# 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 120.59 4.23 10.12 16.11 116.50 -155.98 -94.80 137.72 99.86 0.11 0.04 99.67 0.17 0.07 0.01 0.00 0.00 0.05 0.02 1 G C C 50.84 3.09 8.64 13.44 112.54 -114.15 -76.47 151.46 90.77 1.51 7.72 83.92 1.35 6.75 1.25 5.24 0.00 0.80 0.69 2 R C T 188.50 1.11 8.62 10.58 101.25 -116.08 -82.33 -14.32 87.73 2.04 10.24 28.97 24.70 33.72 1.10 9.63 0.00 1.03 0.85 3 F C C 166.87 1.39 8.40 10.94 107.70 54.00 -93.30 78.17 85.46 3.45 11.08 36.94 21.02 27.53 1.42 9.88 0.00 1.78 1.42 4 K C C 105.30 5.76 7.23 14.81 118.23 119.67 -95.90 140.46 96.64 2.62 0.75 64.33 31.95 0.48 0.50 0.22 0.00 1.00 1.53 5 P C C 75.38 2.37 11.20 14.74 116.90 -111.78 -68.53 157.18 95.81 3.13 1.07 94.31 1.44 0.24 0.93 0.11 0.00 0.89 2.08 6 L H H 124.02 1.60 10.35 12.96 91.95 -109.83 -58.83 -38.08 1.66 0.01 98.33 0.42 0.27 0.79 98.27 0.25 0.00 0.00 0.00 7 A H H 71.33 1.29 12.35 13.45 91.68 52.55 -64.47 -40.48 0.85 0.00 99.14 0.13 0.08 0.52 99.00 0.27 0.00 0.00 0.00 8 V H H 69.29 3.14 11.89 16.54 92.02 48.17 -65.54 -41.14 0.33 0.00 99.67 0.06 0.03 0.18 99.51 0.22 0.00 0.00 0.00 9 K H H 104.27 3.36 12.81 17.52 91.67 51.29 -64.13 -41.13 0.16 0.00 99.84 0.03 0.01 0.08 99.82 0.06 0.00 0.00 0.00 10 K H H 123.72 1.43 14.87 15.66 91.61 49.97 -64.61 -40.85 0.28 0.00 99.71 0.03 0.01 0.19 99.73 0.04 0.00 0.00 0.00 11 K H H 112.96 1.90 14.68 16.47 91.92 49.84 -64.67 -41.63 0.44 0.00 99.55 0.05 0.02 0.30 99.56 0.06 0.00 0.00 0.00 12 Y H H 112.10 3.19 13.55 17.81 92.14 49.57 -64.69 -41.04 0.56 0.00 99.44 0.08 0.04 0.36 99.37 0.14 0.00 0.00 0.00 13 A H H 54.58 2.35 13.52 16.62 91.49 50.96 -63.69 -41.07 1.03 0.00 98.96 0.15 0.07 0.70 98.83 0.26 0.00 0.00 0.00 14 K H H 126.39 1.40 14.19 15.10 92.21 50.32 -65.59 -39.66 2.05 0.01 97.95 0.25 0.15 1.49 97.57 0.54 0.00 0.00 0.00 15 K H H 117.48 2.26 12.87 15.77 92.65 50.98 -66.01 -38.81 4.16 0.02 95.83 0.51 0.34 3.07 94.70 1.36 0.00 0.01 0.01 16 M H H 113.48 2.35 12.02 15.31 92.62 52.36 -67.43 -33.54 12.56 0.07 87.38 1.42 1.12 9.70 85.60 2.08 0.03 0.03 0.03 17 N H H 110.16 1.83 11.58 14.09 94.68 54.64 -77.28 -17.13 38.40 0.34 61.26 7.81 3.80 26.82 58.27 2.92 0.04 0.13 0.21 18 Q C T 119.98 2.72 9.87 14.18 100.47 77.34 -75.50 -9.21 62.98 1.00 36.01 16.07 11.14 36.05 32.26 3.47 0.05 0.38 0.59 19 N C T 126.50 1.55 10.23 12.64 101.00 60.14 -90.50 18.95 81.94 1.14 16.92 32.28 15.32 34.93 12.89 3.45 0.01 0.47 0.65 20 K C C 127.59 2.87 9.38 14.22 119.29 115.78 -99.48 139.23 97.51 1.89 0.60 60.76 35.96 1.11 0.33 0.22 0.00 0.78 0.84 21 P C C 105.44 1.98 11.46 14.73 114.14 -103.40 -67.29 146.76 93.64 5.66 0.69 86.82 5.73 0.76 0.43 0.22 0.00 2.04 4.01 22 V C C 82.81 7.26 7.79 16.64 115.51 -109.79 -80.61 138.39 95.39 2.28 2.34 86.70 7.73 0.97 2.02 0.39 0.00 1.01 1.19 23 P C C 71.64 4.07 11.11 17.01 112.10 -105.92 -64.21 142.31 83.26 1.99 14.75 75.70 3.69 3.38 13.89 1.53 0.00 1.06 0.76 24 Y H H 167.10 2.24 11.05 14.73 93.62 -129.89 -63.76 -31.40 26.87 5.95 67.18 11.92 7.56 10.01 56.71 7.50 0.21 5.17 0.91 25 W H H 160.81 2.10 11.59 14.54 93.18 60.25 -67.35 -32.73 15.02 13.92 71.06 7.12 3.19 6.48 60.70 8.14 0.22 13.34 0.80 26 I H H 76.10 5.30 10.21 17.39 94.25 54.26 -68.83 -36.78 8.21 19.48 72.31 4.47 1.51 2.85 62.81 7.38 0.09 20.33 0.57 27 R H H 121.57 4.52 10.68 16.87 94.57 57.47 -70.17 -33.23 9.33 29.79 60.88 5.03 1.53 2.84 55.47 4.82 0.08 29.46 0.78 28 L E E 101.77 3.05 10.46 14.75 100.15 57.13 -81.27 -15.54 14.75 46.39 38.87 8.10 2.36 3.92 37.88 3.30 0.10 42.81 1.54 29 R E E 151.49 2.85 9.28 13.64 106.31 71.91 -83.48 54.52 23.68 50.03 26.29 13.35 4.06 5.82 25.90 3.23 0.16 45.14 2.34 30 T C E 89.37 3.09 8.37 12.93 107.54 53.11 -105.51 74.81 38.51 37.67 23.82 14.22 8.41 16.55 21.15 4.28 0.68 31.01 3.69 31 G C T 64.24 0.69 10.81 10.90 101.24 -57.60 66.87 -12.24 93.22 0.77 6.01 8.88 16.55 68.21 3.51 2.06 0.00 0.48 0.31 32 N C T 130.41 1.64 9.20 11.92 99.58 -21.32 -89.13 14.24 95.81 1.11 3.08 10.74 24.47 61.12 1.08 1.55 0.00 0.77 0.28 33 R E E 162.74 1.58 10.33 13.02 117.97 114.21 -102.50 136.34 41.74 56.60 1.66 26.83 13.73 3.79 0.86 0.99 0.02 48.58 5.20 34 I E E 101.13 5.93 7.99 15.75 115.92 -137.67 -96.33 129.72 36.41 62.46 1.13 32.14 3.23 0.88 0.81 0.48 0.00 58.94 3.52 35 K C E 129.17 3.00 12.02 16.73 122.40 -170.43 -115.89 138.33 49.76 48.63 1.61 43.03 4.81 1.13 1.28 0.55 0.00 47.28 1.93 36 W C C 149.98 5.67 9.54 17.13 121.37 -137.72 -108.24 137.85 61.19 35.25 3.56 52.17 6.61 1.55 2.87 1.05 0.00 31.88 3.86 37 N C C 74.05 5.25 9.86 17.18 113.82 -153.04 -102.52 118.78 89.17 7.29 3.54 83.46 4.34 1.38 2.50 1.02 0.00 5.89 1.41 38 E H G 133.91 2.84 10.33 14.84 93.79 -153.63 -66.95 -26.58 45.65 1.14 53.21 12.66 7.92 24.22 25.50 28.48 0.05 0.66 0.50 39 K H G 153.79 1.08 11.74 12.82 93.02 61.45 -70.01 -25.20 44.02 1.13 54.85 9.63 7.67 25.46 27.32 28.63 0.13 0.59 0.58 40 R H H 126.80 4.25 9.72 15.62 97.56 56.62 -88.78 -3.12 41.53 1.59 56.88 21.20 8.65 11.79 29.31 27.52 0.03 0.85 0.64 41 R H H 122.37 5.38 9.97 17.07 100.28 90.43 -71.29 -30.29 48.92 1.46 49.62 32.06 8.74 8.97 39.11 9.73 0.02 0.73 0.65 42 H H H 115.48 3.04 11.37 15.54 102.01 64.83 -83.86 3.51 46.55 1.73 51.72 30.87 6.81 9.89 40.05 10.71 0.02 0.94 0.72 43 W H H 148.47 3.39 9.94 14.95 97.35 103.74 -70.47 -33.76 35.58 1.29 63.14 17.70 6.48 12.27 46.00 16.29 0.03 0.72 0.50 44 R H H 149.78 2.29 10.17 13.66 97.49 59.03 -76.53 -21.55 34.95 1.32 63.73 16.60 6.31 12.82 47.98 14.99 0.04 0.74 0.51 45 R H H 150.65 2.37 9.76 13.43 98.73 63.09 -78.20 -23.32 38.83 1.29 59.88 18.78 8.16 12.82 45.82 13.16 0.05 0.65 0.55 46 T H H 85.49 3.22 8.56 13.39 101.94 63.97 -82.70 -16.28 48.56 1.32 50.12 24.52 10.02 14.72 39.62 9.82 0.05 0.63 0.62 47 K C H 152.38 1.56 8.83 11.45 99.79 71.36 -80.04 -7.66 57.93 1.75 40.33 27.45 11.82 19.28 29.94 9.77 0.04 0.84 0.85 48 L C C 118.17 2.52 7.61 11.67 100.93 72.93 -84.06 2.02 69.26 2.05 28.70 29.71 13.76 26.58 19.13 8.76 0.03 1.04 0.99 49 N C C 131.87 1.28 9.53 11.80 101.06 -117.22 42.33 30.39 87.19 1.31 11.49 60.00 3.77 24.44 7.03 3.35 0.00 0.78 0.63 50 Y C C 146.67 4.36 9.35 15.40 106.26 129.06 -86.88 52.92 99.81 0.13 0.06 99.52 0.20 0.16 0.03 0.01 0.00 0.07 0.03