# 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 137.36 2.65 8.62 13.15 114.94 -153.73 -93.61 133.97 99.88 0.09 0.02 99.80 0.10 0.03 0.01 0.00 0.00 0.04 0.02 1 K C C 160.62 1.28 7.51 10.29 116.65 -149.39 -98.46 135.41 94.39 4.31 1.30 92.83 0.92 1.08 0.52 0.41 0.00 2.05 2.18 2 R C C 179.81 1.58 6.66 10.01 114.95 -134.41 -91.43 131.72 92.17 4.69 3.14 79.57 7.80 4.50 0.82 2.39 0.00 3.01 1.92 3 T C C 108.91 1.56 7.46 10.51 110.87 -156.98 -96.01 114.94 93.56 3.38 3.06 63.84 21.49 8.00 0.63 2.72 0.00 2.04 1.27 4 Y C C 165.06 2.62 7.09 11.65 116.68 -143.27 -103.40 130.90 92.86 4.45 2.69 63.03 24.06 5.45 0.80 1.99 0.00 1.92 2.74 5 Q C C 134.57 1.71 9.25 12.55 117.78 -163.46 -109.88 126.33 97.74 1.57 0.68 81.70 15.49 0.63 0.46 0.22 0.00 0.71 0.78 6 P C C 86.31 4.68 8.03 14.73 114.01 -112.41 -66.67 147.88 92.94 1.04 6.02 79.02 7.86 6.08 4.29 1.64 0.00 0.48 0.64 7 S C C 65.23 3.48 9.12 14.41 113.35 -118.66 -82.76 141.03 89.09 1.23 9.67 76.69 6.72 5.31 8.06 1.88 0.00 0.47 0.87 8 K H H 153.83 1.68 9.67 12.53 95.29 -143.25 -70.46 -25.90 43.67 0.99 55.34 23.82 13.66 7.67 50.36 3.60 0.02 0.41 0.45 9 R H H 157.71 1.33 10.47 12.24 93.89 63.46 -66.72 -37.49 24.60 0.65 74.74 13.46 5.52 7.03 69.16 4.25 0.01 0.35 0.21 10 K H H 120.85 2.38 10.87 14.28 93.87 53.47 -67.91 -37.62 16.47 0.69 82.83 9.92 2.88 5.01 76.10 5.44 0.02 0.44 0.18 11 R H H 122.36 4.50 10.24 16.40 93.42 53.80 -67.60 -36.98 12.37 0.57 87.06 7.09 2.14 4.24 80.28 5.72 0.02 0.37 0.14 12 K H H 131.42 2.38 12.20 15.66 93.04 53.75 -67.44 -34.65 13.75 0.58 85.67 6.92 2.35 5.41 79.40 5.38 0.02 0.36 0.16 13 K H H 140.05 1.72 13.09 15.09 95.25 50.75 -76.09 -28.24 19.34 0.77 79.88 8.75 3.33 8.26 74.53 4.39 0.04 0.44 0.27 14 V H H 80.92 4.70 12.46 18.49 100.89 49.97 -86.78 -28.59 30.61 1.02 68.37 13.13 6.12 12.20 64.94 2.66 0.05 0.47 0.44 15 H C H 100.75 5.09 12.41 18.91 103.17 53.40 -86.25 -3.18 54.92 1.23 43.85 23.57 12.29 17.87 43.21 1.94 0.04 0.46 0.63 16 G C C 30.68 5.16 14.31 20.76 112.35 -83.34 65.42 166.18 66.61 0.97 32.42 42.09 12.30 10.28 32.46 2.01 0.00 0.36 0.49 17 F H H 110.45 6.56 12.06 19.84 93.76 -56.09 -64.76 -37.73 12.97 0.26 86.77 5.48 2.95 5.60 82.97 2.67 0.08 0.13 0.12 18 R H H 154.41 1.89 14.49 16.69 92.40 53.36 -64.94 -40.01 6.24 0.15 93.60 1.79 1.05 3.62 89.08 4.25 0.07 0.09 0.05 19 T H H 77.42 2.31 15.27 17.73 92.66 49.73 -66.48 -39.59 4.75 0.12 95.13 1.27 0.69 2.78 88.25 6.84 0.04 0.09 0.03 20 R H H 86.25 7.49 11.82 21.01 93.06 50.97 -69.41 -34.52 5.87 0.10 94.03 1.22 0.75 3.79 86.68 7.44 0.03 0.06 0.03 21 M H H 87.74 6.75 11.09 19.50 93.41 58.23 -74.54 -15.85 27.99 0.18 71.82 2.84 2.16 22.44 65.60 6.71 0.07 0.09 0.11 22 S C T 87.51 1.27 14.11 14.92 93.98 63.77 -82.30 -12.61 70.99 0.36 28.65 6.75 7.69 55.79 24.98 4.32 0.05 0.14 0.28 23 T C S 61.24 4.43 9.38 16.03 121.45 85.52 -91.20 154.12 96.71 0.88 2.41 12.74 82.38 1.25 2.37 0.17 0.00 0.15 0.95 24 K H H 165.72 0.82 12.87 13.17 92.48 -114.61 -60.81 -36.57 23.33 0.05 76.62 1.16 3.98 18.10 74.97 1.69 0.05 0.01 0.04 25 N H H 104.80 1.72 13.21 15.08 93.30 50.14 -67.47 -33.69 21.17 0.03 78.79 1.16 1.93 17.69 77.64 1.53 0.02 0.01 0.02 26 G H H 20.85 7.49 10.56 20.20 92.64 54.71 -63.46 -40.42 6.60 0.02 93.38 1.79 0.92 3.63 92.26 1.37 0.00 0.01 0.02 27 R H H 133.01 3.08 14.47 18.60 91.78 51.52 -64.61 -40.52 2.37 0.02 97.61 0.77 0.27 1.14 97.26 0.55 0.00 0.01 0.00 28 R H H 148.32 1.40 17.12 17.39 92.54 49.90 -65.43 -40.92 1.90 0.03 98.07 0.61 0.24 0.95 97.81 0.37 0.00 0.02 0.01 29 V H H 69.28 3.53 15.72 20.11 92.22 49.62 -64.65 -42.96 1.38 0.06 98.56 0.60 0.19 0.55 98.41 0.20 0.00 0.04 0.01 30 L H H 64.11 5.80 14.46 21.91 91.93 49.54 -64.13 -42.02 0.56 0.01 99.44 0.17 0.04 0.26 99.37 0.15 0.00 0.00 0.00 31 A H H 50.30 2.64 15.64 18.85 91.49 50.74 -63.10 -41.60 0.72 0.00 99.28 0.13 0.04 0.42 99.19 0.21 0.00 0.00 0.00 32 S H H 56.23 1.97 15.03 16.95 91.94 50.55 -64.25 -40.95 1.73 0.00 98.27 0.25 0.12 1.16 98.00 0.47 0.00 0.00 0.00 33 R H H 111.64 3.93 12.49 17.78 92.29 50.58 -65.47 -39.94 3.92 0.02 96.06 0.75 0.37 2.55 95.24 1.06 0.00 0.01 0.01 34 R H H 143.96 2.85 11.77 15.97 92.16 51.65 -65.82 -37.59 9.26 0.06 90.68 1.90 0.89 6.18 88.72 2.24 0.01 0.03 0.03 35 R H H 182.96 0.75 12.39 12.33 92.41 52.55 -68.69 -27.91 23.11 0.16 76.72 2.74 1.97 18.20 74.56 2.34 0.04 0.07 0.09 36 K C T 151.17 1.21 10.59 12.02 96.95 53.36 -85.59 -6.67 66.71 0.31 32.98 4.69 6.31 53.14 33.44 2.08 0.02 0.12 0.20 37 G C T 55.16 2.03 9.87 13.19 104.03 -105.67 79.34 18.21 92.22 0.66 7.11 21.35 10.28 60.81 5.55 1.45 0.00 0.31 0.26 38 R C C 151.81 3.45 7.58 13.11 115.34 154.04 -89.60 133.93 90.49 3.12 6.39 77.33 7.86 5.35 3.82 2.46 0.00 1.90 1.28 39 K C C 157.16 1.55 9.23 12.21 115.21 -154.20 -100.06 131.72 85.05 6.37 8.58 66.06 12.05 6.75 4.64 3.97 0.00 4.94 1.57 40 V C C 117.09 2.21 7.61 11.60 114.75 -146.38 -97.03 129.99 77.13 13.00 9.88 58.82 11.31 6.74 5.36 4.62 0.01 10.36 2.79 41 L C C 131.72 1.97 6.66 10.43 112.68 -144.77 -93.58 126.13 76.76 13.72 9.52 58.21 9.96 8.33 5.04 4.42 0.01 11.47 2.56 42 S C C 90.49 1.40 7.45 10.35 118.17 -162.21 -104.34 139.67 86.02 8.37 5.61 77.26 2.82 6.33 2.93 1.99 0.00 6.99 1.68 43 A C C 87.03 2.60 9.46 13.72 108.52 -119.43 -82.36 129.80 99.74 0.22 0.04 99.55 0.17 0.09 0.02 0.01 0.00 0.14 0.02