# 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 116.86 4.90 11.64 18.08 115.49 -160.96 -94.98 133.49 99.80 0.13 0.07 99.68 0.13 0.07 0.04 0.01 0.00 0.06 0.02 1 A C C 69.44 4.95 8.74 15.42 113.28 -117.40 -76.94 143.06 87.65 2.09 10.25 83.92 0.93 3.35 8.76 1.10 0.00 1.04 0.89 2 K C C 140.62 2.67 9.61 13.91 112.72 -141.56 -88.04 132.42 76.47 3.20 20.33 60.90 8.26 5.71 19.84 2.41 0.00 1.62 1.26 3 K H H 142.77 2.81 9.98 14.28 104.79 -144.43 -78.16 2.61 44.35 2.65 53.01 30.21 7.98 7.48 47.14 4.80 0.02 1.65 0.73 4 S H H 66.33 3.87 9.99 15.33 104.47 60.85 -79.43 5.00 37.37 2.34 60.29 25.56 5.98 7.40 53.35 5.51 0.02 1.60 0.58 5 M H H 106.69 3.86 11.18 16.41 98.74 53.86 -74.24 -27.40 26.97 3.19 69.85 18.49 4.97 5.95 61.49 5.97 0.03 2.42 0.67 6 I H H 86.50 4.75 11.02 17.36 95.53 58.62 -70.08 -37.60 23.65 4.02 72.34 16.55 4.41 5.25 65.19 4.69 0.05 3.09 0.77 7 A H H 60.18 3.96 11.58 16.86 95.72 53.46 -70.13 -35.73 27.13 3.04 69.83 18.46 4.53 6.22 63.41 4.46 0.03 2.27 0.63 8 K H H 133.67 2.76 11.64 15.43 97.16 54.21 -74.62 -25.46 34.33 2.14 63.53 20.30 5.73 10.02 57.02 4.86 0.04 1.41 0.61 9 Q H H 110.90 4.14 10.24 15.92 100.48 64.00 -80.48 -11.35 48.32 1.62 50.07 24.98 8.16 16.01 44.82 4.51 0.04 0.85 0.63 10 K C C 149.65 2.19 10.60 13.95 101.12 65.29 -80.68 1.21 67.79 1.48 30.73 33.89 14.34 19.03 27.57 3.80 0.02 0.66 0.69 11 R C C 155.51 2.95 9.13 13.73 113.78 83.96 -92.61 130.26 85.26 1.44 13.30 46.10 29.69 8.92 11.57 2.29 0.00 0.54 0.88 12 T C C 89.66 3.23 9.70 14.60 115.15 -110.04 -87.53 137.67 92.27 0.76 6.96 69.20 18.69 4.21 5.20 1.86 0.00 0.31 0.53 13 P C C 91.23 4.16 9.03 15.04 110.43 -108.88 -68.09 144.08 75.89 0.89 23.22 50.74 8.49 16.29 11.53 11.97 0.00 0.49 0.50 14 K C C 156.63 1.84 10.15 13.18 104.15 -133.65 -79.13 -7.08 68.46 2.05 29.49 32.66 15.10 21.15 14.31 14.66 0.03 0.94 1.17 15 Y C C 145.92 4.28 8.76 14.60 110.21 56.05 -97.24 97.68 64.15 3.97 31.88 35.35 15.56 13.76 16.70 14.67 0.05 1.89 2.02 16 A C C 74.55 3.75 10.54 15.93 107.54 -164.84 -85.16 108.20 65.39 4.43 30.19 37.98 16.29 11.54 19.67 10.31 0.04 2.46 1.71 17 V C C 95.17 5.08 10.20 16.82 111.25 83.50 -95.51 116.82 60.82 8.54 30.63 36.18 13.75 11.29 19.67 10.84 0.12 4.93 3.22 18 Q C C 108.49 5.75 11.79 19.06 111.64 -143.64 -89.23 126.40 62.11 10.04 27.84 39.21 13.01 10.15 17.38 10.66 0.12 6.49 2.98 19 A C C 68.91 5.57 14.12 20.81 103.67 -140.63 -83.59 -4.78 63.35 13.27 23.39 41.14 11.19 10.99 12.95 10.69 0.08 9.62 3.35 20 Y C C 106.42 9.49 14.89 25.20 120.42 62.56 -112.22 135.98 69.81 18.57 11.61 53.31 10.30 5.48 6.94 5.20 0.04 14.28 4.45 21 T C C 47.08 12.39 15.71 28.81 111.01 -165.30 -105.57 80.69 71.92 23.24 4.84 58.18 9.56 3.60 2.82 2.24 0.01 20.35 3.24 22 R E B 115.53 7.07 20.02 27.97 124.78 89.66 -111.02 142.64 32.24 67.14 0.62 26.21 2.01 0.18 0.50 0.12 0.00 16.77 54.19 23 C C C 12.16 19.16 10.69 30.36 111.01 -110.62 -69.74 131.99 93.46 6.42 0.11 93.60 0.71 0.13 0.04 0.04 0.00 3.23 2.26 24 E C T 127.63 3.52 18.12 22.68 92.76 -145.61 -69.84 -28.01 99.53 0.18 0.29 1.35 8.94 89.30 0.03 0.20 0.00 0.10 0.08 25 R C T 127.48 5.80 16.23 23.16 99.55 43.39 -82.24 -40.83 99.67 0.10 0.23 0.13 3.64 96.02 0.01 0.13 0.00 0.04 0.03 26 C C T 56.72 7.31 14.30 23.13 102.79 19.46 -108.47 -13.83 99.71 0.09 0.19 0.33 4.55 94.90 0.01 0.14 0.00 0.05 0.03 27 G C C 45.62 4.71 15.45 21.59 95.19 -120.72 79.60 6.04 99.18 0.70 0.13 75.13 19.37 4.57 0.03 0.10 0.00 0.26 0.54 28 R C C 104.33 6.87 15.17 23.73 116.20 136.76 -81.84 140.48 95.57 4.36 0.07 80.01 15.47 0.29 0.02 0.04 0.00 1.32 2.85 29 P C B 72.58 7.33 17.95 26.05 112.70 -105.23 -67.03 147.73 49.66 49.56 0.79 20.71 23.95 3.44 0.33 0.52 0.02 21.15 29.88 30 H C S 89.09 11.11 18.55 29.48 106.74 10.03 -54.26 66.45 87.51 12.14 0.34 37.92 41.77 7.94 0.02 0.50 0.00 10.60 1.25 31 S C C 23.35 13.90 17.44 32.12 127.29 159.05 -114.61 155.68 73.16 26.63 0.21 61.41 10.36 0.68 0.04 0.22 0.00 25.59 1.70 32 V E E 49.19 11.20 19.30 31.56 118.74 -135.71 -109.31 129.69 13.35 86.59 0.06 11.10 2.36 0.09 0.03 0.04 0.00 80.72 5.66 33 I E E 27.50 15.43 13.51 30.22 110.63 -156.65 -101.50 112.71 5.43 94.49 0.08 4.78 0.35 0.05 0.06 0.03 0.00 85.74 8.99 34 R C T 149.48 4.48 15.62 21.56 94.98 -163.44 -67.56 -34.40 59.68 1.55 38.77 1.28 2.64 54.17 0.67 39.89 0.00 1.22 0.14 35 K C T 147.52 1.90 16.46 18.42 93.06 51.47 -67.52 -38.18 59.86 0.23 39.91 0.36 1.45 56.83 0.66 40.51 0.00 0.14 0.05 36 F C T 76.53 10.14 13.81 25.11 98.29 31.61 -102.06 -3.04 58.61 0.10 41.29 0.34 1.21 56.27 1.14 40.96 0.00 0.05 0.03 37 K C T 119.30 6.59 19.61 27.29 94.00 -125.47 59.69 36.73 98.83 0.77 0.40 2.96 2.29 93.86 0.06 0.21 0.00 0.56 0.06 38 L E E 18.32 17.44 16.85 34.98 132.32 129.39 -124.77 154.67 7.16 92.79 0.05 5.54 1.63 0.11 0.04 0.03 0.00 81.12 11.53 39 C E E 16.42 14.52 20.35 35.92 118.33 -108.46 -72.15 154.29 25.00 74.94 0.06 26.16 0.35 0.03 0.06 0.01 0.00 67.62 5.77 40 R H H 80.10 14.10 19.39 33.65 91.70 -113.70 -59.23 -38.85 5.04 0.07 94.89 0.46 0.78 3.55 94.80 0.31 0.03 0.03 0.02 41 I H H 76.16 5.71 23.94 30.01 91.64 53.80 -63.53 -41.75 1.57 0.02 98.40 0.12 0.17 1.33 98.11 0.22 0.03 0.01 0.01 42 C H H 18.06 14.18 20.74 35.68 91.69 48.69 -64.63 -42.55 0.35 0.00 99.65 0.04 0.02 0.25 99.47 0.21 0.00 0.00 0.00 43 F H H 12.15 22.63 17.57 40.16 91.62 50.26 -63.62 -43.20 0.08 0.00 99.91 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 44 R H H 99.93 9.04 21.94 31.10 91.56 50.21 -63.48 -42.10 0.11 0.00 99.89 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 45 E H H 86.67 4.05 22.35 26.24 91.68 49.13 -64.63 -42.29 0.11 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 46 L H H 21.88 12.80 16.84 31.26 91.84 49.07 -64.56 -41.97 0.21 0.00 99.79 0.01 0.01 0.14 99.77 0.06 0.00 0.00 0.00 47 A H H 21.31 14.81 13.65 29.12 91.79 50.75 -63.41 -41.92 0.52 0.00 99.47 0.04 0.02 0.41 99.33 0.21 0.00 0.00 0.00 48 Y H H 157.69 2.78 16.82 20.30 91.61 50.50 -66.17 -32.79 3.18 0.01 96.81 0.06 0.08 3.25 96.32 0.28 0.00 0.00 0.00 49 K C T 132.82 2.22 15.56 17.90 92.56 51.32 -86.09 -3.74 68.78 0.02 31.19 0.16 0.76 67.91 30.63 0.50 0.00 0.00 0.02 50 G C T 48.08 5.61 13.44 20.55 94.44 -112.24 78.87 13.49 99.17 0.02 0.81 0.97 2.16 96.16 0.61 0.07 0.00 0.01 0.01 51 Q C S 100.19 5.34 16.19 22.88 95.23 124.41 -76.88 -22.82 99.08 0.76 0.16 36.69 60.80 1.60 0.06 0.08 0.00 0.22 0.54 52 I C S 25.92 19.20 10.49 29.25 114.81 38.62 -124.05 106.79 98.34 1.36 0.31 37.60 59.51 1.24 0.08 0.20 0.00 0.47 0.90 53 P C T 84.39 4.36 18.51 23.73 112.13 -132.38 -66.70 138.76 97.57 0.99 1.44 15.85 13.28 68.17 0.19 1.40 0.00 0.59 0.51 54 G C T 47.63 4.45 17.88 22.90 98.19 18.54 85.56 -2.76 94.96 3.10 1.93 14.32 12.29 68.20 0.26 1.88 0.00 2.34 0.70 55 V C C 40.73 17.77 9.55 26.67 115.57 130.51 -85.61 129.66 83.18 15.29 1.52 74.06 7.00 1.56 0.60 1.02 0.00 8.30 7.46 56 K C C 128.03 3.40 16.78 21.49 124.13 -170.86 -120.14 146.52 77.90 19.13 2.97 69.62 5.12 2.16 1.29 1.77 0.00 14.11 5.94 57 K C C 127.69 6.44 12.30 20.31 113.98 -105.43 -73.44 139.18 69.78 16.29 13.93 49.53 11.91 8.49 3.00 11.09 0.01 13.36 2.61 58 A C C 67.18 6.83 9.04 17.21 107.60 -123.74 -80.83 112.64 77.46 7.21 15.33 45.82 15.74 15.58 1.70 14.46 0.00 5.61 1.08 59 S C C 89.46 1.87 10.03 12.93 105.74 -142.93 -93.83 33.77 82.98 5.24 11.77 66.83 3.72 12.83 1.81 9.61 0.00 4.04 1.15 60 W C C 167.78 4.81 10.41 16.72 104.30 105.39 -88.58 18.66 99.55 0.34 0.10 99.32 0.22 0.15 0.04 0.02 0.00 0.21 0.05