# 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 101.38 8.69 12.61 22.25 116.96 -159.32 -95.43 132.54 99.90 0.09 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 L C C 104.29 5.66 11.79 19.04 114.37 -147.83 -94.27 129.04 89.56 9.85 0.58 87.39 1.55 1.32 0.28 0.21 0.00 5.25 4.00 2 D C C 89.47 6.82 12.45 20.84 115.27 -153.58 -104.83 118.67 89.11 10.53 0.37 64.45 23.98 1.12 0.16 0.22 0.00 7.58 2.48 3 P C C 49.12 11.08 12.61 24.79 115.49 -122.86 -71.02 151.28 93.50 5.70 0.81 84.62 7.70 1.36 0.41 0.34 0.00 4.16 1.42 4 S C C 53.14 4.86 19.07 24.31 115.02 -112.35 -77.19 151.48 91.36 6.99 1.66 88.37 2.20 0.61 1.48 0.23 0.00 2.25 4.86 5 I H H 49.63 16.97 11.67 28.15 93.22 -121.37 -61.51 -36.69 5.01 0.05 94.94 1.49 1.03 2.61 93.47 1.34 0.01 0.02 0.02 6 D H H 97.06 2.56 17.29 20.25 92.12 55.67 -63.89 -39.40 2.43 0.02 97.55 0.30 0.26 1.79 95.79 1.84 0.01 0.01 0.00 7 S H H 55.24 2.97 17.34 20.53 92.23 50.03 -66.12 -39.19 1.60 0.01 98.38 0.20 0.15 1.16 95.88 2.59 0.00 0.01 0.00 8 L H H 17.79 17.37 11.32 28.96 92.52 52.31 -65.70 -38.67 1.56 0.02 98.42 0.22 0.18 1.07 96.20 2.31 0.01 0.01 0.00 9 M H H 77.63 11.09 12.97 24.78 91.65 57.73 -65.72 -31.38 5.34 0.05 94.61 0.53 0.45 4.32 90.63 3.98 0.03 0.03 0.02 10 N H H 133.00 0.68 17.57 15.93 92.22 55.00 -72.34 -22.66 17.91 0.04 82.05 0.63 0.88 16.81 78.40 3.20 0.03 0.02 0.03 11 K H H 120.67 4.28 14.86 20.15 99.00 42.61 -89.60 -26.32 23.89 0.06 76.05 0.84 2.23 20.92 74.27 1.64 0.05 0.02 0.05 12 L C C 37.23 15.05 8.07 22.72 128.44 40.31 -128.62 150.53 80.99 0.90 18.11 52.31 19.39 6.66 19.77 0.81 0.01 0.21 0.85 13 D C S 129.56 0.79 16.53 15.88 95.58 -140.25 -76.63 -17.11 99.20 0.21 0.59 31.84 61.27 6.13 0.39 0.17 0.00 0.09 0.11 14 S C S 47.26 4.24 17.26 22.52 135.83 20.90 -145.64 160.06 97.01 1.03 1.96 38.37 56.76 1.67 1.79 0.25 0.00 0.22 0.94 15 K H H 103.56 11.60 13.91 25.90 92.55 -115.19 -61.89 -36.53 2.14 0.00 97.86 0.28 0.47 1.25 97.69 0.30 0.00 0.00 0.00 16 Y H H 140.43 4.28 18.81 23.42 91.57 54.34 -63.44 -41.66 1.21 0.00 98.79 0.14 0.12 0.86 98.56 0.32 0.00 0.00 0.00 17 T H H 49.61 6.56 19.90 27.56 91.81 48.90 -65.20 -41.38 0.29 0.00 99.70 0.06 0.02 0.17 99.54 0.21 0.00 0.00 0.00 18 L H H 15.31 19.22 16.72 36.07 91.47 51.41 -62.68 -43.31 0.08 0.00 99.92 0.01 0.01 0.04 99.90 0.04 0.00 0.00 0.00 19 V H H 42.46 13.25 21.52 34.77 91.57 49.50 -64.45 -42.63 0.07 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 20 T H H 63.79 4.66 25.59 29.91 91.45 49.63 -63.71 -42.66 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 21 V H H 28.81 11.90 23.23 35.94 91.53 48.83 -64.12 -43.03 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 22 S H H 6.98 21.11 20.30 41.34 91.25 50.41 -63.52 -42.64 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 23 A H H 35.97 10.13 23.53 34.01 91.42 51.22 -63.15 -42.29 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 24 R H H 120.93 3.50 26.78 29.98 91.46 49.54 -64.37 -42.01 0.15 0.00 99.85 0.01 0.00 0.09 99.89 0.01 0.00 0.00 0.00 25 R H H 47.85 14.52 22.38 36.70 91.79 49.43 -64.63 -41.87 0.19 0.00 99.81 0.01 0.01 0.10 99.86 0.01 0.00 0.00 0.00 26 A H H 9.79 19.03 18.08 37.32 91.47 51.73 -62.66 -42.62 0.21 0.00 99.79 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 27 R H H 119.87 3.92 24.15 27.62 91.46 50.33 -63.56 -41.58 0.46 0.00 99.54 0.05 0.02 0.30 99.52 0.11 0.00 0.00 0.00 28 E H H 80.85 4.60 21.67 26.54 91.64 50.09 -64.47 -40.44 1.39 0.00 98.60 0.13 0.08 1.04 98.47 0.27 0.00 0.00 0.00 29 M H H 19.07 16.16 13.94 31.08 91.84 50.97 -64.73 -40.83 4.27 0.02 95.71 0.73 0.39 2.91 95.24 0.70 0.01 0.01 0.01 30 Q H H 83.27 8.72 15.68 25.30 92.23 51.71 -66.02 -38.13 13.06 0.07 86.87 2.11 1.25 9.31 86.04 1.22 0.02 0.03 0.04 31 I H H 119.34 1.55 16.16 16.97 94.90 48.48 -73.40 -34.65 28.58 0.16 71.26 4.20 4.14 20.03 69.88 1.56 0.04 0.06 0.10 32 K C H 112.61 4.42 13.07 18.73 101.26 43.64 -93.58 -0.06 54.74 0.34 44.92 18.13 10.24 25.67 43.48 2.13 0.01 0.11 0.22 33 K C C 128.38 6.50 11.73 19.58 98.32 -150.56 -56.54 10.91 68.55 0.54 30.91 36.98 10.89 20.86 17.87 12.75 0.00 0.23 0.41 34 D C C 96.69 4.33 13.51 19.09 100.11 86.20 -80.23 13.41 61.65 0.64 37.71 29.00 11.61 20.48 15.71 22.44 0.01 0.29 0.46 35 Q C C 97.39 6.75 13.06 21.02 100.17 94.58 -81.23 -4.48 58.22 1.23 40.55 29.97 10.97 16.74 16.53 24.48 0.01 0.60 0.69 36 M C C 88.29 8.34 14.09 23.37 100.28 82.47 -81.41 -17.72 60.94 3.02 36.04 34.82 12.36 13.66 16.76 19.25 0.03 1.42 1.70 37 I C C 45.86 15.00 9.39 24.02 112.64 75.31 -95.24 112.86 74.33 2.33 23.34 53.91 12.61 7.74 14.63 8.56 0.00 1.03 1.52 38 E C C 144.88 1.91 15.54 17.77 96.20 -149.88 -73.53 -31.51 81.31 0.89 17.80 36.37 28.01 17.35 10.19 7.11 0.00 0.39 0.57 39 H C C 138.88 2.18 15.77 18.18 110.91 33.49 -113.09 72.48 82.01 1.10 16.89 32.38 31.99 18.36 8.50 7.57 0.00 0.49 0.70 40 T C C 51.32 15.06 9.13 23.39 112.53 -131.55 -83.02 127.05 84.51 1.42 14.06 70.34 7.59 6.82 6.94 6.78 0.00 0.79 0.73 41 I C C 113.15 4.16 15.25 20.55 103.36 -174.00 -97.23 -4.49 85.46 1.99 12.54 60.99 14.49 9.76 7.35 5.19 0.00 0.96 1.26 42 S C C 46.07 10.03 11.15 22.24 119.44 82.78 -99.19 147.22 86.72 1.41 11.87 54.52 19.46 12.81 6.53 5.06 0.00 0.61 1.00 43 H C S 143.44 3.53 15.22 19.80 97.68 -145.74 -82.63 -13.43 87.69 0.60 11.70 31.09 42.93 13.57 8.86 2.88 0.00 0.20 0.47 44 K C C 112.17 5.63 17.65 24.22 113.84 76.42 -92.44 119.86 81.93 1.14 16.94 41.27 31.33 8.74 15.34 2.19 0.01 0.32 0.80 45 Y H H 72.60 15.87 17.01 32.28 94.90 -131.06 -64.69 -37.39 7.79 0.08 92.13 2.88 2.16 3.08 91.17 0.64 0.01 0.03 0.04 46 V H H 33.92 18.04 19.30 36.45 92.78 52.77 -64.07 -41.18 2.96 0.01 97.02 0.59 0.35 1.83 96.76 0.45 0.00 0.01 0.01 47 G H H 21.13 8.09 22.87 31.84 91.50 51.19 -63.45 -41.83 1.85 0.01 98.14 0.47 0.18 1.06 97.89 0.38 0.00 0.01 0.00 48 K H H 64.72 9.63 24.74 34.91 91.79 49.51 -64.75 -41.83 0.19 0.00 99.81 0.05 0.02 0.09 99.76 0.08 0.00 0.00 0.00 49 A H H 4.01 22.70 19.78 42.68 91.69 50.97 -62.83 -43.75 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.03 0.00 0.00 0.00 50 L H H 36.28 15.25 23.87 38.83 91.39 50.01 -63.38 -41.85 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 51 E H H 77.03 5.30 25.57 31.09 91.49 50.46 -63.96 -42.31 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 52 E H H 25.80 13.07 19.99 34.25 91.69 49.40 -63.81 -42.72 0.11 0.00 99.89 0.01 0.01 0.07 99.87 0.04 0.00 0.00 0.00 53 I H H 19.14 19.72 16.04 35.76 91.84 49.02 -63.74 -43.72 0.26 0.00 99.74 0.01 0.01 0.21 99.65 0.11 0.00 0.00 0.00 54 D H H 88.17 6.59 18.31 25.75 90.82 50.51 -64.36 -33.87 2.43 0.00 97.57 0.05 0.06 2.40 97.31 0.18 0.00 0.00 0.00 55 A C T 68.12 3.49 17.12 21.19 91.06 53.49 -82.71 -8.04 78.86 0.01 21.13 0.16 0.60 77.31 21.60 0.32 0.00 0.00 0.01 56 G C T 48.86 5.17 15.81 22.38 93.64 -113.85 78.12 15.20 99.64 0.01 0.35 0.36 1.07 98.37 0.16 0.03 0.00 0.00 0.00 57 L C S 74.58 8.04 16.92 26.27 94.66 124.50 -82.10 -19.54 99.30 0.40 0.30 25.75 71.65 1.99 0.06 0.24 0.00 0.20 0.11 58 L C C 16.62 22.37 11.55 33.29 128.27 44.95 -124.76 143.15 67.78 31.42 0.80 37.95 29.82 2.61 0.19 0.72 0.01 25.72 2.99 59 S E E 55.50 5.43 23.56 29.61 130.85 -173.94 -131.14 151.29 44.35 55.43 0.22 41.46 2.53 0.30 0.06 0.16 0.00 53.73 1.77 60 F E E 71.05 18.32 12.97 30.32 121.20 -141.95 -110.03 134.17 38.76 60.96 0.28 36.59 1.80 0.27 0.12 0.15 0.00 58.72 2.36 61 E C C 98.66 5.42 16.19 23.00 122.99 -170.13 -118.10 140.49 54.26 45.15 0.59 50.45 2.61 0.49 0.22 0.34 0.00 43.84 2.05 62 K C C 129.95 5.65 11.33 18.80 111.94 -127.53 -82.05 129.04 64.34 28.67 6.99 55.95 5.03 2.93 1.83 4.85 0.00 27.58 1.81 63 E C C 118.57 4.64 10.32 16.61 110.17 -151.36 -89.01 115.71 77.30 4.75 17.94 42.49 19.20 15.81 2.58 15.42 0.00 3.70 0.79 64 D C C 108.47 2.77 9.04 13.30 106.37 -116.08 -86.68 67.11 78.08 3.26 18.66 42.99 17.24 17.51 2.70 16.56 0.00 2.21 0.78 65 R C C 157.99 3.17 8.18 13.18 106.95 124.78 -88.95 64.45 83.92 2.06 14.03 72.75 3.42 8.56 3.34 9.94 0.00 1.37 0.62 66 E C C 141.68 2.37 10.50 14.38 108.07 124.80 -84.43 107.95 99.84 0.06 0.10 99.59 0.14 0.18 0.04 0.01 0.00 0.03 0.01