# 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 81.32 9.37 15.17 25.04 103.43 -145.88 -80.12 28.88 98.28 0.70 1.02 97.98 0.22 0.26 0.97 0.06 0.00 0.37 0.14 1 I H H 101.25 4.10 13.33 18.43 94.24 87.27 -65.77 -39.09 30.18 3.00 66.82 27.29 1.31 3.75 62.26 2.76 0.00 1.64 0.99 2 A H H 67.25 2.42 12.67 15.88 92.93 53.37 -65.69 -39.78 14.61 1.69 83.70 8.42 2.21 5.10 76.39 6.16 0.03 1.40 0.30 3 I H H 88.59 4.26 12.52 18.12 92.94 50.75 -66.76 -39.56 9.05 1.25 89.70 4.49 1.52 3.46 82.28 6.82 0.02 1.24 0.17 4 A H H 54.89 4.42 12.84 18.81 92.69 52.20 -65.29 -39.93 6.14 0.97 92.88 2.74 0.99 2.69 85.64 6.82 0.04 0.94 0.15 5 M H H 105.88 2.56 14.63 17.57 92.99 51.62 -66.19 -39.11 5.90 1.14 92.96 2.38 0.89 2.86 86.23 6.32 0.06 1.11 0.15 6 I H H 90.61 3.84 14.09 18.91 93.43 51.63 -67.97 -38.63 6.66 1.57 91.77 2.45 1.01 3.57 84.76 6.47 0.07 1.48 0.19 7 T H H 68.23 5.91 13.47 20.76 94.76 53.91 -70.76 -33.95 10.72 2.18 87.10 3.59 1.58 5.95 78.25 8.15 0.13 2.01 0.32 8 S H H 64.72 4.06 14.45 19.49 94.90 58.11 -69.10 -29.71 16.11 2.06 81.82 4.48 2.23 9.51 69.98 11.55 0.15 1.74 0.37 9 F H H 126.97 3.65 14.93 19.34 96.41 58.59 -75.81 -23.58 21.07 2.81 76.12 6.11 3.22 11.70 62.01 13.98 0.19 2.24 0.54 10 C H H 64.32 7.95 12.93 22.08 98.69 62.82 -81.69 -9.92 31.52 4.21 64.27 11.03 5.05 16.03 50.89 12.52 0.28 3.33 0.88 11 L H H 93.12 6.82 14.30 22.30 99.47 68.01 -76.99 -14.10 44.63 6.69 48.67 16.73 8.18 20.88 37.68 9.58 0.34 5.05 1.55 12 F C C 121.83 6.14 15.05 22.13 105.13 55.09 -90.60 14.93 58.20 8.93 32.87 28.57 11.91 18.74 25.90 6.44 0.19 6.03 2.24 13 T C C 62.53 10.14 13.57 24.55 113.02 93.73 -93.52 125.61 68.35 7.83 23.82 41.19 16.41 10.66 19.62 4.92 0.06 4.91 2.23 14 T C C 78.16 7.75 16.77 25.21 105.79 -142.82 -84.00 86.06 63.74 5.32 30.94 34.74 17.39 12.28 22.76 7.99 0.07 3.31 1.47 15 N C C 79.53 10.13 17.51 27.76 103.93 63.78 -79.91 42.69 57.90 5.31 36.80 37.08 9.75 11.06 23.54 13.55 0.03 3.62 1.37 16 V C C 51.81 14.95 16.37 30.70 105.42 96.47 -86.09 23.61 45.05 12.17 42.77 25.94 9.25 11.02 25.80 16.53 0.18 8.84 2.43 17 F C H 84.25 12.13 20.16 31.92 103.26 83.93 -83.77 -7.72 41.32 19.85 38.82 23.92 8.43 10.63 24.50 13.68 0.39 14.80 3.65 18 A C C 30.75 15.24 18.10 32.97 103.36 64.62 -82.12 18.67 54.03 14.84 31.13 35.83 8.49 9.72 21.58 9.87 0.10 11.38 3.01 19 A C C 43.93 13.50 18.16 31.20 100.13 93.85 -80.98 -17.78 70.32 6.94 22.74 34.32 23.17 13.15 17.09 5.76 0.07 4.64 1.80 20 D C C 66.31 8.37 20.81 29.49 109.40 78.12 -96.10 100.73 81.34 3.57 15.10 58.88 15.57 6.16 13.00 2.96 0.00 1.95 1.48 21 I H H 54.36 17.21 14.76 31.21 94.61 -158.66 -64.95 -35.41 22.24 0.51 77.25 7.28 4.32 11.59 68.99 7.26 0.07 0.28 0.22 22 E H H 124.39 2.75 21.97 24.68 92.47 53.46 -65.40 -39.78 20.14 0.43 79.43 4.77 2.93 12.91 71.60 7.27 0.09 0.25 0.18 23 H H H 85.45 6.97 21.21 28.44 94.01 44.37 -71.54 -35.02 17.46 0.36 82.18 5.99 2.65 9.42 74.91 6.64 0.04 0.21 0.15 24 G H H 3.43 22.90 14.71 37.43 92.80 58.51 -62.38 -43.13 10.82 0.18 88.99 5.11 1.69 4.44 86.78 1.80 0.01 0.09 0.08 25 E H H 72.64 12.57 20.76 33.03 91.70 52.26 -62.74 -41.49 3.79 0.09 96.12 1.77 0.56 1.58 95.30 0.71 0.01 0.05 0.02 26 Q H H 100.50 2.72 24.79 26.53 91.71 50.47 -64.62 -42.03 2.31 0.10 97.59 1.06 0.36 1.05 96.82 0.62 0.01 0.06 0.02 27 I H H 23.46 15.29 19.64 35.44 91.82 48.98 -64.16 -43.49 1.91 0.12 97.97 0.80 0.28 0.93 97.28 0.59 0.01 0.08 0.02 28 F H H 15.62 22.85 16.50 38.86 91.90 48.06 -64.77 -42.12 2.13 0.11 97.76 0.72 0.29 1.19 97.01 0.69 0.01 0.07 0.02 29 T H H 76.36 7.12 20.15 27.87 93.22 47.07 -69.68 -38.23 4.52 0.11 95.37 0.75 0.51 3.32 94.33 0.94 0.06 0.05 0.04 30 A H H 68.27 2.95 21.35 23.72 97.14 41.67 -80.47 -37.78 16.09 0.10 83.81 0.63 1.08 14.80 81.38 1.88 0.15 0.04 0.06 31 N H H 63.62 10.84 18.85 29.91 105.70 22.35 -110.05 -21.52 47.01 0.22 52.76 1.32 2.77 42.02 50.92 2.63 0.10 0.09 0.15 32 C C T 9.97 22.22 14.72 36.25 99.23 44.86 -88.24 -27.06 55.21 0.93 43.86 10.00 5.89 38.52 33.53 10.92 0.11 0.46 0.57 33 S H H 43.21 12.45 17.37 30.05 92.26 69.75 -62.70 -33.76 21.13 0.51 78.37 4.20 2.67 12.62 48.17 31.76 0.10 0.29 0.21 34 A H H 72.73 3.50 21.40 25.11 91.82 58.80 -67.49 -30.34 16.71 0.28 83.01 1.36 1.56 12.14 46.47 38.09 0.11 0.16 0.11 35 C H H 48.03 13.04 18.07 31.06 99.25 39.98 -91.11 -20.73 20.87 0.38 78.76 1.59 2.16 15.26 48.49 31.90 0.21 0.20 0.18 36 H H H 45.03 17.25 14.66 31.35 105.86 47.84 -107.12 24.01 42.20 3.17 54.63 9.99 11.63 22.08 32.76 19.40 0.79 1.36 1.98 37 A C T 60.22 8.52 16.73 25.86 104.91 104.59 -64.87 92.17 76.18 4.73 19.09 20.82 12.43 42.73 7.62 11.32 0.06 2.33 2.69 38 G C T 49.87 5.01 16.40 22.37 99.75 -14.04 72.78 7.55 78.98 2.77 18.25 13.22 15.55 48.97 3.05 16.18 0.02 1.51 1.49 39 G C T 40.30 8.99 14.77 24.23 106.63 -44.95 81.29 -0.66 80.24 2.13 17.63 20.26 24.56 34.22 1.80 16.98 0.00 1.00 1.17 40 N C S 99.80 5.92 17.49 24.19 104.50 61.75 -90.84 32.28 86.35 2.77 10.87 24.91 32.55 28.16 1.29 10.34 0.00 1.38 1.36 41 N C C 67.97 12.83 14.64 27.32 104.40 89.88 -86.07 45.71 88.54 6.17 5.28 42.55 30.11 15.73 0.99 4.51 0.00 3.06 3.04 42 V C C 68.45 10.24 16.47 27.22 111.65 105.97 -95.01 113.46 85.75 11.96 2.29 48.14 31.61 6.24 0.77 1.54 0.01 5.62 6.08 43 I C C 76.86 11.25 16.09 27.49 104.61 55.51 -92.37 13.54 86.37 11.90 1.73 47.28 35.13 4.47 0.67 1.04 0.00 5.63 5.77 44 M C C 71.63 9.81 15.68 26.39 111.15 32.34 -110.02 104.53 93.81 5.53 0.65 70.99 21.83 1.14 0.27 0.37 0.00 2.76 2.63 45 P H G 69.47 10.98 14.10 25.72 95.76 -147.16 -62.55 -30.10 47.97 1.19 50.84 10.82 6.73 29.02 3.98 48.32 0.00 0.68 0.45 46 E H G 137.18 3.16 18.96 22.59 94.58 55.19 -76.53 -14.87 48.05 0.94 51.01 6.01 6.87 33.37 4.31 48.48 0.01 0.53 0.42 47 K H G 83.44 11.93 17.26 29.18 102.13 53.72 -98.85 4.58 46.38 2.26 51.36 19.13 10.64 16.67 4.30 47.18 0.01 1.24 0.84 48 T C C 29.91 17.67 17.77 35.00 118.77 101.74 -96.70 143.29 85.79 6.87 7.34 57.87 21.48 5.68 4.00 3.18 0.01 2.52 5.26 49 L C C 20.49 22.27 16.85 38.43 107.29 -115.84 -83.35 103.07 87.56 8.80 3.64 70.68 13.26 2.49 2.43 1.31 0.00 3.41 6.41 50 K C C 93.64 8.05 22.95 31.04 116.63 -142.12 -83.28 139.43 93.72 3.05 3.24 88.12 4.54 0.86 3.04 0.42 0.00 0.97 2.06 51 K H H 103.29 11.90 15.36 27.44 93.08 -117.00 -59.80 -39.60 4.35 0.03 95.62 1.12 0.79 2.33 94.96 0.77 0.01 0.01 0.01 52 D H H 102.27 1.59 21.07 21.23 92.12 53.27 -64.90 -38.28 2.48 0.02 97.50 0.50 0.27 1.59 96.66 0.96 0.01 0.01 0.00 53 A H H 20.64 11.34 16.32 29.29 92.31 51.64 -65.58 -40.67 1.23 0.02 98.75 0.34 0.14 0.68 97.63 1.19 0.00 0.01 0.00 54 L H H 10.95 21.56 11.97 33.24 92.21 51.11 -64.21 -42.18 1.08 0.02 98.90 0.31 0.14 0.59 98.00 0.95 0.00 0.01 0.00 55 E H H 122.52 3.63 18.02 22.70 92.05 49.89 -64.59 -39.87 2.04 0.03 97.93 0.37 0.18 1.39 96.76 1.26 0.01 0.02 0.01 56 A H H 81.82 1.78 18.22 19.60 91.62 52.38 -66.28 -32.02 7.76 0.02 92.22 0.33 0.41 7.09 91.05 1.07 0.03 0.01 0.01 57 N C T 53.37 12.83 13.80 27.27 94.99 44.72 -94.45 0.89 67.05 0.06 32.90 0.75 1.99 63.34 32.31 1.52 0.01 0.02 0.06 58 G C T 46.47 3.78 21.79 25.79 95.48 -118.35 70.94 24.24 98.27 0.04 1.69 5.53 2.58 90.51 0.85 0.49 0.00 0.02 0.03 59 M C C 21.24 21.47 11.74 32.55 103.71 146.40 -89.49 61.22 96.00 0.33 3.68 56.34 7.61 32.28 0.84 2.55 0.00 0.16 0.23 60 N C T 87.22 8.66 21.17 30.17 99.74 125.61 -101.43 -3.96 97.56 0.29 2.15 34.59 27.26 35.44 0.35 2.05 0.00 0.13 0.18 61 S C S 44.90 6.03 24.27 30.73 134.82 45.77 -135.19 159.51 97.27 1.50 1.23 20.61 75.99 0.40 1.09 0.11 0.00 0.19 1.61 62 V H H 34.06 20.42 15.23 35.12 91.57 -110.92 -60.12 -37.61 1.70 0.00 98.29 0.10 0.22 1.25 98.24 0.18 0.00 0.00 0.00 63 S H H 68.82 4.17 23.83 28.62 91.35 55.05 -63.06 -40.51 0.85 0.00 99.15 0.06 0.05 0.63 99.11 0.15 0.00 0.00 0.00 64 A H H 23.75 9.28 21.58 32.34 91.56 50.15 -64.54 -41.49 0.13 0.00 99.87 0.02 0.01 0.08 99.82 0.09 0.00 0.00 0.00 65 I H H 3.01 25.54 17.97 43.85 91.11 49.82 -63.30 -43.87 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 66 T H H 26.41 16.71 22.31 38.47 91.26 49.78 -63.62 -42.53 0.16 0.00 99.84 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 67 N H H 77.72 3.97 26.35 30.12 91.59 50.20 -64.61 -41.60 0.47 0.00 99.53 0.03 0.02 0.34 99.57 0.04 0.00 0.00 0.00 68 Q H H 33.64 13.98 21.59 35.84 92.18 50.15 -65.06 -41.66 0.86 0.00 99.14 0.08 0.06 0.61 99.06 0.18 0.00 0.00 0.00 69 V H H 6.65 23.98 16.85 40.58 92.60 47.41 -67.16 -40.69 1.47 0.01 98.52 0.14 0.11 1.12 98.23 0.39 0.00 0.00 0.00 70 T H H 59.24 11.18 20.66 31.62 95.76 46.44 -76.72 -32.30 5.64 0.02 94.33 0.27 0.38 4.85 94.07 0.39 0.01 0.01 0.01 71 N H H 105.68 2.56 21.76 23.64 98.69 37.67 -99.82 -3.69 33.09 0.26 66.65 2.52 5.60 24.71 66.01 0.80 0.09 0.07 0.20 72 G C C 22.34 16.25 11.08 26.42 116.89 -129.81 67.32 154.21 94.23 1.44 4.33 52.26 14.08 28.41 2.29 1.56 0.00 0.63 0.78 73 K C C 130.81 4.27 17.19 22.60 117.92 -156.94 -114.31 127.19 83.72 9.91 6.36 38.18 25.80 19.75 1.78 4.13 0.02 3.54 6.78 74 N C S 113.67 3.46 18.26 22.32 108.75 -18.00 60.77 -133.57 94.35 1.09 4.56 12.40 41.12 40.97 0.65 3.73 0.00 0.54 0.59 75 A C S 55.41 11.77 17.12 28.71 96.58 -33.24 -79.91 -10.79 94.64 1.41 3.95 12.77 53.84 28.37 0.79 2.81 0.00 0.72 0.71 76 M C S 41.58 16.70 14.88 31.76 119.79 84.83 -104.56 130.99 88.92 9.59 1.49 22.67 63.66 2.39 0.68 0.66 0.00 3.79 6.15 77 P C C 42.23 11.00 18.52 30.70 114.56 -114.17 -66.34 149.71 88.59 6.99 4.43 76.33 6.26 5.11 1.33 3.25 0.00 3.34 4.39 78 A C T 49.30 12.24 17.34 29.67 104.76 -106.40 -67.24 128.16 88.95 1.97 9.08 24.90 25.97 37.73 1.59 7.68 0.00 0.90 1.22 79 F C T 75.36 14.59 15.33 29.27 98.94 44.34 -84.66 13.36 86.11 2.56 11.34 19.84 23.09 42.89 2.07 9.16 0.01 1.12 1.82 80 G C T 47.36 6.76 16.63 24.52 100.91 -123.65 58.80 25.59 87.20 1.38 11.42 21.28 21.28 43.78 1.49 10.66 0.00 0.61 0.91 81 G C T 49.14 6.07 16.85 23.61 98.34 -37.09 81.05 0.58 90.25 1.19 8.56 22.35 31.04 35.90 0.93 8.51 0.00 0.57 0.71 82 R C C 123.57 7.59 18.89 27.22 100.13 105.77 -91.02 -6.12 93.32 2.78 3.90 63.16 21.08 7.88 0.66 3.89 0.00 1.17 2.16 83 L C C 16.51 22.82 9.94 31.66 123.14 51.20 -100.46 141.46 94.95 4.80 0.24 83.06 10.47 0.28 0.13 0.09 0.00 0.98 4.99 84 A C C 56.21 2.93 21.73 23.67 121.27 -121.46 -78.55 162.41 99.59 0.33 0.08 99.22 0.41 0.04 0.05 0.01 0.00 0.08 0.19 85 D H H 95.10 8.19 14.30 23.93 91.75 -103.26 -58.08 -38.61 2.35 0.00 97.65 0.33 0.27 1.60 96.68 1.11 0.00 0.00 0.00 86 N H H 112.24 1.69 19.96 20.82 91.67 52.47 -65.10 -38.38 1.87 0.00 98.13 0.21 0.13 1.40 96.66 1.59 0.00 0.00 0.00 87 D H H 43.94 12.50 18.57 31.32 92.21 50.74 -66.39 -39.94 0.82 0.00 99.18 0.22 0.08 0.47 97.70 1.53 0.00 0.00 0.00 88 I H H 7.07 23.77 16.40 40.21 91.62 51.24 -63.16 -43.45 0.13 0.00 99.87 0.03 0.01 0.06 99.85 0.05 0.00 0.00 0.00 89 E H H 79.40 9.37 23.57 33.15 91.32 51.21 -62.96 -41.87 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 90 D H H 64.08 5.75 26.44 32.61 91.57 49.80 -64.29 -42.26 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 91 V H H 6.28 22.41 23.00 45.11 91.48 49.20 -64.00 -43.90 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 92 A H H 4.66 22.72 21.97 44.46 91.04 51.42 -62.47 -42.78 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 93 N H H 74.64 5.99 26.98 33.54 91.47 51.06 -63.80 -41.28 0.12 0.00 99.88 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 94 Y H H 57.96 10.84 24.76 36.17 91.69 50.34 -63.87 -43.24 0.11 0.00 99.89 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 95 V H H 4.74 24.04 20.62 44.49 91.50 48.84 -63.75 -43.73 0.17 0.00 99.83 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 96 L H H 35.16 16.08 20.72 36.48 91.66 49.40 -63.67 -41.12 0.72 0.00 99.28 0.06 0.03 0.50 99.21 0.19 0.00 0.00 0.00 97 A H H 59.02 3.47 23.06 26.07 91.90 50.63 -65.58 -39.54 5.31 0.01 94.68 0.32 0.26 4.43 94.52 0.46 0.00 0.00 0.00 98 Q H H 61.06 10.60 18.33 29.63 93.73 48.52 -71.41 -32.66 16.80 0.06 83.14 1.86 1.67 12.91 82.35 1.13 0.02 0.02 0.04 99 S H H 22.58 17.51 13.15 30.11 96.07 58.05 -73.53 -27.54 35.59 0.79 63.62 16.61 5.96 14.48 58.93 3.24 0.03 0.34 0.41 100 V C H 82.83 7.14 14.41 22.55 98.99 59.82 -78.43 -12.22 49.31 1.46 49.23 25.42 5.57 19.54 42.85 5.20 0.02 0.71 0.70 101 K C T 149.28 2.49 12.75 16.61 103.96 77.85 -74.52 77.85 66.92 0.97 32.11 18.27 8.56 40.08 26.96 5.13 0.02 0.44 0.53 102 G C T 57.05 2.39 13.19 16.57 100.59 6.26 82.99 1.57 86.86 0.33 12.81 39.99 2.77 44.87 9.97 2.07 0.00 0.16 0.19 103 W C C 115.01 11.46 10.92 22.65 111.99 126.50 -84.97 127.32 99.88 0.09 0.04 99.72 0.13 0.07 0.02 0.00 0.00 0.04 0.02