# 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 S C C 52.91 9.65 14.94 25.11 106.77 -146.53 -85.93 98.81 99.86 0.03 0.11 99.78 0.07 0.06 0.07 0.00 0.00 0.01 0.01 1 L H H 95.13 5.66 14.06 20.85 98.06 133.09 -70.81 -29.46 31.60 0.17 68.23 23.81 1.09 5.49 68.55 0.93 0.00 0.07 0.07 2 E H H 103.01 5.51 17.02 23.26 94.75 64.20 -67.18 -37.81 13.59 0.12 86.29 6.70 1.66 4.63 86.06 0.85 0.00 0.05 0.04 3 I H H 26.29 19.18 14.45 33.28 92.92 52.20 -65.27 -41.89 2.45 0.03 97.52 1.24 0.28 0.80 97.28 0.39 0.00 0.01 0.01 4 E H H 77.12 11.24 19.19 30.57 91.71 51.90 -63.28 -41.12 0.56 0.00 99.43 0.21 0.05 0.22 99.36 0.16 0.00 0.00 0.00 5 E H H 99.92 3.31 24.07 26.83 91.56 49.91 -64.85 -41.35 0.50 0.00 99.50 0.12 0.03 0.26 99.46 0.12 0.00 0.00 0.00 6 L H H 29.16 14.14 21.64 36.15 91.87 49.99 -64.14 -42.81 0.26 0.00 99.74 0.04 0.01 0.14 99.75 0.06 0.00 0.00 0.00 7 A H H 4.76 23.15 19.32 42.59 91.57 50.52 -64.02 -42.51 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 8 R H H 103.68 9.55 25.06 34.68 91.47 51.14 -62.97 -42.11 0.19 0.00 99.81 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 9 F H H 83.92 5.18 26.45 32.01 91.45 49.79 -63.51 -42.95 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 10 A H H 9.26 17.28 21.90 39.66 91.33 50.04 -63.50 -43.72 0.17 0.00 99.83 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 11 V H H 8.77 22.15 19.90 41.92 91.32 48.80 -63.77 -43.22 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 12 D H H 72.95 5.84 24.09 30.10 91.49 50.07 -63.64 -41.90 0.20 0.00 99.80 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 13 E H H 80.56 4.58 22.87 27.49 91.60 49.33 -64.51 -42.31 0.63 0.00 99.37 0.05 0.03 0.43 99.41 0.08 0.00 0.00 0.00 14 H H H 27.45 14.44 16.83 32.27 92.17 49.27 -65.11 -41.41 2.26 0.01 97.73 0.20 0.17 1.67 97.75 0.20 0.00 0.00 0.00 15 N H H 33.07 13.31 13.56 27.89 92.29 50.61 -65.32 -39.32 8.28 0.05 91.68 1.91 0.78 5.11 91.55 0.59 0.01 0.02 0.02 16 K H H 146.80 1.56 16.76 18.08 92.46 50.53 -65.49 -39.57 9.03 0.03 90.93 1.23 0.78 6.78 88.97 2.20 0.02 0.02 0.02 17 K H H 140.82 2.01 15.02 17.39 94.07 46.37 -71.11 -35.63 12.88 0.06 87.06 1.16 1.28 10.18 85.10 2.20 0.04 0.02 0.03 18 E H H 91.68 7.15 12.25 20.86 99.76 31.68 -100.79 1.93 37.41 0.16 62.43 3.20 5.33 28.42 60.09 2.72 0.06 0.05 0.13 19 N C T 133.85 1.27 16.98 17.86 94.10 -121.79 56.07 40.09 98.98 0.08 0.94 17.43 6.03 75.75 0.46 0.26 0.00 0.04 0.03 20 A C C 25.43 14.53 11.93 27.06 128.95 134.59 -121.25 156.27 96.88 2.63 0.49 80.83 14.23 1.97 0.14 0.34 0.00 1.87 0.62 21 L C C 79.79 6.76 23.02 30.23 104.49 -124.76 -86.68 56.62 91.35 8.51 0.14 82.09 7.89 0.74 0.02 0.12 0.00 8.72 0.41 22 L C C 11.76 24.70 13.22 37.63 120.86 131.59 -99.49 136.57 58.73 41.23 0.04 54.87 2.43 0.10 0.00 0.03 0.00 42.31 0.26 23 E E E 82.55 7.26 26.44 34.21 125.21 -171.10 -124.01 136.48 7.17 92.82 0.01 6.70 0.29 0.01 0.00 0.00 0.00 92.91 0.08 24 F E E 41.60 21.32 15.27 36.13 110.34 -118.25 -76.57 125.78 0.50 99.50 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.01 25 V E E 63.22 7.73 21.50 30.12 102.28 176.13 -96.30 -34.88 0.93 99.07 0.00 0.68 0.11 0.00 0.00 0.00 0.00 99.20 0.00 26 R E E 101.80 5.36 24.59 30.65 138.77 -5.20 -154.72 151.10 0.51 99.49 0.00 0.35 0.05 0.00 0.00 0.00 0.00 99.59 0.00 27 V E E 31.43 21.51 13.66 34.55 109.63 -124.80 -87.09 118.63 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 28 V E E 64.07 6.73 20.67 28.49 101.01 176.12 -94.35 -35.24 0.42 99.57 0.00 0.28 0.05 0.00 0.00 0.00 0.00 99.67 0.00 29 K E E 96.15 4.89 23.83 29.52 139.13 -1.47 -155.49 149.68 0.60 99.40 0.00 0.38 0.07 0.00 0.00 0.00 0.00 99.54 0.00 30 A E E 23.65 22.88 11.95 33.44 130.92 -173.79 -137.48 143.26 1.09 98.91 0.00 0.95 0.04 0.00 0.00 0.00 0.00 99.00 0.01 31 K E E 95.55 5.44 24.61 30.52 128.93 -174.33 -131.96 142.30 0.90 99.10 0.00 0.72 0.07 0.00 0.00 0.00 0.00 99.20 0.01 32 E E E 69.62 17.76 14.66 31.44 125.00 -158.01 -120.12 135.84 1.03 98.97 0.00 0.88 0.04 0.00 0.00 0.00 0.00 99.06 0.01 33 Q E E 71.10 8.21 19.42 28.78 125.47 -173.00 -127.27 138.11 2.01 97.97 0.01 1.78 0.08 0.01 0.00 0.00 0.00 98.07 0.05 34 F E E 93.74 11.11 15.42 27.37 119.57 -153.12 -105.31 131.74 8.52 91.38 0.10 7.47 0.65 0.12 0.03 0.05 0.00 91.40 0.28 35 N E E 53.96 9.35 14.23 25.34 122.70 -170.71 -118.81 138.71 30.79 68.78 0.43 26.16 3.11 0.71 0.11 0.27 0.00 69.08 0.56 36 Y C E 141.09 5.51 12.19 19.46 116.20 -156.53 -108.18 126.35 54.49 44.30 1.21 40.58 10.37 3.47 0.24 0.95 0.00 43.26 1.12 37 D C C 71.24 5.02 10.96 17.76 125.42 165.14 -120.44 162.97 80.95 15.56 3.48 45.54 20.45 15.40 0.54 3.08 0.00 13.62 1.37 38 Q C T 153.51 0.98 11.34 12.44 94.84 -88.48 -66.80 -25.01 92.42 1.70 5.88 23.55 30.43 38.53 0.75 5.19 0.00 1.04 0.52 39 W C T 186.89 1.87 11.32 13.83 103.19 34.21 -99.72 -9.34 90.06 3.51 6.44 21.07 30.92 38.57 0.83 5.50 0.00 2.25 0.86 40 Q C C 86.66 6.98 11.88 20.33 127.27 41.01 -129.86 144.99 70.60 25.71 3.69 35.32 21.55 15.21 0.57 3.14 0.01 22.40 1.82 41 D C E 70.74 8.17 14.46 23.85 117.78 -152.59 -105.59 130.73 54.77 43.84 1.38 40.99 8.30 4.48 0.22 1.18 0.00 43.90 0.93 42 Y E E 61.32 12.56 16.26 29.81 129.73 -134.00 -127.82 148.63 28.34 71.42 0.24 23.38 3.64 0.69 0.04 0.18 0.00 71.65 0.41 43 T E E 22.06 14.66 18.08 34.02 122.35 -145.69 -113.80 135.86 4.28 95.70 0.02 3.74 0.26 0.02 0.00 0.01 0.00 95.90 0.07 44 M E E 33.26 13.06 21.17 35.51 120.16 -161.87 -112.82 130.41 0.53 99.47 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.52 0.01 45 Y E E 17.84 19.92 18.89 39.18 122.35 -165.04 -115.43 134.25 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 46 Y E E 49.45 11.73 24.74 37.28 120.45 -162.20 -113.38 129.13 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 47 L E E 4.87 24.39 18.41 43.49 120.81 -163.78 -112.55 130.92 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 48 T E E 25.25 10.41 26.38 38.17 118.92 -160.87 -110.51 128.38 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 49 L E E 4.00 25.17 17.74 43.69 122.32 -167.99 -115.38 133.98 0.08 99.92 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 50 E E E 50.41 9.42 25.86 36.14 120.00 -161.51 -110.58 131.86 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 51 A E E 5.91 21.68 15.21 37.23 132.87 171.65 -133.85 153.49 0.37 99.63 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 52 K E E 89.73 7.26 19.68 27.94 119.15 -137.04 -112.53 130.03 1.91 98.08 0.01 1.51 0.18 0.02 0.00 0.00 0.00 98.26 0.03 53 D E E 48.11 12.90 10.93 24.36 117.61 173.80 -131.37 115.43 10.98 88.95 0.08 7.74 2.32 0.58 0.01 0.07 0.00 89.04 0.24 54 G C T 63.87 1.10 13.26 14.28 94.93 -27.04 60.64 24.60 99.48 0.23 0.29 0.99 7.71 90.79 0.01 0.31 0.00 0.17 0.03 55 G C T 66.79 0.62 12.38 12.06 96.70 -45.67 81.53 1.55 99.54 0.16 0.31 1.05 8.58 89.89 0.01 0.33 0.00 0.12 0.02 56 K E E 128.71 2.47 12.94 17.03 123.59 98.64 -110.34 142.53 11.73 88.25 0.03 8.27 3.47 0.21 0.00 0.02 0.00 87.59 0.42 57 K E E 118.94 8.01 11.83 21.50 116.24 -129.36 -92.41 132.81 5.69 94.30 0.00 5.09 0.18 0.01 0.00 0.00 0.00 94.68 0.04 58 K E E 71.20 10.32 15.89 27.46 129.49 -173.70 -128.41 145.73 2.52 97.48 0.00 2.18 0.09 0.01 0.00 0.00 0.00 97.71 0.02 59 L E E 75.04 9.76 19.74 30.22 118.95 -137.11 -101.57 133.43 1.07 98.93 0.00 0.93 0.03 0.00 0.00 0.00 0.00 99.03 0.01 60 Y E E 18.43 20.36 16.42 37.02 131.88 -175.82 -131.74 151.62 0.62 99.38 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.45 0.00 61 E E E 66.79 9.71 25.27 35.51 120.80 -139.79 -107.30 134.31 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 62 A E E 2.98 25.23 16.92 42.71 130.40 -171.71 -128.33 149.16 0.33 99.67 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 63 K E E 56.65 10.83 27.18 38.83 120.27 -148.66 -114.55 131.57 0.31 99.69 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.01 64 V E E 4.08 25.01 19.16 44.87 118.89 -156.68 -109.62 128.32 0.47 99.53 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.01 65 W E E 42.74 12.99 24.70 38.33 122.10 -166.66 -113.73 134.61 1.41 98.58 0.01 1.26 0.05 0.00 0.00 0.00 0.00 98.62 0.06 66 V E E 20.14 18.34 19.08 37.57 121.73 -161.33 -113.23 132.26 7.39 92.38 0.23 6.48 0.62 0.12 0.10 0.10 0.00 92.27 0.31 67 K E E 65.03 11.22 19.12 31.25 117.51 -154.95 -103.15 130.99 32.17 66.14 1.68 27.82 2.92 0.92 0.69 0.73 0.00 66.12 0.81 68 F C C 82.44 10.44 15.04 26.65 115.12 -145.72 -96.72 130.53 63.79 32.76 3.44 54.79 5.87 2.03 1.35 1.78 0.00 32.73 1.44 69 V C C 67.26 8.59 11.85 21.93 116.67 -157.00 -100.43 136.05 75.06 17.54 7.40 48.67 14.95 11.79 2.63 4.72 0.03 14.91 2.31 70 D C C 111.01 2.57 11.82 15.74 109.15 -137.15 -91.03 104.86 82.37 9.79 7.84 37.56 23.76 22.47 2.06 5.41 0.03 6.48 2.24 71 S C C 65.05 4.73 8.95 15.47 116.82 135.08 -104.95 149.92 89.66 2.80 7.54 32.99 30.98 26.33 1.55 5.54 0.00 1.41 1.18 72 A C S 92.53 1.51 10.46 12.81 97.73 -104.83 -73.45 -17.23 92.24 1.24 6.52 20.68 40.68 31.39 1.34 4.67 0.00 0.63 0.61 73 F C S 143.76 2.87 10.15 14.46 110.89 56.23 -98.76 102.85 86.33 6.21 7.45 28.45 40.14 18.72 1.85 5.00 0.01 3.83 1.99 74 E C C 115.01 5.01 11.95 18.49 112.61 -113.66 -88.55 127.70 80.51 11.09 8.40 54.83 15.03 10.75 2.40 6.12 0.01 8.30 2.56 75 T C C 64.64 10.14 10.91 21.87 111.12 -154.17 -87.55 125.16 76.55 15.06 8.39 54.21 11.48 10.68 2.33 6.27 0.01 11.70 3.32 76 E C C 100.64 7.37 15.02 23.49 112.93 -156.51 -93.56 126.42 72.68 20.74 6.58 47.90 15.09 10.19 1.70 5.07 0.02 16.95 3.08 77 N C C 74.71 10.07 15.50 26.23 105.51 -144.60 -94.75 71.25 73.32 23.79 2.89 52.13 12.89 7.48 0.54 2.59 0.00 22.72 1.65 78 F C C 66.85 13.16 14.95 28.63 116.90 158.46 -104.29 133.89 63.03 36.17 0.79 49.45 10.38 2.14 0.13 0.74 0.00 36.18 0.98 79 K E E 73.80 14.35 16.21 30.40 125.30 -169.72 -119.60 140.81 26.88 72.81 0.32 22.38 3.43 0.58 0.06 0.24 0.00 72.83 0.48 80 E E E 95.98 7.69 21.38 29.76 122.04 -152.97 -112.06 134.68 9.61 90.31 0.08 8.87 0.45 0.06 0.02 0.03 0.00 90.24 0.32 81 L E E 37.63 19.59 12.50 31.54 111.72 -119.73 -77.80 126.45 5.42 94.57 0.01 5.47 0.07 0.01 0.00 0.00 0.00 94.31 0.13 82 Q E E 92.15 5.84 18.94 25.88 102.07 176.53 -96.50 -33.13 8.63 91.36 0.01 6.05 2.24 0.05 0.00 0.01 0.00 91.59 0.06 83 E E E 93.26 4.65 21.89 27.21 137.02 -0.04 -151.98 150.66 2.12 97.87 0.01 1.68 0.21 0.02 0.00 0.00 0.00 98.04 0.05 84 F E E 55.11 20.70 10.69 29.94 122.60 -159.88 -124.19 130.18 4.08 95.91 0.01 3.95 0.14 0.01 0.00 0.00 0.00 95.11 0.79 85 K C C 110.90 4.33 18.38 23.82 123.13 -173.99 -123.21 136.38 71.02 28.97 0.00 70.96 0.22 0.01 0.00 0.00 0.00 28.58 0.23 86 P C C 83.03 7.00 15.44 23.66 113.22 -100.85 -65.77 145.95 99.79 0.21 0.00 99.55 0.26 0.03 0.00 0.00 0.00 0.14 0.01