# 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 81.21 9.24 12.44 22.77 117.78 -156.43 -93.67 139.42 99.81 0.12 0.07 99.61 0.17 0.10 0.04 0.01 0.00 0.05 0.03 1 S C C 54.88 4.56 13.43 19.31 115.77 -135.24 -85.68 152.89 80.53 2.22 17.25 74.82 1.83 3.92 15.69 1.56 0.00 0.83 1.35 2 W H H 122.16 9.38 9.67 19.91 94.48 -121.76 -64.77 -33.96 25.50 1.00 73.50 6.99 4.85 13.98 54.43 18.49 0.26 0.57 0.43 3 R H H 147.22 3.80 11.63 17.10 93.32 55.66 -67.42 -35.33 19.80 0.91 79.29 4.72 2.97 11.07 55.76 24.44 0.14 0.62 0.28 4 D H H 111.44 1.72 12.86 15.08 93.39 54.94 -72.91 -20.93 22.01 0.73 77.26 4.21 3.25 12.93 52.91 25.81 0.16 0.44 0.29 5 A C T 61.00 5.88 11.25 18.68 95.56 57.99 -85.01 -3.79 54.69 0.45 44.85 2.40 4.95 45.49 28.44 17.99 0.12 0.22 0.40 6 G C T 51.83 2.78 15.65 18.89 97.70 -102.50 84.84 8.02 98.40 0.18 1.42 6.22 5.48 86.98 0.73 0.43 0.00 0.10 0.07 7 I C C 46.88 13.54 9.07 23.10 116.49 131.11 -93.59 132.93 95.85 3.27 0.88 90.20 4.72 0.62 0.70 0.21 0.00 1.17 2.39 8 S C C 52.88 3.48 17.88 21.52 120.47 -140.59 -85.93 160.65 95.94 2.73 1.33 94.63 1.31 0.32 1.22 0.12 0.00 0.86 1.54 9 Y H H 123.25 9.46 13.02 23.38 92.12 -109.14 -58.62 -38.07 1.64 0.01 98.35 0.36 0.23 0.91 98.19 0.30 0.00 0.00 0.00 10 L H H 110.00 1.93 16.96 18.59 92.15 52.84 -64.63 -40.24 0.54 0.00 99.46 0.07 0.04 0.35 99.26 0.28 0.00 0.00 0.00 11 R H H 113.48 5.20 17.47 23.49 92.00 49.62 -65.72 -40.09 0.22 0.00 99.78 0.03 0.02 0.13 99.57 0.25 0.00 0.00 0.00 12 Y H H 45.67 15.36 14.66 30.34 91.70 50.82 -63.79 -42.56 0.11 0.00 99.89 0.01 0.01 0.07 99.85 0.06 0.00 0.00 0.00 13 L H H 71.06 7.50 18.60 26.92 91.55 50.02 -63.99 -41.32 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 14 S H H 56.47 3.01 20.92 23.42 91.80 50.56 -64.48 -41.41 0.13 0.00 99.87 0.01 0.01 0.09 99.89 0.01 0.00 0.00 0.00 15 I H H 45.25 10.45 19.14 30.55 91.82 49.25 -64.71 -42.74 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 16 V H H 31.38 14.93 17.89 33.10 91.79 50.09 -63.41 -42.45 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 17 T H H 63.11 4.99 21.02 26.31 91.55 50.57 -63.76 -41.90 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 18 R H H 124.62 3.13 21.95 24.66 91.99 49.92 -65.17 -41.48 0.23 0.00 99.76 0.02 0.01 0.16 99.79 0.03 0.00 0.00 0.00 19 C H H 25.95 13.14 17.46 31.49 91.64 50.03 -64.51 -42.64 0.37 0.00 99.62 0.04 0.02 0.24 99.64 0.05 0.00 0.00 0.00 20 I H H 55.44 11.42 17.98 29.80 91.75 50.25 -63.77 -42.42 0.75 0.01 99.24 0.12 0.05 0.46 99.24 0.12 0.00 0.00 0.00 21 H H H 105.31 2.49 20.38 22.05 91.89 49.71 -64.49 -41.36 2.04 0.04 97.92 0.38 0.16 1.32 97.81 0.29 0.00 0.02 0.01 22 E H H 82.34 4.75 17.91 23.50 91.99 49.51 -65.49 -40.11 5.12 0.11 94.78 0.99 0.52 3.48 94.20 0.71 0.02 0.05 0.03 23 V H H 33.23 13.18 12.12 26.22 92.52 51.02 -66.09 -39.62 9.41 0.33 90.26 2.75 1.26 5.58 88.82 1.29 0.03 0.17 0.09 24 Q H H 108.42 5.07 14.63 20.76 92.90 51.05 -68.72 -34.68 17.72 0.62 81.66 5.09 2.46 10.53 79.49 1.82 0.06 0.34 0.21 25 K H H 151.47 1.28 14.87 15.49 96.81 47.83 -78.22 -30.67 31.83 0.79 67.38 6.90 5.61 20.00 64.79 1.90 0.10 0.37 0.33 26 E C H 123.85 3.51 13.29 17.76 102.80 33.76 -95.60 -8.04 52.33 0.92 46.75 13.96 13.64 24.52 45.30 1.70 0.06 0.33 0.48 27 G C C 36.70 6.25 13.50 20.94 116.25 -129.29 90.62 172.72 94.65 1.14 4.21 58.02 21.28 15.47 2.32 1.84 0.00 0.66 0.42 28 P C C 74.90 6.99 14.43 22.46 107.28 -27.89 -74.43 139.46 88.78 2.84 8.38 66.60 10.02 12.24 3.75 4.54 0.00 2.02 0.84 29 L C C 72.90 10.60 12.85 24.02 103.73 -115.32 -81.63 28.86 80.76 9.10 10.14 65.08 7.53 8.10 5.18 4.91 0.00 7.04 2.16 30 L C C 80.21 9.23 13.63 23.52 103.03 81.57 -83.31 -3.26 74.12 13.97 11.90 59.34 8.83 5.47 7.88 4.44 0.01 10.64 3.37 31 T C C 69.10 6.81 13.46 21.37 115.63 65.59 -99.04 139.69 75.33 10.81 13.86 58.18 9.73 6.90 9.46 4.83 0.01 8.54 2.34 32 K C T 142.40 3.66 13.77 18.73 95.99 -110.35 -70.79 -28.26 69.69 5.72 24.59 23.52 15.24 31.73 15.71 8.23 0.07 4.13 1.36 33 N C T 109.54 3.74 14.06 18.77 97.47 43.72 -84.40 0.89 70.13 5.42 24.45 23.30 14.59 33.10 15.13 8.58 0.07 3.98 1.24 34 V C C 58.11 11.66 10.58 22.69 108.70 97.53 -88.51 103.68 60.68 15.83 23.49 41.17 11.61 7.68 16.44 7.72 0.07 12.18 3.14 35 R C C 134.95 5.52 15.36 21.89 112.02 -163.10 -93.91 128.20 55.46 21.81 22.73 40.57 7.56 6.58 16.78 6.75 0.06 17.82 3.87 36 F C C 99.46 10.75 12.32 23.34 105.23 62.45 -84.39 36.47 50.50 20.15 29.35 34.52 8.27 7.87 19.04 10.54 0.11 16.00 3.65 37 S C C 64.05 6.41 14.75 22.22 103.60 68.13 -88.49 -5.43 58.45 13.15 28.40 30.63 14.13 14.48 16.37 11.60 0.15 10.56 2.08 38 T C C 78.03 6.80 15.22 22.93 106.58 50.95 -93.93 36.35 58.87 14.43 26.70 25.02 16.25 19.35 13.45 12.16 0.31 11.12 2.33 39 I C C 76.66 10.64 13.15 24.50 116.21 73.03 -98.85 132.71 61.12 21.90 16.99 28.35 16.42 18.43 8.26 8.05 0.31 17.23 2.95 40 G C E 32.20 8.34 16.34 25.49 118.76 -46.37 148.51 51.82 63.60 31.21 5.20 27.93 18.63 19.11 1.47 3.19 0.03 27.99 1.65 41 W E E 111.39 10.90 13.46 25.08 123.72 -106.24 -114.81 139.92 36.16 61.18 2.66 26.00 8.26 3.46 0.92 1.63 0.00 58.20 1.53 42 K E E 103.24 8.56 15.14 24.93 123.57 -165.94 -119.43 138.77 16.44 82.05 1.51 12.39 3.36 1.38 0.53 0.83 0.00 80.88 0.63 43 S E E 47.03 9.57 14.25 25.09 128.99 -166.41 -129.73 146.86 8.02 91.32 0.65 6.86 0.86 0.30 0.23 0.32 0.00 91.13 0.30 44 L E E 78.80 9.00 12.86 23.29 123.37 -155.62 -118.66 136.92 4.21 95.64 0.15 3.78 0.29 0.06 0.06 0.05 0.00 95.55 0.19 45 Y E E 114.00 5.65 13.39 20.82 124.69 -164.56 -119.69 143.81 3.52 96.41 0.07 3.06 0.29 0.07 0.02 0.03 0.00 96.38 0.14 46 L E E 97.52 5.51 9.31 16.85 115.86 -134.14 -96.63 128.51 7.12 92.75 0.12 6.18 0.62 0.15 0.04 0.06 0.00 92.62 0.34 47 D E E 90.11 3.52 8.86 14.49 120.52 175.45 -131.67 125.12 18.38 81.24 0.37 12.09 5.00 2.09 0.07 0.31 0.00 79.44 0.99 48 H C T 179.77 0.36 10.23 9.47 94.49 -16.10 52.87 41.62 99.05 0.50 0.44 1.63 12.20 85.24 0.02 0.45 0.00 0.38 0.08 49 G C T 65.09 0.75 9.75 10.54 95.61 -50.50 80.71 1.98 99.37 0.24 0.39 1.67 14.57 83.12 0.02 0.41 0.00 0.18 0.04 50 A E E 67.50 2.36 10.10 14.20 124.47 103.34 -111.92 149.23 19.59 80.30 0.11 12.54 7.67 0.75 0.03 0.09 0.00 77.44 1.48 51 T E E 85.22 5.53 9.24 16.74 114.59 -116.02 -83.39 134.48 8.68 91.29 0.04 7.75 0.64 0.09 0.01 0.02 0.00 90.76 0.72 52 K E E 104.35 5.63 12.18 19.68 125.14 -168.60 -119.21 149.88 18.86 81.07 0.07 16.43 1.64 0.22 0.01 0.04 0.00 81.38 0.28 53 E E E 131.10 3.01 15.06 19.31 114.87 -108.59 -82.24 137.85 20.72 79.16 0.12 18.12 1.70 0.24 0.03 0.07 0.00 79.58 0.27 54 Y E E 81.78 14.27 10.21 24.38 125.33 -161.81 -118.31 145.75 15.95 83.85 0.20 14.95 0.77 0.18 0.07 0.09 0.00 83.53 0.42 55 T E E 73.20 6.05 18.27 25.42 122.05 -156.42 -116.54 136.90 7.83 91.97 0.21 6.94 0.79 0.20 0.08 0.09 0.00 91.42 0.47 56 A E E 45.74 12.80 14.64 27.87 116.68 -129.20 -85.93 136.26 12.70 86.97 0.33 10.98 1.65 0.31 0.15 0.15 0.00 85.93 0.83 57 I E E 48.64 11.26 14.69 27.48 119.62 -158.10 -109.21 129.91 43.19 56.39 0.42 40.37 2.00 0.26 0.19 0.18 0.00 56.12 0.88 58 P C C 60.34 7.10 16.05 24.55 113.44 -109.41 -66.65 147.61 59.66 35.99 4.35 53.76 3.45 1.85 1.51 2.56 0.00 35.06 1.81 59 A C G 58.71 9.20 12.30 22.42 97.83 -120.71 -67.46 -26.63 58.63 3.96 37.41 20.49 14.95 24.93 7.53 28.31 0.05 2.71 1.04 60 E C G 125.03 3.51 14.55 19.02 103.80 65.99 -85.77 31.52 53.74 6.23 40.03 22.46 10.85 22.75 8.38 29.63 0.05 4.35 1.54 61 L C G 81.12 9.69 9.91 20.28 103.29 84.05 -85.01 10.45 49.71 5.54 44.75 33.26 9.54 8.45 8.95 34.87 0.01 3.71 1.20 62 E C C 122.60 4.39 12.71 18.58 105.77 93.49 -81.31 44.16 64.33 6.01 29.66 37.35 15.02 12.86 8.56 20.64 0.02 3.88 1.68 63 K C C 143.17 2.95 13.97 18.01 108.97 53.07 -87.74 99.39 67.32 7.00 25.69 40.22 14.65 13.45 7.19 17.86 0.03 4.28 2.33 64 I C C 61.56 12.87 8.55 21.37 115.92 -146.37 -91.79 133.33 92.17 2.38 5.45 65.13 25.15 1.94 4.56 1.10 0.00 1.12 0.99 65 P C C 71.10 4.68 13.09 19.31 111.58 -108.85 -66.87 149.95 87.19 1.24 11.57 80.70 3.12 3.70 9.20 2.12 0.00 0.68 0.48 66 E C H 138.66 3.35 12.37 17.18 97.68 -113.05 -66.83 -28.10 52.45 1.59 45.96 20.96 12.80 20.00 34.83 9.76 0.08 0.82 0.74 67 N C H 100.89 4.20 12.25 17.68 99.96 51.83 -79.61 4.93 49.98 1.87 48.15 23.76 9.72 17.92 37.83 8.90 0.07 1.05 0.75 68 Q H H 90.29 6.05 12.53 19.98 100.44 97.45 -77.06 -22.01 36.68 2.98 60.34 25.81 6.27 6.51 51.19 7.49 0.03 1.93 0.77 69 V H H 69.16 6.87 12.26 20.48 100.40 67.11 -74.82 -33.03 26.92 4.55 68.53 19.15 4.69 5.69 60.11 5.90 0.05 3.54 0.87 70 A H H 56.43 5.70 11.76 18.97 99.52 58.92 -72.54 -30.08 26.74 4.04 69.23 18.36 4.40 6.26 60.39 6.49 0.04 3.38 0.70 71 Q H H 113.94 3.35 11.45 16.07 99.66 58.97 -76.20 -21.93 29.21 3.59 67.20 18.23 5.14 8.13 58.01 6.89 0.05 2.77 0.77 72 Q H H 121.02 3.00 10.57 14.83 100.03 62.08 -77.62 -17.05 35.22 2.95 61.83 19.56 6.77 11.29 53.36 6.17 0.08 1.95 0.84 73 H H H 132.98 3.24 9.16 13.87 102.38 63.68 -85.15 0.27 48.24 3.19 48.57 25.30 8.25 16.46 42.09 4.87 0.07 1.84 1.12 74 H C C 135.89 3.03 8.08 12.75 107.05 79.90 -91.15 68.10 69.27 2.16 28.57 50.06 1.85 16.25 27.09 2.59 0.00 1.16 0.98 75 A C C 76.45 3.93 10.55 16.19 108.52 -152.48 -83.03 113.05 99.85 0.08 0.07 99.63 0.13 0.13 0.05 0.00 0.00 0.04 0.01