.26 9.87 15.00 112.55 -158.05 -96.52 118.77 99.81 0.05 0.14 99.48 0.19 0.22 0.05 0.02 0.00 0.02 0.01