# 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 E C C 135.57 2.73 14.27 18.13 112.99 -146.74 -87.70 129.36 99.84 0.09 0.07 99.73 0.11 0.07 0.04 0.00 0.00 0.04 0.02 1 L C C 95.31 8.04 8.99 18.29 115.39 -143.06 -90.12 133.10 91.49 1.60 6.91 87.36 1.38 2.44 6.81 0.53 0.00 0.61 0.87 2 N C C 76.36 5.10 11.36 18.15 121.15 -161.54 -97.28 159.33 90.46 1.20 8.34 79.23 7.30 2.64 8.97 0.73 0.00 0.43 0.71 3 K H H 146.52 1.99 14.54 17.13 93.24 -110.78 -60.98 -36.28 11.72 0.18 88.10 5.03 2.42 5.04 84.20 3.13 0.02 0.08 0.07 4 A H H 35.25 10.60 13.00 24.84 92.48 52.56 -65.43 -40.60 8.28 0.15 91.57 2.88 1.33 4.38 87.01 4.23 0.02 0.09 0.05 5 D H H 49.63 11.69 13.54 26.05 92.09 51.37 -64.96 -39.05 5.73 0.14 94.13 2.43 0.90 2.68 88.71 5.13 0.01 0.10 0.03 6 A H H 62.03 3.25 17.45 21.09 92.37 53.03 -65.09 -38.04 7.09 0.17 92.74 2.72 1.12 3.60 87.57 4.81 0.02 0.11 0.05 7 K H H 107.00 5.42 18.04 24.20 93.00 51.26 -68.66 -33.21 13.71 0.36 85.94 3.62 1.88 8.60 81.41 4.09 0.06 0.22 0.13 8 L H H 37.69 16.67 13.57 29.88 96.26 57.42 -73.81 -23.33 24.74 0.90 74.35 8.99 4.83 12.81 68.94 3.49 0.08 0.43 0.43 9 G H H 35.50 8.83 16.73 26.17 99.62 67.78 -64.78 -27.05 43.85 1.34 54.81 21.71 6.96 16.61 47.46 5.94 0.05 0.71 0.56 10 T H H 80.30 5.58 16.36 22.92 104.13 59.32 -88.46 -1.09 47.22 2.60 50.19 19.71 10.76 18.61 38.67 9.63 0.17 1.42 1.05 11 E C H 93.87 9.40 14.86 24.87 104.30 61.06 -85.39 17.53 50.18 3.26 46.56 21.06 11.21 19.80 34.71 9.86 0.21 1.74 1.39 12 F C T 92.94 12.01 12.56 24.69 107.58 76.37 -89.98 94.47 63.79 2.75 33.46 17.58 14.14 32.64 23.07 9.55 0.19 1.31 1.51 13 G C T 44.39 6.20 15.40 22.41 108.66 3.77 67.11 -117.73 83.50 1.34 15.16 22.62 20.07 41.72 6.57 7.61 0.01 0.66 0.73 14 K C C 138.88 3.73 17.07 21.85 111.85 9.79 -87.78 124.81 85.41 4.55 10.04 42.69 28.45 15.07 2.72 6.85 0.01 2.85 1.36 15 K C C 111.35 9.84 16.71 27.09 115.95 -116.11 -81.80 137.47 76.44 20.81 2.76 62.30 9.94 3.14 1.01 1.88 0.00 17.22 4.51 16 L E C 29.37 18.92 13.92 32.51 118.21 -145.16 -97.44 135.75 44.96 54.75 0.30 40.85 2.67 0.21 0.19 0.14 0.00 36.03 19.91 17 D C C 60.29 7.38 24.41 32.29 107.19 -131.96 -87.95 110.53 57.72 42.20 0.08 59.23 0.64 0.06 0.04 0.03 0.00 32.78 7.21 18 L C T 10.86 24.85 15.02 40.10 92.63 -161.64 -64.84 -28.25 90.05 0.71 9.25 3.87 4.39 81.77 0.44 8.83 0.00 0.43 0.27 19 N C T 60.88 14.54 19.20 33.23 92.21 63.69 -74.20 -16.20 92.81 0.13 7.06 0.24 1.86 91.95 0.16 5.69 0.00 0.06 0.05 20 N C T 102.01 3.36 22.01 25.55 101.17 38.70 -110.20 2.61 90.55 0.39 9.05 2.08 5.49 82.03 0.28 9.72 0.00 0.23 0.16 21 S C C 14.28 19.91 11.05 30.56 120.80 115.68 -79.44 149.44 98.85 1.05 0.10 87.15 11.30 0.17 0.06 0.04 0.00 0.25 1.04 22 S C C 49.20 4.77 23.91 28.31 121.16 -118.82 -83.57 155.88 89.98 9.85 0.17 88.00 0.72 0.04 0.13 0.02 0.00 0.96 10.13 23 I H H 47.42 18.26 13.87 31.70 92.02 -112.95 -59.54 -37.12 4.02 0.02 95.96 0.57 0.46 2.84 85.97 10.14 0.01 0.01 0.01 24 R H H 147.30 2.20 21.01 22.80 91.35 54.87 -63.31 -39.97 1.65 0.01 98.34 0.08 0.08 1.41 84.93 13.49 0.00 0.00 0.00 25 E H H 69.09 8.38 19.13 28.49 91.85 49.49 -65.82 -39.25 0.95 0.00 99.05 0.05 0.05 0.78 84.47 14.64 0.00 0.00 0.00 26 F H H 4.17 25.86 11.97 38.05 91.12 50.99 -66.75 -35.80 2.33 0.01 97.66 0.12 0.11 1.93 83.86 13.96 0.00 0.00 0.00 27 R H T 116.61 10.50 17.87 28.68 90.95 61.48 -66.35 -25.46 47.21 0.08 52.71 0.87 0.97 47.41 43.86 6.74 0.03 0.04 0.08 28 Q C T 129.83 2.19 20.84 22.79 92.00 60.85 -79.30 -11.92 81.13 0.07 18.79 1.10 2.20 80.47 11.56 4.54 0.00 0.03 0.08 29 Y C S 29.84 20.73 10.46 30.68 115.20 97.29 -83.89 132.24 99.47 0.32 0.21 7.62 91.48 0.37 0.10 0.02 0.00 0.05 0.36 30 P C T 84.49 5.00 22.01 27.34 109.67 -101.63 -62.72 136.52 99.68 0.04 0.28 0.24 2.59 96.94 0.03 0.16 0.00 0.02 0.03 31 G C T 31.32 10.37 19.83 30.47 95.97 22.79 87.51 -4.74 99.84 0.03 0.13 0.43 2.18 97.26 0.01 0.10 0.00 0.02 0.01 32 M C C 11.02 24.14 12.03 36.14 118.02 112.11 -97.13 131.80 93.80 6.09 0.11 79.94 11.59 0.22 0.06 0.04 0.00 1.22 6.94 33 F C C 84.40 7.26 23.87 31.09 121.90 -149.58 -90.56 150.15 99.82 0.14 0.03 99.42 0.44 0.02 0.02 0.00 0.00 0.03 0.08 34 P H H 63.44 12.69 16.89 29.74 91.86 -111.60 -58.35 -37.75 2.86 0.00 97.14 0.34 0.24 1.93 97.23 0.27 0.00 0.00 0.00 35 T H H 78.68 3.35 23.89 26.84 91.70 53.32 -64.30 -39.66 1.01 0.00 98.99 0.09 0.05 0.71 98.95 0.18 0.00 0.00 0.00 36 L H H 20.58 17.52 20.45 37.78 91.94 48.50 -65.22 -41.81 0.14 0.00 99.86 0.02 0.01 0.08 99.80 0.09 0.00 0.00 0.00 37 A H H 2.11 25.46 16.93 42.96 91.09 51.56 -62.54 -43.31 0.05 0.00 99.95 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 38 K H H 98.94 7.38 24.59 32.42 91.07 51.80 -62.76 -41.32 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 39 M H H 59.12 8.59 24.09 33.25 91.69 50.61 -64.26 -42.49 0.21 0.00 99.79 0.01 0.01 0.15 99.79 0.03 0.00 0.00 0.00 40 I H H 2.74 25.74 18.38 44.39 91.72 49.50 -64.09 -43.85 0.34 0.00 99.66 0.04 0.02 0.22 99.61 0.10 0.00 0.00 0.00 41 I H H 28.10 19.32 19.29 37.79 91.93 48.75 -64.99 -39.70 1.40 0.01 98.59 0.24 0.08 0.93 97.99 0.76 0.00 0.00 0.00 42 D H H 105.58 2.34 23.41 25.51 92.10 50.85 -69.04 -30.09 6.84 0.00 93.16 0.24 0.25 6.18 92.57 0.76 0.00 0.00 0.00 43 A H H 40.60 11.43 17.88 29.99 98.53 42.60 -97.24 -6.01 24.54 0.05 75.41 1.60 2.52 19.87 75.02 0.90 0.03 0.01 0.05 44 A C S 23.22 19.48 14.78 33.35 116.97 131.93 -69.87 147.66 98.79 0.29 0.92 37.52 47.66 13.55 0.23 0.75 0.00 0.11 0.19 45 P C C 68.86 8.12 22.08 30.28 108.67 40.74 -71.83 132.77 99.21 0.33 0.46 51.14 33.87 14.02 0.04 0.61 0.00 0.16 0.16 46 Y C C 33.09 19.01 13.18 31.95 129.92 152.18 -125.41 149.75 91.84 7.73 0.43 88.12 2.30 0.63 0.14 0.23 0.00 2.09 6.49 47 D C S 103.82 4.27 20.95 26.31 98.04 -156.09 -95.19 -14.18 99.41 0.50 0.09 49.21 49.83 0.47 0.03 0.05 0.00 0.20 0.21 48 S C S 41.16 5.53 24.23 30.26 140.06 12.32 -149.71 162.15 92.01 7.53 0.46 9.40 82.48 0.16 0.31 0.04 0.00 0.71 6.91 49 V H H 17.16 22.74 13.77 36.44 91.17 -105.06 -60.64 -35.90 4.07 0.01 95.92 0.19 0.40 3.30 82.62 13.47 0.01 0.01 0.01 50 Q H H 100.25 5.28 21.43 27.58 91.18 60.39 -61.86 -38.78 1.64 0.00 98.35 0.06 0.07 1.40 83.13 15.34 0.00 0.00 0.00 51 E H H 67.24 6.83 20.65 28.58 91.53 52.48 -65.48 -37.81 0.44 0.00 99.56 0.03 0.02 0.36 82.88 16.71 0.00 0.00 0.00 52 V H H 2.62 25.78 14.31 40.56 91.22 51.74 -64.46 -40.75 0.91 0.00 99.09 0.05 0.04 0.74 81.92 17.25 0.00 0.00 0.00 53 L H H 43.86 16.04 17.71 33.79 90.35 57.45 -67.94 -22.88 24.72 0.02 75.26 0.40 0.48 25.31 50.47 23.30 0.01 0.01 0.02 54 E C T 139.17 2.06 21.85 23.47 92.64 59.10 -85.58 -4.59 72.96 0.02 27.01 0.95 1.31 74.51 12.75 10.44 0.00 0.01 0.03 55 I C S 20.19 20.73 9.05 29.21 113.61 112.77 -75.13 130.90 99.75 0.16 0.09 19.95 79.51 0.24 0.05 0.02 0.00 0.03 0.21 56 P C T 103.72 2.18 19.31 21.48 111.13 -108.70 -61.97 137.66 99.77 0.04 0.19 0.50 2.70 96.63 0.01 0.13 0.00 0.01 0.02 57 G C T 53.78 2.75 17.99 21.33 95.25 21.65 85.20 -2.45 99.89 0.01 0.09 0.92 2.04 96.95 0.01 0.07 0.00 0.01 0.00 58 L C C 16.07 23.16 7.16 28.34 115.98 133.55 -80.16 134.70 99.39 0.53 0.08 89.68 9.25 0.13 0.03 0.03 0.00 0.10 0.78 59 T C C 66.36 2.89 19.71 22.13 124.09 -142.45 -86.26 166.27 99.81 0.12 0.07 99.51 0.31 0.03 0.04 0.00 0.00 0.02 0.08 60 D H H 110.67 2.72 15.11 19.31 91.15 -99.13 -58.56 -38.38 1.91 0.00 98.09 0.32 0.26 1.08 97.84 0.49 0.00 0.00 0.00 61 A H H 68.27 2.27 17.78 19.79 91.66 52.51 -64.36 -40.55 1.03 0.00 98.97 0.11 0.07 0.69 98.56 0.56 0.00 0.00 0.00 62 Q H H 34.67 16.36 14.77 31.13 91.98 49.21 -65.64 -40.70 0.41 0.00 99.59 0.07 0.03 0.24 99.09 0.57 0.00 0.00 0.00 63 K H H 56.31 15.38 15.79 31.01 91.39 52.42 -62.43 -41.92 0.10 0.00 99.90 0.01 0.00 0.05 99.80 0.12 0.00 0.00 0.00 64 E H H 108.61 1.91 22.62 22.72 91.39 50.45 -63.66 -41.51 0.11 0.00 99.89 0.01 0.00 0.08 99.70 0.21 0.00 0.00 0.00 65 I H H 43.66 8.97 19.31 29.82 91.47 49.56 -63.83 -42.82 0.22 0.00 99.78 0.01 0.01 0.18 99.47 0.33 0.00 0.00 0.00 66 I H H 3.50 25.52 13.95 39.85 91.42 49.55 -64.61 -41.39 0.57 0.00 99.43 0.03 0.02 0.49 98.34 1.12 0.00 0.00 0.00 67 E H H 93.48 10.89 18.51 29.60 90.72 55.89 -63.16 -34.56 3.66 0.01 96.34 0.13 0.10 3.38 85.75 10.62 0.00 0.00 0.00 68 R H H 162.44 1.71 21.85 22.56 91.27 56.25 -71.61 -23.24 29.90 0.02 70.08 0.28 0.46 31.78 56.17 11.28 0.01 0.01 0.01 69 Y H T 60.34 14.99 15.79 31.06 98.92 42.50 -101.85 -6.85 49.42 0.13 50.45 1.39 1.82 45.71 38.71 12.21 0.02 0.06 0.07 70 I C C 30.43 21.69 11.78 32.25 115.41 93.53 -87.49 128.29 55.84 37.61 6.54 42.83 9.00 3.61 3.43 3.54 0.03 30.51 7.06 71 G C E 36.80 5.66 19.86 25.94 123.16 -167.68 -108.12 -147.60 55.33 41.87 2.80 34.50 17.21 5.68 0.67 2.02 0.01 38.65 1.27 72 E E E 127.90 4.27 18.16 23.52 114.11 -45.61 -97.96 127.40 33.38 63.69 2.94 23.42 8.54 3.77 0.61 2.14 0.00 60.24 1.27 73 F E E 66.96 18.13 11.06 27.94 125.59 -170.57 -118.51 142.01 28.39 70.86 0.75 25.23 2.74 0.67 0.26 0.44 0.00 69.06 1.59 74 T E E 75.11 4.92 19.81 25.68 124.05 -161.23 -119.53 140.79 31.44 68.32 0.24 29.43 1.47 0.25 0.10 0.13 0.00 66.17 2.46 75 I C C 71.67 14.89 12.33 27.00 117.82 -147.13 -104.08 130.18 52.92 46.92 0.17 45.95 5.66 0.36 0.06 0.11 0.00 44.49 3.36 76 T C C 59.29 7.34 14.39 23.35 123.43 -161.32 -108.85 148.95 80.41 19.50 0.09 64.55 15.46 0.35 0.03 0.07 0.00 18.17 1.38 77 P C C 99.28 2.62 17.64 20.64 113.85 -94.87 -66.04 147.39 94.07 5.79 0.15 85.01 8.57 0.44 0.05 0.09 0.00 5.35 0.50 78 V C C 66.36 13.92 9.48 23.05 113.42 -107.42 -72.72 137.79 94.43 4.75 0.82 91.80 2.49 0.45 0.46 0.26 0.00 2.26 2.28 79 E C C 89.53 6.51 12.77 20.97 114.02 -127.97 -84.64 137.74 95.81 0.82 3.37 94.01 1.81 0.51 2.50 0.41 0.00 0.30 0.46 80 P H G 95.76 2.76 13.95 17.79 93.85 -124.09 -60.56 -32.81 25.74 0.47 73.79 6.23 3.58 14.35 36.74 38.63 0.02 0.28 0.17 81 I H H 86.39 5.46 13.17 20.13 93.43 59.72 -68.86 -30.22 22.00 0.85 77.15 4.92 3.07 12.46 39.49 39.23 0.04 0.56 0.23 82 L H H 55.07 12.13 10.64 23.19 95.67 55.97 -79.13 -23.32 19.58 1.96 78.45 7.50 3.98 8.34 40.02 38.36 0.05 1.33 0.42 83 Q H H 97.12 6.51 12.86 20.55 101.53 54.96 -89.97 -5.20 41.32 6.70 51.98 18.29 10.78 14.52 34.71 14.81 0.60 3.63 2.67 84 E C T 123.86 3.07 13.15 17.16 103.25 63.60 -89.93 15.10 67.15 3.92 28.93 17.21 18.83 32.14 19.66 8.04 0.21 1.85 2.08 85 G C T 44.12 5.07 12.27 18.68 109.73 -55.79 78.05 -34.72 77.68 1.14 21.17 15.90 19.75 42.77 7.57 12.66 0.02 0.53 0.81 86 D C T 99.50 4.12 13.35 18.60 100.16 75.70 -84.93 8.36 71.99 1.97 26.04 25.04 18.86 29.27 7.69 17.07 0.02 0.91 1.14 87 F C C 97.69 9.15 11.50 21.59 104.70 99.41 -87.70 37.02 66.48 5.77 27.75 35.67 15.26 16.59 9.54 17.36 0.05 3.13 2.39 88 R C C 122.85 7.15 12.99 21.30 108.17 122.42 -83.42 116.00 64.62 11.58 23.80 35.92 14.40 14.80 10.91 12.51 0.14 6.49 4.82 89 L C C 97.80 6.81 12.69 20.56 103.31 -143.49 -86.33 4.67 69.16 10.33 20.51 31.46 18.66 20.39 9.45 10.02 0.16 5.97 3.87 90 N C C 85.89 6.85 11.04 19.27 109.21 73.12 -101.87 96.44 77.93 7.25 14.82 39.63 20.21 19.05 5.77 8.32 0.04 3.97 3.01 91 T C T 91.28 4.25 11.58 17.37 101.14 173.73 -89.81 7.21 84.61 3.88 11.51 27.62 21.92 36.21 3.50 7.07 0.01 2.17 1.49 92 G C T 47.52 4.33 11.08 16.95 105.61 -103.91 81.96 12.97 86.92 6.48 6.60 30.78 21.91 35.42 1.41 4.69 0.01 4.24 1.54 93 V C C 96.38 4.47 10.44 16.56 112.66 119.23 -94.75 120.59 80.23 16.26 3.51 68.22 4.45 7.09 1.23 1.95 0.00 10.52 6.54 94 Y C C 119.27 8.92 11.60 21.45 115.04 -166.22 -102.38 125.59 98.76 1.21 0.03 98.69 0.28 0.07 0.01 0.01 0.00 0.82 0.13