# 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 70.75 6.32 11.59 19.38 112.74 164.76 -94.33 132.54 99.88 0.08 0.04 99.76 0.09 0.08 0.02 0.00 0.00 0.04 0.01 1 G C C 49.69 3.86 11.13 16.51 117.52 45.45 -101.22 167.92 92.29 2.82 4.89 86.71 1.39 5.19 2.05 1.79 0.00 1.90 0.98 2 L C C 121.74 3.70 9.16 14.45 108.19 -99.51 -87.56 98.54 78.85 8.72 12.43 51.74 15.69 11.83 4.30 7.86 0.01 6.07 2.51 3 L C C 113.14 4.28 9.49 15.49 111.83 -150.62 -93.32 119.91 73.11 14.49 12.40 46.55 15.88 11.20 4.34 7.81 0.02 10.86 3.34 4 K C C 128.83 5.18 11.11 18.05 117.95 -156.34 -102.62 131.66 72.63 17.29 10.08 52.14 12.74 7.45 3.84 6.32 0.02 13.52 3.98 5 K C C 133.69 4.65 12.94 19.48 118.12 -151.14 -101.94 135.98 78.67 17.99 3.34 64.10 10.90 2.77 1.83 1.68 0.01 13.77 4.94 6 T C C 67.64 10.18 10.06 21.00 119.25 -152.48 -100.60 143.10 78.28 19.74 1.98 67.23 7.67 2.10 1.12 0.97 0.00 13.70 7.21 7 T C C 88.23 5.21 13.68 20.24 109.48 -162.47 -102.61 49.78 77.56 18.76 3.67 49.49 20.99 7.22 1.69 2.04 0.03 10.46 8.09 8 G C S 45.74 5.63 14.81 21.37 109.16 -51.14 79.76 -121.40 84.72 4.16 11.12 13.81 38.48 33.72 2.71 7.11 0.04 2.48 1.65 9 L C T 89.92 10.53 13.05 23.64 102.55 -9.31 -89.95 7.35 79.08 6.35 14.57 14.95 25.52 39.52 3.50 9.98 0.07 3.77 2.67 10 V C T 84.01 8.68 14.26 23.70 110.52 115.70 -83.98 119.45 78.56 8.76 12.68 11.61 16.45 50.31 3.42 9.04 0.11 5.98 3.08 11 G C T 46.48 5.82 17.10 23.80 98.91 -0.38 83.76 -0.81 80.03 12.62 7.35 22.05 19.08 40.16 1.75 5.14 0.03 9.53 2.25 12 L C C 54.03 14.04 13.30 27.78 117.70 123.30 -87.77 136.54 64.86 31.25 3.89 49.89 9.48 4.19 1.78 2.38 0.02 24.61 7.66 13 A C C 53.42 9.08 19.07 28.58 111.91 -119.04 -76.93 134.88 56.42 39.99 3.59 43.15 8.29 3.95 2.02 1.99 0.03 33.31 7.25 14 V C C 60.11 14.47 16.20 30.36 115.75 -142.66 -100.61 131.13 63.88 33.58 2.54 46.22 12.52 4.26 1.30 1.58 0.03 25.64 8.46 15 C C C 27.76 15.47 13.34 29.20 123.92 -148.73 -110.80 144.41 79.05 20.05 0.89 71.51 5.98 1.13 0.52 0.44 0.00 14.64 5.78 16 E C S 147.35 2.16 18.55 21.18 95.07 -135.05 -71.38 -26.16 99.38 0.42 0.20 6.01 91.68 1.88 0.07 0.05 0.00 0.20 0.11 17 T C C 63.08 6.58 18.66 26.15 110.55 26.45 -127.35 81.92 99.08 0.47 0.45 52.13 45.87 1.15 0.30 0.11 0.00 0.15 0.30 18 P H H 13.64 21.26 14.49 36.04 93.16 167.85 -62.20 -36.76 5.61 0.03 94.36 1.99 0.89 2.77 92.51 1.81 0.00 0.01 0.01 19 H H H 52.29 16.58 18.51 34.45 91.64 55.37 -62.97 -40.93 2.28 0.01 97.71 0.29 0.20 1.65 96.07 1.78 0.00 0.00 0.00 20 E H H 101.83 3.21 23.60 26.13 91.84 49.80 -65.62 -40.44 1.13 0.01 98.86 0.21 0.10 0.72 97.09 1.87 0.00 0.00 0.00 21 R H H 80.84 10.08 20.93 31.40 91.79 49.43 -65.10 -41.37 0.68 0.00 99.32 0.16 0.06 0.34 99.03 0.40 0.00 0.00 0.00 22 L H H 5.61 24.33 16.82 41.17 91.74 49.92 -64.79 -41.90 0.35 0.00 99.65 0.06 0.02 0.18 99.64 0.10 0.00 0.00 0.00 23 K H H 85.71 11.54 21.28 32.56 91.26 51.98 -62.50 -41.48 0.15 0.00 99.85 0.01 0.00 0.08 99.83 0.07 0.00 0.00 0.00 24 I H H 86.30 3.26 24.10 26.55 91.70 49.52 -64.37 -42.48 0.12 0.00 99.88 0.01 0.00 0.08 99.83 0.07 0.00 0.00 0.00 25 L H H 27.08 14.93 20.70 35.90 91.69 49.06 -64.43 -42.37 0.21 0.00 99.79 0.01 0.00 0.16 99.75 0.07 0.00 0.00 0.00 26 Y H H 20.40 21.17 18.32 39.08 92.04 50.29 -64.30 -41.34 0.34 0.00 99.66 0.02 0.01 0.24 99.69 0.04 0.00 0.00 0.00 27 T H H 61.58 6.03 22.42 28.85 91.49 51.45 -64.04 -40.95 0.19 0.00 99.81 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 28 K H H 98.94 4.59 23.24 27.76 91.76 50.23 -64.97 -41.21 0.19 0.00 99.81 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 29 I H H 14.17 19.73 18.52 38.17 91.92 49.42 -64.53 -42.87 0.26 0.00 99.74 0.02 0.01 0.17 99.72 0.07 0.00 0.00 0.00 30 L H H 37.54 15.13 19.06 34.21 91.52 50.76 -63.40 -40.62 0.24 0.00 99.76 0.02 0.01 0.15 99.66 0.15 0.00 0.00 0.00 31 D H H 91.68 2.04 23.45 24.06 91.85 50.73 -64.56 -40.59 0.72 0.00 99.28 0.04 0.03 0.58 98.72 0.64 0.00 0.00 0.00 32 V H H 37.14 10.22 18.92 30.40 92.04 49.26 -65.63 -40.93 1.41 0.00 98.59 0.07 0.05 1.20 96.81 1.87 0.00 0.00 0.00 33 L H H 15.73 21.35 13.36 34.50 91.49 53.41 -65.26 -34.70 2.34 0.00 97.65 0.11 0.12 2.01 91.43 6.32 0.00 0.00 0.00 34 G H H 46.47 5.43 17.84 24.54 90.77 60.37 -67.59 -20.78 38.19 0.02 61.79 0.41 0.72 39.12 53.58 6.13 0.01 0.01 0.02 35 H C T 146.26 1.59 18.80 19.62 94.53 53.17 -89.96 -7.82 67.06 0.03 32.90 0.91 2.00 66.04 25.14 5.85 0.00 0.01 0.04 36 I C S 31.07 18.42 7.32 24.57 117.73 98.37 -79.40 140.39 99.78 0.11 0.11 10.39 89.23 0.21 0.06 0.01 0.00 0.02 0.08 37 P C C 69.81 3.39 16.60 20.66 113.18 -103.23 -62.89 143.72 99.75 0.14 0.11 99.13 0.50 0.18 0.03 0.03 0.00 0.04 0.10 38 K C T 144.54 5.45 11.00 18.62 91.84 -122.15 -61.48 -28.35 99.46 0.07 0.47 2.14 9.51 87.84 0.06 0.36 0.00 0.04 0.05 39 N C T 131.93 0.93 15.51 15.35 94.65 57.69 -89.25 2.51 99.40 0.06 0.53 2.36 8.44 88.61 0.06 0.46 0.00 0.04 0.04 40 A C S 26.50 10.92 9.47 22.18 118.91 113.35 -77.78 150.24 94.81 1.06 4.13 14.07 80.13 0.74 3.57 0.21 0.00 0.11 1.17 41 A H H 66.12 3.41 18.02 21.93 91.56 -119.66 -60.50 -36.36 6.22 0.01 93.77 0.26 0.67 5.59 92.50 0.96 0.01 0.00 0.00 42 Y H H 62.85 13.50 15.60 29.54 92.13 53.01 -65.21 -39.13 3.17 0.00 96.83 0.21 0.21 2.67 95.80 1.10 0.00 0.00 0.00 43 R H H 64.30 14.50 15.42 29.96 91.65 53.14 -63.30 -41.38 0.41 0.00 99.59 0.07 0.03 0.25 99.18 0.47 0.00 0.00 0.00 44 K H H 124.99 2.35 22.06 23.71 91.80 50.10 -64.82 -41.21 0.25 0.00 99.75 0.04 0.02 0.15 99.67 0.13 0.00 0.00 0.00 45 Y H H 98.38 6.13 21.58 28.12 92.08 48.83 -65.64 -41.59 0.28 0.00 99.72 0.04 0.02 0.18 99.69 0.08 0.00 0.00 0.00 46 T H H 10.56 19.87 16.55 36.53 92.05 49.31 -65.08 -41.91 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 47 E H H 68.99 11.03 20.20 31.51 91.64 51.90 -62.94 -41.62 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 48 Q H H 101.95 2.24 24.57 25.21 91.83 49.89 -64.57 -41.56 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 49 I H H 38.76 11.87 20.98 33.56 91.95 48.81 -64.73 -42.60 0.16 0.00 99.84 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 50 T H H 10.16 20.86 17.10 37.95 91.74 49.78 -64.03 -42.57 0.16 0.00 99.84 0.02 0.01 0.10 99.86 0.01 0.00 0.00 0.00 51 N H H 82.95 5.09 23.18 28.52 91.48 50.87 -64.00 -40.69 0.09 0.00 99.91 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 52 E H H 98.98 3.46 23.98 26.80 91.71 49.89 -64.68 -41.56 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 53 K H H 32.39 17.85 19.29 36.69 92.06 49.73 -64.76 -41.80 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 54 L H H 34.59 15.93 19.03 34.90 91.53 51.68 -62.70 -41.45 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 55 S H H 61.61 2.21 24.27 24.82 91.32 50.94 -63.81 -40.96 0.15 0.00 99.85 0.00 0.00 0.12 99.84 0.03 0.00 0.00 0.00 56 I H H 45.63 8.93 19.78 30.05 91.77 50.03 -64.64 -42.30 0.16 0.00 99.84 0.01 0.01 0.12 99.77 0.10 0.00 0.00 0.00 57 V H H 10.17 21.84 13.28 35.02 91.83 50.74 -65.03 -39.97 0.41 0.00 99.59 0.02 0.02 0.33 99.23 0.40 0.00 0.00 0.00 58 K H H 129.31 4.95 18.89 25.08 91.48 52.19 -67.52 -30.62 5.27 0.00 94.73 0.09 0.12 5.27 94.01 0.50 0.00 0.00 0.00 59 A H H 79.45 1.75 18.57 19.34 94.92 46.89 -81.79 -22.46 20.68 0.02 79.30 0.57 1.22 18.64 78.93 0.61 0.01 0.01 0.02 60 E C C 60.81 11.68 11.61 24.21 115.83 39.91 -127.33 101.54 99.23 0.18 0.60 73.58 24.77 0.79 0.55 0.08 0.00 0.04 0.19 61 P C S 95.92 5.27 15.19 22.47 94.73 -171.36 -73.77 -17.37 99.72 0.16 0.12 43.01 55.60 1.15 0.05 0.05 0.00 0.06 0.09 62 D C C 75.84 4.55 18.92 24.31 111.05 88.05 -92.34 115.64 97.90 1.49 0.60 62.35 34.57 0.65 0.45 0.12 0.00 0.25 1.61 63 V H H 36.35 18.98 11.93 30.55 93.12 -155.16 -62.95 -36.25 5.84 0.04 94.12 1.42 1.23 3.33 91.59 2.39 0.01 0.02 0.02 64 K H H 129.54 3.43 19.13 23.40 91.50 56.43 -62.93 -41.05 3.63 0.03 96.35 0.62 0.43 2.54 94.22 2.16 0.01 0.01 0.01 65 K H H 101.84 3.00 20.78 23.29 91.95 48.47 -65.41 -40.17 2.01 0.05 97.94 0.64 0.28 1.10 95.38 2.55 0.00 0.04 0.01 66 L H H 8.81 18.87 13.63 33.34 91.82 51.01 -63.98 -43.14 1.20 0.04 98.76 0.42 0.19 0.61 97.52 1.22 0.00 0.02 0.01 67 E H H 40.17 14.40 15.19 30.14 91.83 51.56 -63.36 -41.41 1.64 0.05 98.31 0.46 0.22 0.97 96.86 1.43 0.01 0.03 0.01 68 E H H 139.14 1.24 20.44 20.04 92.03 50.59 -65.05 -39.07 3.71 0.03 96.26 0.41 0.29 3.03 94.37 1.86 0.01 0.02 0.01 69 Q H H 97.02 6.23 17.40 24.52 92.55 49.82 -70.84 -32.39 8.06 0.04 91.91 0.31 0.60 7.48 90.31 1.22 0.04 0.01 0.02 70 L C H 26.49 18.07 10.82 28.46 98.49 44.74 -95.97 2.83 49.96 0.48 49.57 4.30 12.72 31.93 48.63 1.81 0.10 0.12 0.40 71 Q C T 144.19 1.69 18.25 19.90 95.09 -120.20 57.40 41.65 88.55 0.51 10.94 14.54 7.12 67.10 2.74 7.86 0.00 0.22 0.42 72 G C T 45.94 6.58 14.86 22.63 94.74 -44.14 74.18 6.73 86.53 0.24 13.23 2.89 9.85 73.32 1.52 12.08 0.00 0.12 0.22 73 G C T 32.89 9.68 16.42 26.52 99.32 -78.18 83.45 3.24 86.06 0.92 13.02 14.13 26.21 45.43 1.73 11.47 0.00 0.41 0.62 74 Q C C 76.44 7.59 20.85 28.91 112.06 130.56 -84.01 125.45 87.71 4.58 7.71 76.96 8.40 1.58 6.31 1.46 0.00 1.16 4.12 75 I H H 29.31 20.80 14.70 34.91 94.24 -144.33 -62.36 -40.12 1.85 0.01 98.14 0.45 0.28 0.95 97.80 0.52 0.00 0.00 0.00 76 E H H 100.29 7.02 21.71 29.15 91.81 54.16 -63.27 -40.73 0.53 0.00 99.47 0.07 0.03 0.34 99.04 0.52 0.00 0.00 0.00 77 E H H 84.78 4.99 23.09 28.26 91.77 48.90 -65.63 -40.89 0.19 0.00 99.81 0.02 0.01 0.12 99.36 0.49 0.00 0.00 0.00 78 V H H 8.80 20.22 17.58 38.09 91.82 49.97 -64.25 -43.27 0.09 0.00 99.91 0.01 0.00 0.05 99.87 0.06 0.00 0.00 0.00 79 I H H 32.24 16.89 20.30 36.82 91.83 50.07 -63.62 -42.74 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 80 L H H 81.63 4.02 24.32 28.11 91.54 49.67 -63.67 -42.38 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 81 Q H H 64.96 8.51 22.55 31.50 91.81 49.31 -64.81 -41.41 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 82 A H H 7.59 20.00 17.53 37.98 91.86 50.90 -64.16 -41.76 0.23 0.00 99.77 0.01 0.01 0.15 99.79 0.03 0.00 0.00 0.00 83 E H H 87.31 7.77 22.83 30.91 91.64 51.15 -63.20 -41.48 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 84 N H H 83.41 3.45 23.74 26.68 91.84 49.56 -64.82 -41.00 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 85 E H H 43.59 14.24 19.20 33.70 92.17 50.54 -64.95 -41.38 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 86 L H H 45.77 13.25 19.04 32.53 92.12 50.88 -64.11 -40.85 0.23 0.00 99.77 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 87 S H H 55.67 3.05 22.16 24.61 91.66 50.70 -64.05 -41.75 0.55 0.00 99.44 0.04 0.02 0.41 99.43 0.10 0.00 0.00 0.00 88 L H H 60.91 7.10 19.57 27.58 91.87 49.88 -65.17 -40.87 0.83 0.00 99.17 0.05 0.03 0.65 99.14 0.13 0.00 0.00 0.00 89 A H H 20.15 14.17 15.59 30.80 91.89 52.17 -63.56 -41.37 0.48 0.00 99.52 0.05 0.03 0.29 99.47 0.16 0.00 0.00 0.00 90 R H H 121.40 4.25 19.66 24.40 91.73 51.50 -63.96 -40.20 0.81 0.00 99.19 0.08 0.04 0.57 98.60 0.71 0.00 0.00 0.00 91 K H H 112.71 2.91 18.58 21.47 91.90 50.55 -65.15 -39.66 1.50 0.00 98.50 0.10 0.07 1.17 96.91 1.74 0.00 0.00 0.00 92 M H H 56.24 12.37 13.37 26.42 92.63 51.45 -67.69 -33.16 2.99 0.00 97.01 0.20 0.16 2.44 92.98 4.21 0.00 0.00 0.00 93 I H H 86.08 8.95 13.87 23.67 92.25 55.69 -69.38 -27.78 24.80 0.03 75.17 0.54 0.78 23.72 70.39 4.50 0.02 0.01 0.02 94 Q C T 142.20 1.01 16.74 16.29 95.59 49.32 -89.50 -7.19 56.42 0.05 43.53 1.27 1.95 52.71 40.85 3.16 0.01 0.02 0.04 95 W C C 102.51 9.69 8.55 19.49 117.05 100.96 -78.51 140.10 94.75 0.67 4.58 57.51 33.39 3.57 3.74 0.80 0.00 0.15 0.83 96 K C C 133.75 3.14 14.84 19.08 113.61 -147.90 -103.33 116.51 98.53 0.79 0.69 95.55 2.26 0.74 0.22 0.33 0.00 0.27 0.62 97 P C T 66.63 11.68 10.36 22.50 95.24 -134.71 -65.71 -20.13 97.41 0.63 1.95 17.60 12.80 66.73 0.20 2.03 0.00 0.33 0.31 98 W C T 155.52 6.11 12.73 19.78 99.11 49.22 -92.15 8.71 96.80 1.11 2.09 15.57 14.16 66.75 0.23 2.20 0.00 0.62 0.46 99 E C S 105.52 4.46 12.04 18.25 116.85 119.34 -86.44 139.26 97.50 1.77 0.72 46.97 49.57 1.18 0.19 0.45 0.00 0.70 0.94 100 P C C 95.63 4.05 11.44 17.28 113.64 -102.39 -66.49 145.05 95.88 2.38 1.74 86.73 5.79 3.28 0.42 1.32 0.00 1.27 1.19 101 L C C 101.10 7.01 8.57 16.96 108.75 -116.98 -78.59 123.26 92.08 5.40 2.52 76.33 10.90 4.18 0.68 2.02 0.00 2.49 3.39 102 V C C 108.19 3.53 9.42 14.58 110.19 81.85 -96.91 94.69 92.18 5.63 2.20 72.74 15.42 3.63 0.67 1.59 0.00 2.71 3.24 103 E C C 140.09 2.19 10.12 13.87 117.88 38.62 -96.86 142.11 95.14 3.54 1.33 67.73 24.91 2.67 0.37 0.89 0.00 1.65 1.77 104 E C C 153.90 1.46 11.62 14.12 114.16 -100.35 -78.93 134.86 98.97 0.94 0.10 87.19 11.62 0.24 0.03 0.05 0.00 0.40 0.46 105 P C C 67.57 10.06 7.07 17.72 116.72 -107.77 -65.68 150.19 99.84 0.13 0.03 98.51 1.29 0.08 0.01 0.01 0.00 0.05 0.06 106 P C C 83.19 3.12 10.65 15.44 115.26 -102.59 -64.31 151.10 99.43 0.23 0.34 97.85 1.07 0.59 0.07 0.17 0.00 0.07 0.17 107 A C T 96.96 0.99 10.40 11.84 108.13 -97.90 -65.61 142.14 97.73 0.27 2.00 9.55 20.16 67.77 0.19 2.01 0.00 0.13 0.18 108 S C T 87.24 2.12 9.72 13.05 98.98 15.06 32.94 34.67 97.19 0.54 2.27 19.29 12.86 64.82 0.32 2.16 0.00 0.27 0.28 109 Q C C 106.10 5.01 8.79 15.67 99.75 151.38 -76.86 -13.59 92.63 1.58 5.79 44.61 19.08 27.92 0.72 6.02 0.00 0.70 0.94 110 W C C 147.14 6.34 8.40 15.98 109.14 49.35 -97.42 87.58 93.49 2.22 4.29 48.27 16.45 28.18 0.61 4.25 0.00 1.03 1.20 111 K C C 145.84 1.92 10.75 14.14 117.83 143.25 -99.16 138.42 93.86 3.50 2.64 68.00 20.54 4.88 0.63 2.14 0.00 1.44 2.36 112 W C C 171.44 4.25 7.13 13.34 114.82 -110.47 -80.56 140.26 97.67 1.60 0.73 56.95 33.63 7.11 0.17 0.58 0.00 0.75 0.82 113 P C C 105.62 2.24 8.71 12.36 108.90 -3.62 -72.54 132.19 99.20 0.46 0.34 88.93 3.86 6.49 0.07 0.20 0.00 0.24 0.20 114 I C C 121.98 3.46 9.69 14.86 108.25 -137.73 -87.15 116.29 99.91 0.08 0.01 99.79 0.11 0.04 0.00 0.00 0.00 0.03 0.01