# 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 121.03 4.44 10.74 16.79 114.94 -151.32 -91.17 135.44 99.73 0.16 0.10 99.50 0.19 0.12 0.05 0.01 0.00 0.08 0.04 1 A C C 79.64 2.89 9.14 13.79 112.94 -130.06 -83.03 141.65 90.40 5.04 4.55 86.67 1.42 2.74 3.71 0.64 0.00 2.89 1.92 2 K C C 136.68 3.29 8.44 13.71 115.74 -123.71 -91.05 138.30 86.10 8.21 5.69 67.43 15.42 2.45 5.17 1.04 0.00 3.67 4.82 3 S C C 54.62 4.08 9.34 15.38 117.64 -117.89 -77.44 157.78 88.84 5.86 5.30 83.78 3.90 0.98 5.23 0.55 0.00 2.40 3.17 4 Q H H 134.32 1.37 12.15 13.85 92.93 -113.91 -61.84 -36.18 3.07 0.03 96.90 1.32 0.66 1.03 96.66 0.31 0.00 0.01 0.01 5 A H H 55.64 3.81 11.55 16.91 92.35 52.65 -64.84 -40.63 1.23 0.01 98.76 0.30 0.15 0.64 98.65 0.24 0.00 0.00 0.00 6 K H H 107.68 4.02 12.70 18.09 92.34 49.79 -65.35 -40.12 0.65 0.01 99.34 0.16 0.07 0.35 99.16 0.24 0.00 0.00 0.00 7 K H H 116.49 2.01 14.61 16.73 92.15 50.55 -64.62 -40.99 0.45 0.00 99.54 0.11 0.04 0.24 99.51 0.10 0.00 0.00 0.00 8 K H H 115.02 2.12 15.95 17.93 92.03 49.67 -64.79 -40.86 0.56 0.00 99.43 0.10 0.04 0.33 99.45 0.07 0.00 0.00 0.00 9 R H H 94.03 5.81 13.95 21.29 92.19 50.26 -65.15 -40.79 0.67 0.00 99.33 0.10 0.05 0.42 99.35 0.08 0.00 0.00 0.00 10 G H H 30.39 3.91 14.72 20.03 91.49 51.73 -63.37 -41.06 1.61 0.01 98.38 0.27 0.11 1.06 98.37 0.18 0.00 0.00 0.00 11 H H H 109.41 1.66 16.03 16.96 92.20 50.32 -65.18 -40.83 2.57 0.02 97.41 0.49 0.23 1.75 97.21 0.30 0.00 0.01 0.01 12 R H H 107.34 3.76 13.05 18.14 92.51 50.68 -65.70 -40.59 3.02 0.05 96.92 1.17 0.40 1.56 96.22 0.60 0.00 0.02 0.02 13 L H H 84.01 5.71 11.06 18.30 92.58 50.63 -65.72 -39.65 3.82 0.06 96.11 1.24 0.43 2.15 95.12 1.00 0.00 0.03 0.02 14 R H H 180.52 1.07 12.04 13.16 92.36 51.94 -67.77 -27.75 9.45 0.08 90.47 1.10 0.77 7.61 89.36 1.05 0.03 0.03 0.04 15 N C T 121.61 1.03 11.46 12.26 94.51 51.96 -87.66 -1.35 66.93 0.10 32.97 1.28 2.60 60.66 34.33 1.02 0.01 0.03 0.07 16 G C T 59.14 1.44 11.88 13.85 98.35 -99.01 86.44 7.35 89.70 0.17 10.13 4.57 6.66 77.77 10.12 0.69 0.00 0.06 0.12 17 G C C 39.09 4.55 10.05 16.64 120.31 133.49 -84.34 159.43 98.72 0.84 0.44 71.20 24.88 2.66 0.14 0.27 0.00 0.37 0.47 18 R C C 143.21 4.58 12.83 19.21 116.25 -103.64 -86.26 138.12 97.09 2.48 0.44 88.10 7.88 0.83 0.17 0.22 0.00 0.89 1.90 19 D C C 53.90 8.74 11.82 22.42 110.51 -133.94 -93.51 116.50 98.94 0.81 0.25 97.84 1.01 0.12 0.14 0.04 0.00 0.21 0.65 20 V H G 73.34 6.98 12.52 21.49 92.96 -154.02 -65.55 -25.80 33.98 0.26 65.76 3.18 2.77 26.66 25.13 41.92 0.03 0.16 0.15 21 L H G 95.38 5.79 12.47 19.70 92.54 65.96 -68.38 -26.62 28.80 0.37 70.83 2.41 2.49 22.82 25.94 45.87 0.06 0.21 0.20 22 L H G 114.32 2.97 12.81 16.80 95.78 60.17 -76.32 -16.19 23.67 0.48 75.85 3.18 3.03 16.95 24.14 52.20 0.03 0.29 0.17 23 S H G 79.68 2.74 11.61 15.45 100.58 50.66 -97.99 7.11 45.62 1.29 53.09 9.75 7.12 27.84 22.12 31.61 0.08 0.66 0.83 24 R C C 125.42 7.07 7.77 16.11 110.77 107.67 -85.39 128.57 76.18 8.32 15.50 46.45 15.64 13.45 7.22 7.39 0.04 2.62 7.19 25 G C C 50.91 2.41 10.62 14.42 117.94 96.06 -92.82 -173.66 93.72 3.56 2.71 54.01 21.87 17.84 0.52 2.25 0.00 1.67 1.84 26 S C S 99.65 0.78 10.49 11.14 102.36 -45.89 -84.44 -0.51 96.71 1.80 1.49 27.39 52.48 16.79 0.17 1.48 0.00 0.98 0.72 27 T C C 85.60 3.44 7.14 12.54 112.83 83.16 -101.52 118.78 94.53 4.36 1.11 59.04 32.42 2.70 0.28 0.86 0.00 1.49 3.21 28 P C T 109.87 1.97 7.97 11.69 100.90 -150.31 -68.41 -17.10 94.03 1.00 4.98 19.03 12.00 62.28 0.55 5.08 0.00 0.56 0.51 29 S C T 100.54 0.58 9.33 9.52 99.19 58.26 -87.28 2.15 93.22 0.98 5.80 13.64 14.52 64.35 0.69 5.79 0.00 0.60 0.41 30 F C C 135.17 3.47 7.06 12.51 118.41 90.92 -100.85 135.41 88.14 5.48 6.38 49.04 30.29 7.83 1.46 5.14 0.00 2.00 4.25 31 S C C 75.12 2.64 8.91 13.25 111.92 -135.17 -95.52 119.99 94.58 3.40 2.03 85.18 7.56 1.67 1.14 0.79 0.00 1.51 2.15 32 T C C 102.25 3.14 8.43 13.57 96.58 -159.34 -79.34 -9.71 79.72 3.26 17.02 32.83 19.66 28.16 6.98 9.26 0.01 1.82 1.28 33 H C T 153.68 1.27 10.09 12.06 99.45 73.34 -79.42 -12.50 72.56 9.31 18.13 26.11 20.33 27.73 7.86 9.19 0.20 5.64 2.93 34 G C C 48.69 3.45 9.41 14.41 104.12 61.62 -84.90 8.29 72.23 11.56 16.20 42.55 15.87 13.99 7.35 8.98 0.04 8.06 3.16 35 R C C 145.89 4.50 8.96 15.33 113.79 100.96 -88.32 131.00 75.29 14.87 9.83 60.28 9.82 3.94 7.32 3.21 0.01 9.99 5.42 36 M C C 133.29 2.67 10.83 15.24 117.60 -150.04 -97.95 134.77 79.14 14.61 6.25 66.24 9.50 2.47 5.43 1.56 0.01 8.56 6.23 37 T C C 81.51 5.84 9.49 17.19 119.63 -140.48 -95.54 143.95 88.29 7.17 4.54 77.91 8.22 1.73 4.37 0.83 0.00 4.39 2.54 38 K C C 114.09 4.85 11.44 17.98 115.94 -108.28 -73.71 150.08 89.90 3.44 6.67 73.83 13.12 2.24 6.90 0.80 0.00 1.78 1.34 39 S C C 53.97 3.81 12.49 17.69 119.22 -114.75 -77.39 163.12 88.62 3.73 7.64 78.26 7.93 1.59 7.98 0.70 0.00 1.32 2.22 40 K H H 131.37 4.08 11.30 16.96 91.94 -105.17 -59.75 -37.48 5.62 0.10 94.28 2.58 1.27 2.04 92.99 1.05 0.00 0.05 0.03 41 K H H 139.99 1.58 13.31 15.07 92.27 52.90 -65.23 -40.23 3.30 0.09 96.62 1.13 0.52 1.73 95.11 1.43 0.01 0.06 0.01 42 E H H 91.99 2.88 12.94 16.94 92.00 50.26 -65.31 -39.82 2.38 0.11 97.51 0.89 0.36 1.26 95.54 1.84 0.01 0.09 0.01 43 I H H 73.03 4.56 12.28 18.66 92.44 50.77 -64.85 -41.03 2.66 0.10 97.24 0.90 0.39 1.43 95.72 1.47 0.01 0.07 0.01 44 L H H 82.02 3.69 12.74 17.80 92.28 51.58 -65.33 -39.82 6.12 0.14 93.74 1.70 0.75 3.63 92.33 1.45 0.02 0.09 0.03 45 N H H 92.86 2.54 13.27 16.41 93.26 51.69 -68.63 -34.11 18.22 0.25 81.53 4.69 2.19 11.48 79.36 2.01 0.04 0.13 0.10 46 K H H 121.70 3.57 12.01 16.90 95.10 62.11 -70.15 -30.81 30.21 0.71 69.08 12.14 5.20 14.61 64.15 3.17 0.06 0.32 0.35 47 R H H 142.99 3.48 12.06 16.70 99.83 54.29 -82.75 -17.90 38.81 1.63 59.57 18.58 7.01 15.45 53.13 4.21 0.07 0.77 0.78 48 K C H 129.73 3.37 11.01 15.68 101.23 63.14 -79.69 -12.13 54.45 2.21 43.34 17.30 10.93 27.54 36.50 5.45 0.15 1.05 1.07 49 H C T 124.32 3.64 10.29 15.40 103.14 38.57 -88.57 30.97 70.34 2.85 26.81 27.50 13.28 30.42 20.96 5.02 0.08 1.20 1.54 50 K C C 129.30 3.60 10.17 15.38 101.87 118.83 -83.68 -4.15 87.18 3.60 9.22 44.86 31.23 11.50 5.58 3.16 0.01 1.40 2.26 51 N C C 89.13 4.37 9.91 15.99 110.77 43.43 -103.77 109.91 93.25 2.60 4.16 61.16 26.13 5.67 1.49 2.76 0.00 1.11 1.67 52 P C C 86.70 4.53 9.60 15.98 100.11 -149.00 -68.38 -7.27 77.12 1.97 20.91 42.77 12.30 21.98 4.38 16.57 0.00 1.04 0.97 53 Y C T 167.49 2.32 9.84 13.44 101.04 66.33 -86.32 -5.29 72.65 3.30 24.05 27.21 18.79 28.02 5.19 17.46 0.03 1.55 1.76 54 D C C 88.01 3.76 9.01 14.44 107.37 73.69 -96.21 88.31 73.39 3.92 22.69 40.34 16.74 16.66 5.82 16.34 0.01 1.83 2.26 55 H C T 141.31 2.96 8.49 13.26 99.14 162.02 -78.77 -7.28 76.69 1.68 21.63 22.63 16.28 38.59 6.67 13.99 0.02 0.80 1.02 56 T C T 110.95 1.25 10.33 11.93 100.73 67.56 -87.44 -1.58 78.80 1.94 19.26 19.71 18.81 41.11 6.06 12.22 0.02 0.95 1.11 57 A C C 67.27 3.91 8.32 14.07 113.85 94.10 -91.84 138.08 80.19 4.92 14.90 42.77 22.88 14.97 4.33 9.98 0.02 2.38 2.68 58 V C C 103.00 3.73 9.06 14.59 113.33 -149.32 -97.41 129.35 84.83 7.00 8.17 56.03 17.62 10.90 3.13 4.94 0.01 3.64 3.73 59 D C C 89.85 4.15 9.87 15.67 113.23 -147.22 -95.23 130.79 84.66 5.79 9.54 52.84 15.11 16.62 2.46 7.14 0.00 3.16 2.68 60 D C T 106.60 3.78 10.25 15.67 98.62 -141.05 -81.21 -0.75 81.86 2.76 15.38 29.25 21.26 31.91 2.47 12.50 0.01 1.43 1.17 61 K C T 140.26 2.84 11.42 15.54 101.62 81.02 -86.41 2.09 78.25 4.22 17.52 25.69 23.08 30.67 2.57 14.14 0.01 2.39 1.44 62 D C C 82.54 5.75 10.25 17.67 117.86 89.45 -105.34 137.89 69.97 16.15 13.88 39.06 18.18 14.10 2.81 11.00 0.04 11.39 3.43 63 F C C 118.79 6.19 10.87 18.71 118.60 -154.46 -107.71 132.71 59.14 35.33 5.53 39.27 14.12 5.92 2.28 3.69 0.07 26.49 8.16 64 F C C 127.61 5.54 11.25 18.35 116.14 -153.67 -102.02 127.76 59.91 37.42 2.67 38.76 17.57 3.87 1.33 1.69 0.04 28.38 8.35 65 V C C 91.74 4.99 10.48 17.44 118.26 -166.38 -112.67 125.72 71.04 26.64 2.33 54.04 15.03 2.04 1.27 1.21 0.01 22.16 4.23 66 P C C 83.91 4.95 10.06 16.89 113.67 -120.01 -71.40 148.32 73.30 15.60 11.09 59.12 7.82 6.40 5.05 5.62 0.01 13.58 2.40 67 Q C C 139.94 2.30 10.16 14.03 106.35 -125.04 -80.71 98.94 71.35 9.84 18.80 43.05 15.33 13.61 7.51 10.96 0.04 7.01 2.50 68 K C C 151.01 2.14 8.94 12.72 116.49 -125.40 -98.95 135.39 68.53 12.89 18.58 43.52 12.14 13.44 7.62 10.61 0.04 9.10 3.53 69 A C C 84.81 2.81 7.47 12.23 113.06 -149.76 -91.36 128.48 79.95 8.32 11.73 70.67 2.15 8.49 5.53 4.49 0.00 5.75 2.91 70 A C C 79.55 3.68 9.80 15.20 111.91 -139.53 -89.51 131.27 99.49 0.40 0.10 99.23 0.21 0.16 0.06 0.01 0.00 0.28 0.05