# 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 107.92 6.98 12.44 20.40 113.55 -167.07 -92.93 131.26 99.88 0.10 0.02 99.80 0.09 0.04 0.01 0.00 0.00 0.05 0.01 1 G C C 45.20 5.01 10.37 16.79 115.64 -137.56 -82.07 159.71 92.20 2.33 5.47 87.86 1.27 3.78 3.50 1.25 0.00 1.16 1.19 2 V C C 108.93 3.12 8.48 13.11 107.91 -118.89 -87.33 67.32 76.57 3.50 19.93 50.23 14.29 12.10 13.93 5.95 0.01 1.75 1.74 3 F C C 146.58 2.97 9.01 13.48 108.80 83.12 -90.15 101.05 70.73 2.52 26.75 41.87 15.36 13.77 18.60 7.97 0.01 1.31 1.10 4 A C C 70.89 4.46 8.75 14.87 111.20 -143.25 -89.34 120.66 67.12 1.55 31.33 45.72 10.83 10.28 22.86 8.80 0.00 0.77 0.72 5 K C C 140.91 3.26 9.88 14.67 107.85 -148.35 -84.78 111.74 57.56 1.62 40.82 39.54 8.98 9.17 32.00 8.79 0.01 0.84 0.67 6 R C C 163.56 2.76 10.11 14.39 106.50 -145.85 -85.27 83.67 56.79 1.65 41.56 37.28 9.58 10.03 33.93 7.66 0.01 0.88 0.62 7 T C C 84.76 4.54 9.89 16.02 110.41 104.19 -95.85 117.19 60.41 2.18 37.41 42.13 8.76 9.22 31.63 6.28 0.01 1.20 0.77 8 M C C 116.06 4.93 10.41 16.85 108.57 -145.38 -88.06 95.39 62.70 2.33 34.97 43.08 11.78 7.18 31.94 3.97 0.01 1.24 0.78 9 T C C 79.65 5.30 10.85 17.66 109.60 97.00 -92.05 120.57 62.43 2.70 34.87 43.54 10.85 7.09 32.55 3.61 0.01 1.49 0.87 10 K C H 130.92 4.03 12.06 17.48 104.10 -136.63 -82.16 15.99 57.07 2.40 40.54 36.01 11.53 9.47 36.20 4.63 0.01 1.32 0.81 11 T C C 71.11 7.36 10.91 19.56 108.44 91.16 -89.14 94.33 57.59 1.96 40.45 35.83 11.46 10.51 35.06 5.34 0.01 1.03 0.75 12 R C H 135.42 6.01 12.67 19.97 104.43 65.32 -84.98 15.70 56.93 1.77 41.30 33.51 12.61 11.22 34.51 6.51 0.02 0.89 0.72 13 R C C 131.56 6.50 12.99 20.72 108.54 62.30 -87.35 109.39 59.87 1.93 38.21 36.68 12.40 10.88 31.48 6.76 0.02 0.94 0.84 14 R C C 126.58 7.98 12.96 21.97 109.53 -130.06 -83.70 115.36 63.14 2.33 34.53 44.03 9.64 9.08 28.50 6.55 0.01 1.14 1.06 15 L C C 93.70 7.90 14.16 22.98 105.90 -162.68 -91.50 30.60 65.22 1.82 32.95 44.66 10.44 9.30 27.98 5.92 0.01 0.86 0.84 16 R C C 97.44 10.77 12.97 24.31 116.44 73.46 -90.31 142.17 69.70 1.87 28.44 43.13 16.88 8.97 25.00 4.27 0.02 0.72 1.01 17 D C C 71.49 5.68 17.36 23.83 113.65 -111.63 -78.46 140.09 76.00 1.25 22.75 66.71 4.76 3.36 22.55 1.49 0.00 0.48 0.65 18 L H H 69.26 12.54 13.37 26.26 93.67 -127.34 -60.85 -37.05 2.71 0.01 97.27 1.15 0.38 1.04 97.05 0.37 0.00 0.01 0.00 19 D H H 83.20 3.17 18.37 21.69 91.92 54.79 -64.91 -38.72 1.45 0.01 98.54 0.46 0.16 0.74 98.23 0.39 0.00 0.00 0.00 20 Q H H 66.16 6.01 17.66 25.00 92.03 50.81 -65.23 -40.45 0.61 0.01 99.38 0.23 0.07 0.30 99.02 0.38 0.00 0.00 0.00 21 I H H 19.14 17.76 14.41 32.63 92.19 50.40 -64.63 -42.95 0.37 0.01 99.62 0.14 0.03 0.18 99.46 0.18 0.00 0.00 0.00 22 E H H 77.64 8.99 18.44 28.13 91.16 51.29 -62.52 -41.92 0.44 0.01 99.56 0.12 0.04 0.25 99.33 0.25 0.00 0.00 0.00 23 R H H 134.18 1.86 21.69 21.94 91.74 50.26 -64.47 -40.95 0.78 0.01 99.21 0.13 0.06 0.54 98.72 0.53 0.00 0.00 0.00 24 D H H 32.86 11.99 16.57 29.75 91.94 50.65 -65.72 -37.28 2.00 0.00 98.00 0.17 0.11 1.57 96.77 1.37 0.00 0.00 0.00 25 L H H 29.04 18.42 14.12 32.40 91.97 54.13 -71.00 -23.70 16.82 0.01 83.17 0.35 0.42 16.65 80.58 1.98 0.01 0.00 0.01 26 R C T 148.03 3.91 18.49 23.12 94.18 58.65 -87.79 -7.60 60.87 0.05 39.08 1.45 2.61 55.89 37.78 2.20 0.01 0.01 0.05 27 S C S 40.35 6.92 11.55 21.01 113.67 103.91 -76.09 131.99 99.21 0.29 0.50 45.36 53.48 0.21 0.55 0.04 0.00 0.04 0.31 28 P H H 98.58 2.93 12.94 17.53 92.37 -135.50 -59.49 -34.86 6.38 0.01 93.62 0.44 0.56 5.24 90.95 2.80 0.01 0.00 0.00 29 R H H 155.08 1.34 15.67 16.34 91.79 54.83 -64.73 -38.67 4.36 0.01 95.64 0.22 0.25 3.81 92.52 3.18 0.01 0.00 0.00 30 H H H 45.78 10.22 12.77 24.63 92.33 48.85 -66.52 -40.59 2.14 0.01 97.85 0.25 0.15 1.56 94.59 3.44 0.00 0.00 0.00 31 L H H 39.93 12.83 11.94 25.68 91.98 51.87 -63.53 -40.57 1.73 0.01 98.26 0.25 0.14 1.16 94.99 3.45 0.00 0.00 0.00 32 Q H H 112.16 1.78 17.81 18.79 91.82 51.67 -65.36 -39.53 5.55 0.01 94.43 0.27 0.22 4.72 83.07 11.69 0.01 0.01 0.00 33 Q H H 106.47 3.03 16.39 19.83 91.94 52.48 -67.05 -33.28 18.99 0.02 81.00 0.42 0.57 18.43 69.56 10.98 0.02 0.00 0.01 34 Y H H 51.05 15.23 10.49 25.79 98.10 43.89 -99.93 0.99 40.07 0.16 59.78 4.46 2.94 31.22 45.33 15.80 0.03 0.07 0.15 35 K C T 120.19 7.44 12.91 22.07 91.84 95.94 -61.61 -30.99 69.39 0.49 30.12 6.44 4.92 56.60 20.35 11.01 0.03 0.22 0.44 36 E C T 160.10 0.70 16.34 15.14 95.03 50.24 -90.49 -1.62 76.64 0.32 23.04 7.13 6.99 62.37 10.73 12.34 0.01 0.16 0.27 37 T C C 45.40 13.17 8.67 22.15 116.91 109.05 -77.71 141.55 91.46 0.97 7.57 59.30 28.26 4.30 3.69 3.30 0.00 0.34 0.81 38 K C C 148.91 2.03 17.33 19.85 115.65 -129.54 -89.66 138.19 88.10 7.99 3.91 79.93 5.11 1.63 2.40 1.32 0.00 2.49 7.12 39 A C C 47.58 14.13 9.96 23.70 113.67 -113.09 -71.44 143.70 90.20 3.95 5.85 80.81 6.44 2.82 2.72 2.84 0.00 1.84 2.53 40 A C C 53.65 7.13 12.64 21.40 111.42 -110.68 -75.01 137.89 89.65 2.34 8.02 78.57 5.78 4.95 2.05 5.90 0.00 1.05 1.70 41 E C T 143.53 2.87 12.60 17.14 97.73 -139.23 -71.70 -22.42 90.17 1.25 8.58 12.62 16.05 61.18 1.10 7.57 0.00 0.65 0.81 42 D C T 111.30 2.60 13.14 16.64 99.74 54.03 -88.87 19.39 92.33 1.07 6.61 16.67 14.99 60.18 0.67 6.38 0.00 0.59 0.52 43 L C C 55.31 11.88 8.32 20.78 114.06 117.46 -95.16 126.35 95.42 3.12 1.45 53.57 39.69 1.85 0.54 0.75 0.00 0.87 2.72 44 P C T 88.65 3.68 14.56 19.29 110.47 -110.65 -64.75 144.32 84.49 1.40 14.10 22.45 12.90 48.80 2.64 11.62 0.00 0.66 0.92 45 G C T 45.90 5.83 16.05 22.60 100.16 11.37 73.59 -9.69 77.12 1.50 21.38 9.70 13.94 52.39 3.25 18.94 0.01 0.75 1.00 46 L C T 63.04 13.70 15.28 28.62 95.74 35.71 -69.19 -9.22 65.80 1.81 32.39 12.16 13.97 39.11 4.46 28.25 0.02 0.86 1.17 47 G C T 18.60 15.08 16.97 31.77 96.85 62.90 -51.36 -13.23 60.95 2.05 37.00 16.58 11.31 33.00 4.57 32.48 0.01 1.03 1.03 48 L C G 64.96 11.39 21.64 33.01 96.12 75.81 -78.95 -15.22 63.25 3.76 32.99 18.84 18.50 27.08 4.36 27.64 0.04 2.00 1.54 49 Y C C 50.10 16.67 20.55 36.92 103.71 60.74 -100.75 28.92 57.04 16.36 26.60 22.64 15.03 21.97 3.38 21.78 0.14 11.75 3.31 50 Y E B 45.20 16.09 22.45 38.54 126.28 99.54 -115.04 146.50 33.31 65.74 0.95 24.01 5.22 0.39 0.69 0.27 0.00 26.04 43.38 51 C C C 7.68 21.02 18.83 40.39 113.92 -112.87 -73.62 140.15 71.75 27.97 0.28 63.45 6.09 0.69 0.18 0.13 0.00 16.41 13.05 52 I C T 51.30 14.63 21.95 36.79 92.38 -127.26 -64.59 -32.71 98.16 0.10 1.74 0.18 3.83 94.86 0.10 0.92 0.00 0.04 0.06 53 E C T 67.15 13.21 21.27 34.14 94.96 50.35 -74.06 -38.45 98.12 0.03 1.85 0.07 1.60 97.34 0.06 0.90 0.00 0.01 0.02 54 C C T 35.30 12.50 19.11 32.48 100.13 25.36 -106.63 -12.99 97.21 0.08 2.70 0.28 1.97 96.13 0.14 1.41 0.00 0.03 0.04 55 A C C 38.32 13.82 18.53 32.74 94.83 -127.70 67.88 19.43 96.81 1.95 1.24 59.02 9.70 28.04 0.25 0.96 0.00 1.21 0.81 56 K C C 83.12 9.04 21.56 31.20 123.68 130.63 -93.17 149.27 81.93 17.40 0.67 37.68 32.90 11.39 0.07 0.82 0.00 15.11 2.02 57 W E E 80.44 13.80 20.45 34.35 117.44 -117.84 -86.25 137.54 27.02 72.46 0.52 20.05 5.15 0.96 0.23 0.39 0.01 52.32 20.90 58 F E E 20.04 19.29 13.98 33.59 127.01 -162.95 -120.09 148.64 33.72 66.23 0.05 34.01 0.52 0.04 0.04 0.02 0.00 44.34 21.03 59 E C S 119.40 5.50 20.47 26.81 97.09 -145.27 -86.75 -19.33 98.95 1.03 0.01 33.70 65.12 0.26 0.00 0.01 0.00 0.82 0.09 60 S C S 43.93 3.67 22.42 25.84 140.85 3.07 -155.65 168.40 98.61 1.14 0.25 7.42 91.35 0.17 0.17 0.02 0.00 0.14 0.74 61 E H H 108.36 9.76 14.24 24.91 90.77 -94.50 -60.63 -35.85 2.42 0.00 97.57 0.20 0.39 1.71 96.81 0.87 0.00 0.00 0.00 62 T H H 99.14 1.42 19.83 20.00 91.65 53.25 -64.49 -39.94 1.60 0.00 98.40 0.15 0.14 1.26 97.03 1.41 0.00 0.00 0.00 63 S H H 26.81 9.65 16.31 27.73 92.00 49.64 -65.82 -40.01 0.67 0.00 99.33 0.13 0.06 0.43 97.97 1.40 0.00 0.00 0.00 64 L H H 17.35 19.01 13.61 32.64 91.98 52.00 -63.27 -42.82 0.54 0.00 99.46 0.09 0.04 0.33 99.03 0.51 0.00 0.00 0.00 65 V H H 72.25 4.05 21.67 25.71 91.74 49.90 -63.99 -41.95 1.24 0.01 98.75 0.17 0.10 0.84 98.51 0.39 0.00 0.00 0.00 66 G H H 31.98 3.80 20.91 24.80 91.51 50.57 -64.09 -41.16 3.02 0.01 96.98 0.28 0.19 2.33 96.37 0.82 0.00 0.00 0.00 67 H H H 22.94 18.03 14.08 32.27 92.13 50.14 -66.73 -37.54 5.54 0.03 94.43 0.64 0.44 4.16 92.64 2.08 0.01 0.01 0.01 68 R H H 113.11 11.19 17.52 28.72 91.99 56.18 -66.64 -33.08 11.92 0.07 88.01 1.54 1.16 8.88 86.42 1.92 0.02 0.03 0.04 69 K H H 154.86 1.37 18.64 18.83 94.30 53.97 -78.06 -16.86 39.97 0.22 59.82 3.82 4.90 30.92 58.42 1.67 0.06 0.07 0.15 70 G C T 27.83 10.57 11.60 22.99 111.51 79.25 -81.37 163.15 77.86 0.64 21.50 26.08 21.18 29.52 20.43 2.12 0.01 0.19 0.47 71 K H H 123.97 3.82 17.71 21.66 103.31 -117.50 -69.17 -42.24 39.12 0.27 60.61 17.50 15.13 6.64 58.63 1.87 0.01 0.08 0.15 72 P H H 67.65 5.38 17.64 23.91 92.91 43.80 -64.15 -37.03 15.84 0.08 84.09 4.15 2.34 9.23 81.40 2.79 0.02 0.03 0.04 73 H H H 27.90 17.37 13.91 31.37 92.21 53.20 -65.62 -39.58 9.70 0.07 90.23 3.03 1.21 5.42 87.37 2.89 0.01 0.04 0.04 74 K H H 88.55 8.93 17.95 27.61 91.56 53.05 -63.34 -41.16 2.39 0.02 97.58 1.08 0.34 0.97 96.38 1.21 0.00 0.01 0.01 75 R H H 130.02 2.13 21.58 22.34 91.80 50.00 -64.45 -41.34 1.27 0.01 98.72 0.44 0.14 0.63 98.11 0.68 0.00 0.01 0.00 76 R H H 76.33 10.27 18.60 29.61 92.17 49.72 -65.32 -41.03 1.07 0.01 98.92 0.29 0.09 0.59 98.23 0.78 0.00 0.00 0.00 77 L H H 20.77 18.13 14.83 33.11 91.89 50.98 -63.84 -41.59 0.96 0.00 99.03 0.18 0.07 0.60 98.01 1.13 0.00 0.00 0.00 78 K H H 116.74 3.36 19.90 23.51 91.43 51.48 -63.98 -39.60 2.88 0.01 97.11 0.28 0.16 2.32 95.10 2.13 0.00 0.00 0.00 79 Q H H 99.62 3.55 18.59 22.44 91.95 51.96 -66.35 -35.29 9.81 0.02 90.17 0.60 0.53 8.40 87.51 2.94 0.01 0.01 0.01 80 L H H 35.16 16.54 12.32 28.79 93.25 55.19 -70.65 -27.81 28.03 0.19 71.77 5.86 4.00 18.21 67.97 3.72 0.04 0.07 0.13 81 K C H 120.81 7.46 15.24 23.59 95.90 67.90 -72.94 -14.31 56.89 0.79 42.33 22.61 6.83 27.50 38.17 4.07 0.02 0.31 0.49 82 E C C 132.75 3.07 13.96 18.02 102.89 88.52 -80.50 14.90 76.01 0.86 23.13 26.90 24.55 23.90 20.72 3.05 0.01 0.31 0.55 83 G C C 43.14 3.56 15.64 20.16 129.29 -75.00 127.12 176.56 93.66 1.14 5.20 51.58 30.08 12.11 3.43 1.66 0.00 0.55 0.59 84 A C C 66.63 8.03 13.65 22.87 114.69 -78.16 -71.94 144.96 95.06 3.52 1.42 88.98 4.55 1.72 0.79 0.50 0.00 2.36 1.09 85 Y C C 59.77 14.82 11.22 26.29 122.61 -142.13 -104.94 145.00 78.67 20.62 0.71 74.32 4.21 0.43 0.56 0.21 0.00 6.93 13.32 86 T C C 64.63 3.77 20.58 24.00 121.14 -123.51 -80.07 162.68 91.09 8.13 0.78 90.21 1.62 0.24 0.68 0.14 0.00 4.39 2.73 87 H H H 87.09 13.50 13.42 26.95 91.89 -106.81 -58.85 -38.82 2.03 0.01 97.96 0.52 0.34 1.06 97.62 0.44 0.00 0.00 0.00 88 E H H 120.26 3.03 18.47 22.14 91.61 52.60 -64.04 -41.04 1.04 0.01 98.96 0.17 0.09 0.67 98.57 0.49 0.00 0.00 0.00 89 E H H 88.86 4.64 19.03 24.23 91.97 48.48 -66.08 -40.57 0.56 0.01 99.43 0.10 0.05 0.37 98.86 0.61 0.00 0.01 0.00 90 A H H 10.22 15.49 13.76 30.64 91.41 50.88 -63.78 -42.25 0.54 0.01 99.46 0.09 0.04 0.35 99.08 0.43 0.00 0.00 0.00 91 M H H 54.22 9.57 15.93 26.98 91.85 50.10 -64.17 -41.33 1.21 0.01 98.78 0.15 0.08 0.87 98.37 0.52 0.00 0.00 0.00 92 A H H 63.02 2.85 17.72 20.66 91.87 51.31 -64.42 -40.23 1.95 0.00 98.05 0.15 0.10 1.55 97.26 0.93 0.00 0.00 0.00 93 A H H 52.28 8.14 15.14 24.48 91.58 53.07 -67.37 -31.02 8.65 0.01 91.34 0.29 0.32 8.04 90.19 1.15 0.01 0.00 0.00 94 I C T 62.96 11.50 13.70 26.06 94.81 45.62 -91.22 -1.92 54.37 0.08 45.54 0.91 1.89 50.49 45.33 1.28 0.02 0.02 0.06 95 G C T 57.38 1.80 17.51 18.97 96.04 -113.86 76.20 17.07 99.25 0.08 0.66 8.08 3.97 87.37 0.32 0.20 0.00 0.04 0.03 96 Y C C 99.98 9.28 10.24 20.76 119.20 127.90 -104.62 139.43 96.17 2.69 1.14 85.30 8.41 2.39 0.41 0.68 0.00 1.33 1.48 97 R C C 162.53 2.79 14.82 18.80 115.87 -142.00 -97.64 133.81 93.48 5.21 1.31 83.02 7.40 2.90 0.44 0.83 0.00 3.09 2.32 98 I C C 81.87 10.99 10.49 22.02 117.13 -150.79 -105.38 134.36 89.74 7.55 2.71 72.47 11.49 5.29 0.87 1.87 0.00 4.49 3.51 99 D C C 90.42 5.45 12.05 19.05 110.44 -147.20 -94.98 112.64 92.28 4.47 3.25 60.17 19.26 12.79 0.76 2.60 0.00 2.51 1.91 100 N C C 110.47 4.07 12.33 17.77 100.86 -163.50 -95.56 15.43 94.39 1.87 3.74 38.38 29.15 26.94 0.66 3.14 0.00 0.97 0.77 101 G C C 46.99 4.64 11.71 17.89 107.00 -110.71 84.60 5.08 94.10 2.74 3.15 39.42 33.79 20.96 0.50 2.84 0.00 1.52 0.98 102 K C C 141.52 2.71 12.06 16.23 115.56 46.61 -94.08 137.37 89.35 7.36 3.29 69.30 13.99 5.62 0.92 2.58 0.00 4.51 3.07 103 K C C 126.25 6.02 9.48 17.23 115.03 -134.38 -87.64 136.58 87.22 9.85 2.93 74.61 8.34 3.48 1.20 1.79 0.00 5.62 4.96 104 T C C 84.78 5.20 9.51 16.48 114.71 -145.67 -97.01 136.52 91.65 4.97 3.38 76.57 10.03 4.82 1.22 2.18 0.00 3.13 2.04 105 T C C 107.07 2.34 9.92 13.69 105.56 -160.63 -93.68 17.66 93.59 2.46 3.95 60.99 21.40 11.29 1.19 2.69 0.00 1.40 1.04 106 E C C 140.03 2.23 9.76 13.58 113.51 92.99 -92.37 133.31 94.93 1.66 3.41 59.13 26.86 8.97 1.00 2.32 0.00 0.79 0.94 107 Q C C 124.88 3.13 9.27 14.38 116.43 -129.27 -91.50 134.99 96.68 1.29 2.03 70.64 23.29 2.85 0.91 1.00 0.00 0.62 0.70 108 P C C 88.97 5.07 8.45 15.45 113.71 -109.35 -68.57 147.07 90.26 1.52 8.22 68.98 10.56 10.78 2.99 5.10 0.00 0.88 0.71 109 K C C 149.22 2.39 9.67 13.73 113.67 -130.83 -90.02 132.63 84.73 3.34 11.93 60.10 13.05 11.47 4.82 7.13 0.00 1.80 1.64 110 T C C 96.40 3.61 8.00 13.52 112.01 -141.39 -94.14 127.58 75.95 4.60 19.45 52.12 13.20 10.57 8.63 10.88 0.01 2.66 1.93 111 Q C C 137.09 2.15 9.36 12.98 107.84 -160.81 -91.98 83.54 70.72 3.87 25.41 41.81 15.04 14.35 12.05 13.06 0.01 2.27 1.40 112 D C C 103.75 3.38 8.27 13.43 111.01 122.58 -87.88 117.06 67.80 5.58 26.62 41.14 14.22 12.97 13.18 13.21 0.02 3.57 1.69 113 V C C 105.60 3.45 7.68 13.06 114.50 -159.21 -97.72 127.44 66.55 11.28 22.16 48.34 10.06 7.77 13.47 9.14 0.03 8.52 2.66 114 E C C 142.03 2.24 8.41 12.49 115.12 -152.27 -95.32 130.20 68.17 14.69 17.14 50.89 8.78 7.52 11.71 6.11 0.03 11.02 3.93 115 M C C 136.71 2.76 6.91 11.69 114.10 -153.28 -94.63 131.23 81.60 8.59 9.81 72.58 2.46 6.86 6.33 2.88 0.00 6.01 2.89 116 S C C 85.14 2.44 10.17 14.21 112.76 -133.28 -86.69 138.59 99.81 0.14 0.05 99.67 0.11 0.10 0.02 0.00 0.00 0.08 0.01