# 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 68.56 5.93 10.39 17.92 112.49 -122.48 -77.32 140.66 99.96 0.03 0.01 99.89 0.06 0.03 0.00 0.00 0.00 0.01 0.00 1 K C C 164.05 1.49 9.79 12.54 111.10 -136.87 -88.16 130.32 94.55 2.22 3.23 83.19 1.81 10.10 0.94 1.68 0.00 1.34 0.94 2 G C C 57.06 1.88 9.56 12.78 115.19 14.67 102.68 164.90 92.64 4.56 2.80 47.67 25.06 20.19 0.41 2.60 0.00 2.88 1.19 3 Y C C 159.96 3.87 8.35 14.07 116.39 -92.99 -95.12 133.73 87.12 10.12 2.77 68.94 13.22 4.60 0.64 2.27 0.00 7.47 2.86 4 K C C 142.73 2.99 10.11 14.87 116.76 -144.79 -98.58 136.28 82.72 15.45 1.83 74.97 5.67 1.70 0.72 1.04 0.00 10.73 5.17 5 M C C 121.26 6.18 9.45 17.17 114.27 -130.36 -85.39 133.23 83.69 14.69 1.62 75.32 6.16 1.82 0.78 0.80 0.00 11.37 3.75 6 K C C 137.50 3.50 12.75 17.65 119.54 -156.77 -105.05 139.12 82.43 15.46 2.11 68.89 10.75 2.29 1.31 0.88 0.00 11.09 4.79 7 T C C 72.29 10.00 9.99 20.69 118.31 -123.98 -92.16 141.61 85.27 11.84 2.89 71.18 11.81 1.91 2.21 0.91 0.00 7.39 4.60 8 H C C 97.57 7.00 12.54 20.84 111.29 -118.56 -84.94 129.82 90.69 4.54 4.77 83.52 5.49 1.59 4.32 0.79 0.00 2.54 1.76 9 K H H 144.72 2.90 13.58 17.90 93.84 -140.22 -61.88 -34.92 19.30 0.52 80.18 9.79 4.17 6.71 69.30 9.51 0.03 0.28 0.20 10 A H H 61.33 3.27 15.23 19.29 92.21 57.49 -65.17 -36.82 13.23 0.22 86.54 3.24 1.96 7.66 72.95 13.92 0.05 0.14 0.08 11 S H H 26.92 12.46 12.24 25.73 93.14 52.00 -69.11 -33.89 8.51 0.19 91.30 2.44 1.20 4.53 73.82 17.80 0.03 0.12 0.05 12 A H H 39.54 11.84 13.21 25.85 91.91 61.37 -64.15 -32.68 8.58 0.23 91.18 2.18 1.20 4.76 71.89 19.66 0.09 0.14 0.08 13 K H H 143.90 2.09 19.10 21.05 91.73 59.01 -72.12 -19.28 28.06 0.34 71.60 2.56 2.37 21.44 53.07 20.14 0.08 0.22 0.13 14 R C T 103.12 9.07 16.51 26.28 96.17 53.32 -87.84 -11.99 51.96 0.94 47.10 4.31 6.70 39.09 34.90 13.82 0.12 0.64 0.42 15 F E E 47.74 17.76 11.82 29.28 123.10 73.42 -110.22 142.05 21.88 76.87 1.25 17.31 4.44 1.33 0.80 0.61 0.00 72.99 2.52 16 R E E 121.81 4.67 19.21 24.99 128.23 -169.52 -124.77 149.18 4.31 95.66 0.03 4.12 0.16 0.02 0.02 0.01 0.00 95.43 0.23 17 V E E 82.47 9.10 12.03 22.33 116.09 -121.47 -91.63 130.55 3.59 96.38 0.02 3.60 0.12 0.01 0.02 0.01 0.00 92.50 3.74 18 T C C 50.48 7.07 9.78 18.82 123.86 -141.81 -87.88 171.56 90.85 9.10 0.05 91.16 0.37 0.07 0.01 0.02 0.00 7.79 0.58 19 G C T 67.82 0.61 10.34 10.80 90.96 -93.28 -64.03 -22.28 96.31 2.11 1.57 1.52 11.03 83.84 0.06 1.71 0.00 1.58 0.26 20 K C T 162.06 0.73 11.27 11.27 93.58 56.52 -88.89 0.15 98.16 0.19 1.65 0.67 8.18 89.07 0.05 1.87 0.00 0.10 0.05 21 G C S 42.35 4.93 11.16 17.89 97.27 -103.02 86.65 6.01 98.27 0.42 1.31 10.52 79.68 8.11 0.09 1.20 0.00 0.25 0.15 22 K C C 99.68 4.65 14.13 20.45 119.30 133.17 -85.45 146.17 88.74 11.20 0.06 86.18 2.83 0.16 0.02 0.03 0.00 9.44 1.34 23 I E E 54.30 13.16 12.21 26.51 116.72 -126.14 -94.61 131.13 0.93 99.06 0.00 0.96 0.02 0.00 0.00 0.00 0.00 98.23 0.79 24 V E E 52.36 8.95 17.97 28.36 127.06 -171.86 -121.45 145.20 1.66 98.34 0.00 1.61 0.04 0.00 0.00 0.00 0.00 98.31 0.03 25 R E E 95.54 13.23 15.33 28.70 120.74 -142.36 -102.34 137.22 9.73 90.22 0.06 9.05 0.46 0.04 0.04 0.02 0.00 89.96 0.43 26 R C C 90.80 10.52 14.35 25.81 122.01 -151.09 -98.22 146.63 60.19 39.48 0.33 57.69 1.98 0.26 0.13 0.18 0.00 38.42 1.36 27 R C C 125.50 6.08 14.87 22.13 115.62 -107.21 -74.32 147.23 91.67 5.43 2.90 86.01 3.92 2.04 0.90 1.90 0.00 3.69 1.55 28 A C T 68.43 6.33 11.76 19.67 111.21 -96.12 -62.46 140.78 83.92 0.60 15.48 5.17 9.98 68.27 3.29 12.51 0.01 0.32 0.45 29 G C T 56.44 2.26 14.40 17.27 94.96 20.40 79.23 -0.67 83.42 0.36 16.22 8.67 8.46 65.62 4.11 12.63 0.00 0.18 0.32 30 K C C 100.58 7.40 10.53 19.36 99.31 118.15 -81.26 -0.52 69.95 0.97 29.08 48.10 10.43 10.54 10.98 18.85 0.00 0.38 0.72 31 Q H G 114.71 4.86 11.84 18.21 101.33 88.96 -71.42 -24.82 48.48 0.94 50.58 19.78 9.38 18.34 14.79 36.66 0.02 0.44 0.59 32 H H G 126.67 3.29 12.56 17.01 94.23 61.89 -71.17 -20.34 45.08 0.61 54.31 8.03 8.24 27.51 15.46 40.01 0.05 0.31 0.39 33 L H G 86.46 5.77 12.11 19.43 96.51 55.12 -87.52 -7.50 47.64 1.31 51.05 14.77 8.58 23.80 15.09 36.19 0.08 0.62 0.87 34 L C C 64.11 11.18 9.35 21.16 95.73 86.27 -72.41 -14.40 54.58 1.51 43.91 35.14 8.06 11.10 12.55 31.39 0.00 0.62 1.13 35 A C T 84.40 2.09 12.34 15.63 92.83 83.44 -66.49 -23.43 66.09 0.38 33.53 6.35 8.13 50.20 7.63 27.19 0.00 0.19 0.31 36 K C T 168.10 0.68 12.95 12.51 95.73 51.33 -91.67 0.72 67.65 0.38 31.97 7.23 9.00 50.27 4.75 28.28 0.00 0.20 0.27 37 K C S 67.12 12.04 5.94 17.68 121.23 99.36 -84.58 149.84 98.22 0.72 1.06 43.53 54.00 0.57 0.72 0.21 0.00 0.13 0.85 38 N C C 90.24 1.60 13.32 14.74 117.83 -106.75 -70.37 159.18 99.42 0.27 0.31 98.58 0.83 0.08 0.22 0.02 0.00 0.06 0.21 39 T H H 107.84 1.69 10.49 13.41 91.47 -104.16 -59.70 -37.43 3.44 0.01 96.55 0.59 0.54 2.04 95.96 0.86 0.00 0.00 0.00 40 K H H 148.12 0.80 13.20 12.93 91.78 52.69 -64.93 -40.13 2.60 0.01 97.39 0.29 0.27 1.90 96.56 0.97 0.00 0.00 0.00 41 R H H 103.07 5.10 11.77 18.55 92.62 48.17 -66.67 -39.84 1.49 0.01 98.49 0.29 0.15 0.96 97.51 1.08 0.00 0.01 0.00 42 K H H 87.15 7.64 11.64 20.79 92.11 52.15 -63.75 -40.63 1.13 0.01 98.86 0.21 0.10 0.68 98.16 0.85 0.00 0.00 0.00 43 N H H 100.18 1.51 15.68 16.44 91.80 50.43 -65.33 -38.79 4.20 0.01 95.79 0.31 0.23 3.46 93.62 2.38 0.00 0.00 0.00 44 R H H 138.40 2.67 15.44 18.58 92.58 51.07 -67.72 -35.04 9.51 0.02 90.47 0.43 0.44 8.44 88.01 2.66 0.01 0.00 0.01 45 L H H 51.38 12.81 11.04 24.35 94.00 53.43 -76.11 -19.57 20.99 0.33 78.68 3.57 2.63 14.86 75.61 2.96 0.07 0.15 0.16 46 S C T 68.17 5.75 14.41 21.48 95.28 69.08 -73.84 -14.15 63.42 2.59 33.99 20.60 10.28 32.37 30.98 3.35 0.05 1.23 1.13 47 K C C 136.36 2.26 16.60 19.12 114.83 83.49 -91.40 138.49 85.33 6.03 8.63 32.84 23.43 29.59 5.48 2.88 0.01 4.83 0.94 48 L C C 89.01 11.03 11.23 22.84 116.00 -117.36 -77.42 137.58 83.63 15.44 0.93 73.10 8.13 1.54 0.33 0.53 0.00 15.56 0.81 49 I E E 76.50 7.96 15.61 25.01 126.31 -174.31 -125.72 142.51 22.35 77.47 0.18 20.55 1.42 0.17 0.10 0.09 0.00 74.12 3.54 50 Q E E 112.81 5.44 18.08 24.84 114.13 -116.40 -79.63 135.41 12.20 87.75 0.06 11.49 0.48 0.05 0.04 0.02 0.00 83.38 4.54 51 V C C 23.74 20.02 9.38 28.39 123.72 -157.55 -109.60 143.23 51.40 48.57 0.03 51.34 0.76 0.03 0.01 0.02 0.00 46.33 1.51 52 D C C 71.03 3.73 18.82 22.63 127.98 -152.18 -106.58 167.36 90.23 9.74 0.04 90.19 0.72 0.04 0.01 0.01 0.00 8.65 0.37 53 R H G 164.00 4.22 13.07 19.29 91.00 -97.43 -60.37 -30.91 16.32 0.10 83.58 1.16 1.48 13.20 10.03 74.04 0.00 0.07 0.03 54 S H G 86.58 1.26 15.69 16.11 91.10 61.67 -71.36 -19.73 16.43 0.06 83.50 0.58 1.09 14.70 9.61 73.94 0.00 0.04 0.03 55 D H G 39.90 13.47 11.57 25.74 97.44 49.33 -100.57 4.40 15.42 0.17 84.41 3.26 1.87 9.70 9.35 75.66 0.00 0.10 0.05 56 Y H H 79.56 14.64 12.11 26.67 92.68 99.76 -59.79 -42.72 2.64 0.00 97.35 0.93 0.27 1.26 96.25 1.29 0.00 0.00 0.00 57 D H H 113.10 1.15 19.15 18.82 91.88 50.79 -64.86 -38.82 1.08 0.00 98.92 0.12 0.07 0.77 98.23 0.81 0.00 0.00 0.00 58 N H H 82.90 4.37 18.24 23.09 92.54 48.91 -66.72 -40.15 0.50 0.00 99.50 0.07 0.03 0.34 98.83 0.72 0.00 0.00 0.00 59 V H H 17.90 19.06 13.68 32.68 92.77 49.20 -65.92 -42.61 0.26 0.00 99.73 0.02 0.01 0.19 99.29 0.49 0.00 0.00 0.00 60 I H H 70.71 11.13 16.59 28.15 91.64 51.51 -63.62 -38.98 1.08 0.00 98.92 0.05 0.03 0.97 98.09 0.86 0.00 0.00 0.00 61 G H H 49.00 2.00 19.60 20.82 91.77 54.67 -68.08 -27.05 16.22 0.00 83.78 0.15 0.23 16.91 81.42 1.27 0.01 0.00 0.00 62 A H H 46.95 8.93 15.52 25.57 94.54 53.64 -84.91 -14.81 38.25 0.03 61.72 0.78 1.43 35.71 60.24 1.80 0.01 0.01 0.03 63 L C C 39.45 17.19 10.75 27.30 110.49 91.51 -80.91 121.95 68.92 1.11 29.98 36.64 26.02 7.08 17.45 11.57 0.01 0.35 0.89 64 P C G 82.16 4.24 16.28 21.46 95.89 -161.76 -65.17 -25.84 51.32 0.83 47.85 18.63 6.84 25.09 22.19 26.38 0.02 0.43 0.43 65 Y H H 133.13 4.84 14.76 20.63 99.18 50.55 -84.55 -1.54 44.44 2.06 53.51 15.08 6.47 22.37 28.72 25.30 0.08 1.21 0.78 66 L H H 68.87 10.94 10.93 22.55 103.44 104.98 -72.35 39.57 43.26 3.17 53.57 25.99 7.84 9.77 34.83 18.64 0.04 1.89 1.01 67 K H H 129.25 3.67 13.60 18.54 102.61 57.08 -81.53 23.62 47.06 4.94 48.00 28.75 8.02 11.01 34.24 13.25 0.06 3.18 1.48 68 V H H 85.38 5.62 10.92 18.02 105.03 114.12 -85.65 4.76 47.37 3.99 48.63 22.00 10.22 16.43 35.76 11.67 0.12 2.46 1.34 69 N C H 97.68 4.65 10.06 16.23 108.11 60.25 -92.40 76.50 55.91 2.61 41.48 25.66 10.64 20.42 30.65 10.09 0.06 1.45 1.03 70 R C C 155.67 3.28 8.84 13.94 106.12 147.62 -85.74 57.94 67.22 3.59 29.19 35.72 14.99 17.01 21.08 7.82 0.04 1.94 1.40 71 K C C 156.99 1.62 9.28 12.20 107.65 120.42 -86.24 89.95 82.57 2.89 14.54 69.23 1.81 12.08 11.04 2.89 0.00 1.76 1.18 72 V C C 101.12 4.41 9.51 15.68 110.90 -155.12 -91.41 116.60 99.92 0.05 0.03 99.84 0.06 0.05 0.02 0.00 0.00 0.02 0.01