# 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 A C C 67.11 6.08 10.60 18.22 113.08 -157.22 -89.07 129.52 99.75 0.11 0.14 99.54 0.15 0.15 0.07 0.01 0.00 0.05 0.03 1 R C C 167.98 2.29 9.10 13.05 110.97 -158.65 -91.60 122.70 84.80 1.31 13.88 76.67 1.83 7.52 8.80 3.78 0.00 0.66 0.74 2 Y C C 165.38 2.51 7.69 11.97 110.49 -144.74 -93.99 115.30 77.96 2.20 19.84 49.08 15.98 13.03 11.51 8.09 0.00 1.05 1.25 3 F C C 139.05 3.78 7.63 13.32 113.93 -151.10 -97.72 127.47 72.38 2.04 25.58 46.54 14.83 11.04 13.90 11.55 0.00 1.02 1.12 4 R C C 158.45 2.99 9.17 14.01 113.71 -148.33 -95.33 129.24 72.10 2.02 25.88 48.71 13.29 9.98 14.54 11.35 0.00 1.02 1.11 5 R C C 155.74 3.86 9.52 15.34 112.43 -140.75 -88.57 129.61 72.39 1.97 25.64 52.10 11.40 8.59 12.87 12.94 0.00 1.01 1.08 6 R C C 139.14 5.88 10.55 18.03 114.94 -133.50 -89.64 134.38 76.99 2.24 20.77 51.67 14.22 11.10 9.87 10.79 0.01 1.16 1.18 7 K C C 140.33 3.81 14.46 19.62 108.31 -138.49 -89.43 90.89 80.60 4.17 15.23 54.92 14.78 11.37 6.06 8.65 0.01 2.50 1.71 8 F C C 88.45 10.55 13.83 25.26 123.74 -126.48 -105.64 147.07 84.82 10.52 4.67 66.00 15.18 2.25 3.05 1.66 0.00 3.74 8.11 9 C C C 22.21 15.47 13.53 29.82 114.33 -112.96 -76.72 137.45 93.98 3.43 2.58 88.29 4.84 0.76 2.39 0.37 0.00 1.22 2.14 10 R H H 117.81 6.07 19.77 26.80 92.80 -125.33 -61.84 -34.91 13.23 0.19 86.57 2.03 2.63 9.43 81.09 4.44 0.18 0.09 0.11 11 F H H 32.49 15.94 15.31 31.75 92.23 53.27 -65.96 -39.71 13.28 0.23 86.49 1.44 1.80 10.54 78.92 6.78 0.27 0.13 0.11 12 T H H 37.36 13.85 14.51 28.61 93.56 48.54 -70.48 -38.02 10.17 0.28 89.55 1.81 1.54 7.21 79.99 8.93 0.24 0.17 0.12 13 A H H 64.15 5.69 15.77 22.69 91.94 57.60 -67.52 -28.33 17.62 0.33 82.05 2.18 2.52 13.38 73.66 7.60 0.29 0.18 0.19 14 E C T 118.69 3.94 15.70 20.55 95.05 51.71 -86.84 -1.29 71.65 0.17 28.18 1.20 3.27 66.57 24.38 4.28 0.04 0.07 0.18 15 G C T 45.34 4.28 16.60 21.88 100.26 -104.41 85.02 12.10 96.30 0.10 3.61 5.74 3.71 87.41 2.22 0.82 0.00 0.05 0.05 16 V C C 32.76 17.61 9.24 26.17 111.29 155.17 -84.61 123.65 90.05 2.61 7.34 84.69 2.97 2.71 2.01 4.94 0.00 1.35 1.34 17 Q C C 127.96 3.20 18.66 22.79 100.22 175.48 -94.20 -19.35 87.84 3.22 8.94 47.15 30.39 9.76 1.41 8.28 0.00 1.86 1.15 18 E C C 116.84 4.36 20.43 25.68 123.85 29.89 -124.58 136.49 78.15 11.89 9.96 53.18 15.39 8.86 1.72 9.40 0.01 8.06 3.40 19 I C C 22.24 22.38 11.13 32.72 121.14 -164.33 -113.78 131.41 88.78 9.56 1.66 83.97 4.20 0.70 0.69 0.95 0.00 5.56 3.93 20 D C C 64.54 5.84 22.34 28.64 109.31 -150.22 -100.05 111.53 97.52 2.12 0.36 96.71 0.95 0.27 0.11 0.14 0.00 0.96 0.85 21 Y C T 52.37 19.80 12.24 31.79 93.52 -169.83 -72.27 -14.48 94.70 0.18 5.12 2.34 5.26 87.12 0.50 4.58 0.00 0.09 0.09 22 K C T 140.72 3.37 18.21 22.54 92.00 65.01 -78.02 -13.45 95.13 0.13 4.74 1.34 6.66 87.24 0.37 4.25 0.00 0.07 0.06 23 D C C 67.78 6.19 15.95 23.67 107.48 68.73 -107.43 95.68 95.10 2.02 2.88 78.24 13.78 2.25 0.94 2.13 0.00 0.64 2.03 24 I H H 61.77 15.93 11.82 27.60 93.54 -174.48 -63.58 -35.04 5.54 0.04 94.42 1.22 0.78 3.41 85.42 9.13 0.01 0.02 0.02 25 A H H 71.53 2.17 19.08 20.82 91.41 59.46 -63.35 -39.28 2.47 0.01 97.52 0.15 0.17 2.05 86.16 11.45 0.00 0.01 0.00 26 T H H 41.69 8.68 17.46 27.63 92.43 49.84 -66.29 -39.18 1.52 0.01 98.47 0.11 0.10 1.21 87.36 11.21 0.00 0.01 0.00 27 L H H 5.59 24.75 12.29 36.98 91.86 52.72 -66.13 -36.48 2.12 0.01 97.86 0.23 0.18 1.54 88.51 9.53 0.00 0.01 0.00 28 K H H 110.30 9.71 19.13 29.41 90.90 60.85 -63.31 -31.55 12.64 0.07 87.30 0.62 0.66 10.30 58.28 30.02 0.04 0.04 0.04 29 N H T 107.12 2.79 22.86 25.40 91.31 57.58 -74.29 -19.43 39.11 0.08 60.80 0.75 1.57 37.22 32.71 27.59 0.03 0.04 0.09 30 Y C T 30.23 18.87 16.07 35.23 97.15 49.09 -98.94 -5.87 53.04 0.45 46.50 3.15 4.82 44.08 19.57 27.77 0.04 0.27 0.31 31 I E B 26.39 19.74 13.15 32.78 121.75 89.66 -97.17 140.35 5.36 94.49 0.15 2.99 0.57 0.02 0.15 0.01 0.00 8.70 87.56 32 T C C 43.23 8.43 15.25 25.37 123.19 -132.93 -81.06 171.96 95.40 4.49 0.12 95.92 0.37 0.11 0.04 0.03 0.00 2.63 0.90 33 E C T 162.75 1.47 14.51 16.78 90.46 -91.66 -63.51 -22.52 98.94 0.50 0.56 0.42 3.20 95.59 0.06 0.34 0.00 0.29 0.10 34 S C T 77.78 2.21 17.09 19.13 92.65 56.45 -86.70 -3.31 99.41 0.11 0.49 0.20 3.07 96.27 0.03 0.35 0.00 0.05 0.03 35 G C S 16.80 15.99 13.01 29.08 95.48 -107.62 83.72 8.14 99.47 0.32 0.21 11.66 86.93 1.01 0.02 0.13 0.00 0.12 0.13 36 K C C 98.39 5.39 21.97 28.36 120.61 136.30 -85.93 145.89 93.79 6.13 0.08 76.16 17.83 0.21 0.04 0.04 0.00 2.99 2.73 37 I E B 28.00 21.32 14.98 36.10 112.63 -112.65 -78.91 131.12 7.32 92.60 0.08 5.37 0.39 0.01 0.08 0.01 0.00 12.59 81.54 38 V C C 34.12 13.97 18.15 32.98 116.08 -126.85 -84.32 133.54 92.43 7.47 0.10 91.44 1.48 0.10 0.04 0.04 0.00 6.20 0.71 39 P C C 50.19 9.25 19.80 29.88 113.99 -105.90 -66.72 147.77 90.80 3.76 5.44 85.79 3.53 2.02 2.60 2.39 0.00 2.31 1.35 40 S C G 52.36 13.62 13.59 27.29 93.74 -121.53 -64.31 -23.72 61.46 1.97 36.57 22.78 15.23 24.35 10.62 24.96 0.02 0.98 1.06 41 R C T 162.71 2.61 18.16 21.26 93.08 66.75 -73.78 -15.69 56.21 4.56 39.22 19.55 13.94 24.38 13.57 23.94 0.15 2.41 2.06 42 I C C 73.49 11.05 13.89 25.48 99.08 62.35 -85.87 -1.64 57.99 7.59 34.42 28.53 16.40 14.72 14.94 18.03 0.17 3.86 3.36 43 T C C 49.89 14.01 12.47 26.20 106.72 71.54 -99.00 10.70 77.22 6.39 16.39 46.12 18.06 13.17 11.42 4.92 0.04 3.03 3.24 44 G C S 52.44 3.60 17.82 22.12 100.36 -101.85 81.80 1.85 87.81 2.61 9.58 22.05 44.54 22.05 5.07 3.65 0.02 1.24 1.38 45 T C S 47.07 13.48 11.48 25.12 120.72 100.99 -96.19 151.05 84.85 3.90 11.24 25.55 45.62 14.15 7.42 3.37 0.05 1.65 2.18 46 R C C 124.95 4.65 17.30 22.43 113.68 -100.32 -76.06 148.07 84.02 5.09 10.89 70.65 8.52 3.90 9.39 2.22 0.00 1.98 3.33 47 A H H 62.71 7.21 13.89 22.53 93.09 -117.46 -59.05 -39.35 3.01 0.02 96.97 0.94 0.53 1.35 96.59 0.57 0.00 0.01 0.01 48 K H H 132.10 1.94 19.44 20.84 91.68 53.63 -64.58 -39.92 1.26 0.01 98.74 0.24 0.12 0.77 98.37 0.49 0.00 0.00 0.00 49 Y H H 61.49 11.96 17.12 29.84 92.42 48.29 -66.64 -40.55 0.48 0.00 99.51 0.10 0.04 0.27 99.17 0.41 0.00 0.00 0.00 50 Q H H 34.35 16.98 15.94 32.80 91.81 52.93 -62.81 -42.16 0.16 0.00 99.84 0.03 0.01 0.08 99.80 0.08 0.00 0.00 0.00 51 R H H 127.49 3.59 23.17 26.68 91.54 50.15 -64.08 -41.26 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 52 Q H H 76.87 6.46 23.16 29.87 91.70 49.56 -64.54 -41.81 0.11 0.00 99.89 0.01 0.01 0.07 99.89 0.03 0.00 0.00 0.00 53 L H H 13.86 20.92 18.70 39.52 92.15 49.87 -64.78 -41.92 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 54 A H H 26.56 12.97 21.48 34.85 91.57 51.54 -63.10 -42.28 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 55 R H H 126.74 2.73 26.08 27.96 91.59 49.70 -64.23 -41.73 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 56 A H H 18.03 12.57 21.07 34.78 91.71 50.24 -64.14 -42.65 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 57 I H H 15.86 20.79 18.97 39.44 91.87 49.75 -64.02 -42.91 0.21 0.00 99.79 0.03 0.01 0.14 99.76 0.06 0.00 0.00 0.00 58 K H H 96.95 6.84 23.40 30.57 91.53 50.82 -63.07 -41.88 0.23 0.00 99.77 0.02 0.01 0.16 99.73 0.08 0.00 0.00 0.00 59 R H H 113.41 3.91 23.30 26.99 91.75 49.37 -64.70 -41.78 0.26 0.00 99.74 0.02 0.01 0.18 99.66 0.13 0.00 0.00 0.00 60 A H H 11.18 14.85 15.77 32.18 91.73 50.98 -64.08 -41.96 0.29 0.00 99.71 0.03 0.01 0.20 99.52 0.24 0.00 0.00 0.00 61 R H H 85.34 11.34 16.60 28.41 92.11 50.95 -63.90 -41.01 0.57 0.00 99.43 0.04 0.02 0.45 99.08 0.40 0.00 0.00 0.00 62 Y H H 144.01 2.75 17.20 20.30 92.30 49.31 -66.26 -37.78 1.20 0.00 98.79 0.06 0.05 1.06 98.37 0.46 0.00 0.00 0.00 63 L H H 94.26 4.46 14.70 20.30 94.21 49.70 -77.42 -21.09 9.34 0.01 90.65 0.16 0.27 9.76 88.93 0.86 0.02 0.00 0.01 64 S C T 73.14 5.13 14.91 21.14 98.13 -36.01 -64.63 -2.47 60.43 0.03 39.53 0.42 1.17 58.84 38.55 0.97 0.01 0.01 0.03 65 L C T 93.39 5.97 14.85 22.02 98.61 67.64 -87.53 -11.07 80.74 0.38 18.88 5.13 11.05 62.33 19.48 1.54 0.01 0.13 0.33 66 L C S 54.03 12.47 9.86 22.89 119.21 66.00 -106.91 132.57 93.18 1.46 5.37 42.77 45.48 5.06 2.41 2.75 0.00 0.56 0.97 67 P C C 86.70 4.04 14.60 19.81 103.85 -126.61 -68.40 42.16 91.69 0.95 7.36 55.83 19.95 15.52 1.84 5.91 0.00 0.48 0.48 68 Y C C 142.81 5.87 11.66 19.02 112.15 35.88 -94.57 124.44 82.83 6.01 11.16 56.73 13.09 12.33 3.87 7.56 0.01 2.83 3.59 69 T C C 71.95 7.11 9.99 18.64 119.52 139.09 -106.73 141.54 85.00 3.92 11.07 63.67 12.16 8.90 4.45 6.74 0.00 2.22 1.87 70 D C C 105.47 3.36 10.28 15.36 105.85 -146.65 -87.44 54.42 82.43 2.06 15.50 45.90 20.10 16.66 4.24 11.08 0.00 1.07 0.95 71 R C C 161.81 2.83 9.57 14.09 105.80 114.09 -87.52 58.05 82.33 1.93 15.74 44.23 18.72 19.47 3.73 11.94 0.00 0.97 0.93 72 H C C 126.26 4.53 7.52 13.85 109.56 91.61 -90.96 110.10 88.31 1.54 10.14 76.33 2.58 10.72 2.89 5.86 0.00 0.93 0.69 73 Q C C 132.66 2.70 11.12 15.54 111.81 -158.41 -94.07 118.40 99.78 0.12 0.10 99.53 0.17 0.16 0.04 0.01 0.00 0.06 0.02