# 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 R C C 163.96 2.83 11.00 15.53 113.95 -155.19 -93.55 127.98 99.89 0.06 0.04 99.73 0.14 0.06 0.02 0.00 0.00 0.02 0.01 1 A C C 78.25 3.61 8.12 13.68 113.71 -124.75 -84.47 139.68 90.13 1.08 8.79 86.52 0.97 4.18 4.84 2.39 0.00 0.51 0.60 2 K C C 149.17 2.30 8.84 12.92 112.84 -141.69 -91.22 130.46 83.37 2.21 14.42 63.11 11.57 8.68 7.76 6.51 0.00 1.15 1.21 3 R C C 159.67 3.37 8.71 14.07 112.56 -133.53 -88.97 131.50 76.50 3.25 20.25 56.14 11.48 8.73 10.35 9.97 0.00 1.85 1.47 4 R C C 145.83 4.86 10.22 16.90 112.98 -133.81 -88.78 130.80 75.95 4.04 20.01 54.09 12.76 8.93 11.19 8.98 0.01 2.48 1.56 5 K C C 132.68 4.68 12.84 19.20 109.79 -145.60 -91.91 114.13 74.67 9.32 16.02 53.13 13.74 7.52 9.63 6.65 0.01 6.61 2.70 6 V C C 73.51 8.96 13.86 23.92 119.85 -149.40 -104.36 135.88 66.73 23.15 10.11 52.69 9.36 3.15 7.90 2.95 0.03 13.54 10.38 7 C C C 34.49 13.80 12.52 27.08 113.37 -133.60 -89.22 126.30 70.96 20.12 8.92 60.82 6.28 2.80 6.92 2.58 0.01 14.85 5.74 8 Y C C 116.06 7.12 18.65 26.50 97.49 -161.50 -78.11 -18.85 59.99 17.74 22.27 24.96 21.66 14.64 15.11 6.61 0.55 12.89 3.57 9 F C C 60.03 13.69 13.48 27.38 97.75 59.61 -79.16 -18.47 49.09 28.12 22.78 18.54 17.29 15.24 13.90 7.58 1.77 17.46 8.21 10 T C C 49.89 10.44 12.81 24.07 111.68 61.50 -96.67 -40.58 52.51 25.32 22.17 30.96 11.36 11.38 12.51 9.48 0.68 17.15 6.48 11 S C T 85.78 2.83 13.64 17.64 93.94 -27.99 -69.27 -22.40 67.22 8.70 24.08 9.75 13.82 43.43 10.00 13.31 0.75 5.72 3.20 12 N C T 104.84 3.45 13.87 18.52 96.06 50.41 -91.42 3.89 82.67 1.33 15.99 5.34 13.46 64.04 4.61 10.92 0.03 0.83 0.78 13 G C T 46.77 3.90 15.06 20.15 99.04 -103.88 84.48 8.09 84.15 10.56 5.29 20.14 24.01 41.22 0.95 4.23 0.02 7.45 1.97 14 I C C 46.74 14.27 10.04 24.74 113.41 139.70 -90.94 125.19 64.51 33.54 1.95 54.37 6.16 2.39 0.77 1.38 0.00 26.20 8.74 15 T C C 84.44 5.56 17.94 24.59 103.27 -175.87 -102.15 -12.91 66.11 31.65 2.24 38.43 23.55 5.75 0.49 1.89 0.01 27.56 2.32 16 H C C 110.27 5.78 20.36 27.02 124.34 36.73 -123.07 134.93 58.68 39.16 2.16 40.30 14.93 4.78 0.52 1.84 0.01 34.18 3.44 17 I C C 21.33 21.72 12.03 33.32 120.59 -161.78 -112.08 129.90 69.19 30.22 0.58 65.35 2.95 0.44 0.29 0.34 0.00 25.02 5.61 18 D C C 63.95 6.17 21.71 28.43 109.93 -148.77 -99.61 113.80 90.22 9.46 0.32 89.36 1.30 0.27 0.11 0.15 0.00 7.14 1.67 19 Y C T 62.29 18.61 12.22 30.55 93.62 -162.32 -69.67 -17.01 72.90 0.57 26.52 4.54 6.52 60.16 2.07 26.09 0.00 0.36 0.26 20 K C T 145.00 2.70 17.89 21.29 92.08 65.44 -77.94 -14.99 74.54 0.44 25.02 2.87 7.46 62.83 2.04 24.26 0.00 0.25 0.28 21 D C C 65.48 6.86 15.23 23.62 106.70 68.77 -106.28 93.22 77.40 2.25 20.35 54.55 13.54 8.24 3.67 17.55 0.00 0.98 1.47 22 V H H 56.62 14.63 11.72 26.55 93.61 172.86 -64.74 -33.18 9.20 0.10 90.70 2.64 1.59 5.09 80.87 9.70 0.02 0.05 0.04 23 D H H 103.30 1.75 19.12 20.25 91.53 59.82 -64.07 -37.01 3.89 0.02 96.09 0.33 0.31 3.03 84.38 11.91 0.01 0.01 0.01 24 L H H 39.94 10.25 16.86 28.69 92.43 51.46 -65.60 -40.11 1.92 0.01 98.07 0.18 0.15 1.50 87.50 10.65 0.00 0.01 0.00 25 L H H 7.03 24.32 12.65 36.86 91.58 53.32 -64.23 -39.48 1.88 0.01 98.11 0.21 0.16 1.37 88.70 9.54 0.00 0.01 0.00 26 K H H 111.98 8.67 19.46 28.84 90.94 57.11 -63.73 -32.07 7.91 0.05 92.04 0.46 0.44 6.38 66.05 26.60 0.03 0.03 0.02 27 K H H 127.59 3.24 22.98 26.16 91.80 56.49 -71.25 -24.98 26.86 0.07 73.07 0.59 1.11 24.70 47.87 25.58 0.05 0.04 0.06 28 F H T 22.60 19.60 15.99 35.90 96.96 47.43 -96.49 -6.49 43.47 0.38 56.15 1.97 3.24 36.42 36.12 21.66 0.10 0.22 0.27 29 V E B 22.90 19.29 13.20 32.50 122.70 88.13 -100.01 141.78 5.94 93.82 0.25 3.33 0.80 0.03 0.25 0.02 0.00 9.73 85.85 30 S C C 32.80 8.37 14.74 24.98 123.37 -131.83 -80.44 172.48 95.25 4.57 0.18 95.61 0.40 0.15 0.06 0.05 0.00 2.85 0.87 31 E C T 163.08 1.43 14.35 16.46 90.60 -90.27 -63.79 -21.93 98.17 0.93 0.89 0.63 4.24 93.65 0.11 0.60 0.00 0.56 0.21 32 R C T 163.37 1.65 16.76 17.89 93.04 55.11 -88.13 1.16 98.89 0.29 0.82 0.29 4.10 94.67 0.05 0.67 0.00 0.15 0.07 33 G C S 17.27 16.07 12.71 28.74 95.70 -106.09 82.18 10.01 99.09 0.58 0.33 10.91 86.98 1.40 0.03 0.22 0.00 0.28 0.19 34 K C C 100.70 4.96 21.96 27.77 121.24 135.60 -90.68 145.90 93.95 5.95 0.10 76.72 17.24 0.30 0.04 0.06 0.00 3.33 2.30 35 I E B 28.90 21.07 14.45 35.24 113.53 -114.22 -80.22 132.37 9.45 90.43 0.11 6.77 0.61 0.03 0.11 0.01 0.00 10.87 81.61 36 L C C 39.62 13.56 17.07 31.60 114.61 -116.89 -73.96 138.77 94.94 4.93 0.13 93.78 1.56 0.11 0.06 0.04 0.00 3.88 0.56 37 P C C 54.87 8.45 18.69 28.15 113.52 -105.51 -66.55 147.15 92.13 3.15 4.72 87.07 3.67 1.82 2.73 1.59 0.00 1.82 1.28 38 R C C 124.31 11.18 13.35 24.97 93.79 -119.19 -62.61 -26.40 62.81 2.56 34.63 23.93 17.94 22.02 14.68 18.65 0.06 1.24 1.48 39 R C C 166.60 2.17 16.95 19.43 93.91 65.64 -73.63 -18.05 57.23 6.40 36.37 24.16 14.42 20.23 16.90 17.97 0.23 3.48 2.62 40 V C C 64.77 10.35 13.14 24.29 99.63 58.69 -88.37 -5.17 58.11 9.31 32.57 33.04 13.75 12.06 18.06 14.05 0.19 5.17 3.67 41 T C C 50.07 14.06 11.76 25.51 104.41 73.68 -89.80 13.93 75.84 6.75 17.41 44.42 15.94 15.36 13.38 4.38 0.05 3.56 2.91 42 G C S 54.10 3.28 17.21 21.15 99.09 -96.46 81.71 4.67 88.79 3.01 8.20 26.90 38.88 23.89 4.52 2.99 0.02 1.55 1.26 43 T C S 48.85 12.51 10.82 23.78 121.60 106.98 -96.48 150.86 87.61 4.35 8.03 32.81 44.26 10.80 5.69 2.22 0.03 1.78 2.42 44 N C C 79.04 4.13 16.63 21.28 116.93 -98.06 -75.45 157.16 90.44 3.68 5.88 79.39 7.95 2.58 5.10 1.19 0.00 1.50 2.29 45 A H H 68.46 5.59 13.52 20.76 92.68 -111.27 -59.62 -37.63 3.23 0.02 96.75 1.02 0.67 1.38 96.44 0.48 0.00 0.01 0.01 46 K H H 135.86 1.56 18.24 18.94 91.81 52.88 -64.39 -40.58 1.34 0.01 98.65 0.24 0.14 0.85 98.30 0.46 0.00 0.00 0.00 47 Y H H 67.50 10.47 16.19 27.76 92.48 48.12 -66.54 -40.74 0.60 0.00 99.39 0.14 0.06 0.35 99.01 0.44 0.00 0.00 0.00 48 Q H H 39.31 15.78 14.87 30.73 91.89 52.48 -62.64 -41.99 0.26 0.00 99.74 0.05 0.02 0.14 99.68 0.11 0.00 0.00 0.00 49 R H H 137.02 2.86 21.87 24.49 91.71 50.17 -64.27 -41.13 0.23 0.00 99.77 0.03 0.01 0.14 99.76 0.05 0.00 0.00 0.00 50 K H H 105.81 4.55 22.28 26.92 91.72 49.23 -64.82 -40.97 0.17 0.00 99.83 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 51 L H H 16.62 20.03 17.47 37.49 92.16 49.82 -65.03 -42.35 0.14 0.00 99.86 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 52 T H H 42.92 12.24 21.12 33.49 91.70 51.03 -63.30 -42.14 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 53 A H H 52.46 2.84 24.29 26.13 91.38 49.91 -63.61 -42.27 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 54 A H H 21.91 11.20 20.54 33.00 91.74 50.09 -64.32 -42.33 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 55 I H H 17.99 19.92 18.08 37.81 91.93 49.92 -63.99 -42.71 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 56 K H H 102.02 5.74 22.78 28.96 91.54 50.67 -63.16 -41.74 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 57 R H H 119.76 3.17 22.70 25.26 91.77 49.64 -64.44 -41.49 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 58 A H H 13.70 13.69 15.56 30.87 91.62 50.96 -64.09 -41.86 0.24 0.00 99.76 0.02 0.01 0.16 99.71 0.10 0.00 0.00 0.00 59 R H H 88.09 10.96 16.06 27.59 92.14 50.72 -64.30 -40.51 0.52 0.00 99.48 0.04 0.02 0.39 99.34 0.21 0.00 0.00 0.00 60 Q H H 120.22 2.19 16.91 19.24 92.11 50.47 -65.92 -37.11 1.43 0.00 98.57 0.07 0.05 1.21 98.39 0.27 0.00 0.00 0.00 61 M H H 109.49 3.61 14.21 18.78 93.90 50.76 -76.98 -19.48 9.58 0.01 90.40 0.25 0.35 9.24 89.54 0.58 0.01 0.00 0.01 62 A C T 71.54 5.10 13.45 19.82 97.64 -86.79 25.06 1.12 65.21 0.06 34.72 0.88 2.03 60.69 35.36 0.96 0.01 0.02 0.05 63 L C T 103.86 4.45 13.87 19.59 97.44 92.04 -82.58 -6.99 82.23 0.37 17.40 6.84 8.92 64.37 17.76 1.69 0.01 0.14 0.29 64 L C C 64.59 10.76 9.47 21.10 117.16 81.61 -99.61 129.18 85.31 1.42 13.27 47.16 29.81 8.41 4.73 8.32 0.00 0.61 0.96 65 P C C 91.88 3.47 13.96 18.69 102.97 -129.01 -68.51 18.77 83.86 1.32 14.82 47.59 17.54 17.78 3.60 12.21 0.00 0.73 0.55 66 Y C C 146.00 5.19 11.75 18.49 109.62 53.47 -91.10 100.13 70.76 11.00 18.24 44.75 11.57 14.44 5.13 13.37 0.02 7.06 3.67 67 V C C 81.06 7.71 9.08 18.15 114.98 152.59 -99.69 130.00 74.96 15.67 9.37 59.67 8.25 6.11 4.70 4.92 0.01 10.58 5.75 68 S C C 84.41 2.67 9.59 14.14 114.33 -161.75 -98.59 131.82 84.69 9.02 6.29 51.47 14.53 19.22 2.90 3.21 0.01 6.72 1.94 69 G C C 58.62 1.76 10.53 13.49 112.40 13.97 89.77 162.46 94.90 2.64 2.46 70.90 5.40 18.96 0.89 1.22 0.00 1.98 0.64 70 E C C 144.47 2.58 11.52 15.62 111.31 -82.36 -88.03 123.85 99.79 0.17 0.03 99.59 0.17 0.09 0.01 0.00 0.00 0.11 0.02