NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 K 4.1756 8.2993 120.1251 54.9617 34.5860 175.4629 45 V 2.9307 7.5430 117.0558 61.4961 30.2055 170.8157 46 E 3.9974 8.7882 120.5222 57.5795 30.7733 176.1936 47 Y 3.5926 6.8298 112.2851 59.8985 35.3110 171.1207 48 S 4.4167 8.4104 115.6089 59.5721 63.9726 175.6925 49 E 6.3000 8.2911 131.5057 57.1174 29.1457 178.6508 50 E 4.2912 7.8014 117.4320 59.7886 29.3820 178.6850 51 E 3.7436 7.9314 121.1547 58.2299 29.5670 178.8053 52 L 4.0533 7.8797 118.4491 57.7252 41.8242 178.9657 53 K 3.4405 8.8177 120.4868 59.8518 31.5854 178.7164 54 T 3.7906 7.9772 115.9340 66.9138 68.3057 176.2380 55 H 4.3141 8.4697 118.2528 59.1377 28.5848 177.7610 56 I 3.7444 8.3546 120.9366 65.2607 37.0073 177.4346 57 S 3.9417 8.2005 112.2152 61.6991 61.9408 176.0076 58 K 4.1742 7.7848 123.4262 61.0621 32.9767 178.6321 59 G 4.1716 7.8582 109.3467 45.9428 0.0000 174.5312 60 T 4.2798 8.1447 115.8890 63.0878 69.3261 176.6818 61 L 4.1543 8.0215 123.2107 57.5777 42.2136 177.1844 62 G 4.0801 7.9392 106.1375 45.6822 0.0000 174.8468 63 K 4.0186 7.8443 120.1950 58.3619 32.5209 177.8719 64 F 4.2838 7.2599 115.7872 57.9363 39.8242 176.8289 65 T 4.2893 8.2071 112.4729 61.3988 71.5506 174.9067 66 V 3.5613 8.2065 118.5208 66.1951 31.5015 176.7076 67 P 4.2683 0.0000 0.0000 65.9985 31.4965 178.0742 68 M 4.0664 7.5616 117.6344 58.0020 32.1147 178.6582 69 L 3.7246 7.5544 118.7020 57.6029 41.7329 179.2612 70 K 3.7720 8.3272 119.9357 59.4386 31.9159 178.1279 71 E 3.7900 7.7227 118.8316 59.3053 29.4477 178.6111 72 A 3.8828 7.4419 119.9599 55.4433 18.3078 179.1494 73 C 4.0425 7.7945 114.7473 63.1113 27.9617 176.6112 74 R 3.7424 8.1169 118.8058 59.1822 29.6849 178.6356 75 A 4.2547 7.8412 119.7641 54.9355 18.5759 178.7721 76 Y 4.2896 8.3892 114.9617 58.5894 38.1402 176.7141 77 G 3.8806 8.8605 107.5176 45.9808 0.0000 173.8339 78 L 4.4203 7.7314 119.9953 53.6892 43.6309 175.8392 79 K 4.0627 8.5887 118.4668 57.1475 32.8157 178.1608 80 S 3.9720 8.1644 114.3147 57.5521 61.7542 169.9140 81 G 4.1981 8.0289 107.9410 44.1078 0.0000 173.5085 82 L 4.3327 8.2709 122.9608 52.5313 39.5671 175.0536 83 K 4.5809 6.1611 120.9889 54.3736 40.3500 177.2264 84 K 4.4678 7.3171 126.7423 56.0443 33.7166 176.0675 85 Q 4.1086 7.8826 120.2013 59.5609 29.4155 178.1217 86 E 3.9343 8.3132 119.6410 59.3377 29.3966 178.7766 87 L 3.9367 8.3229 119.1623 57.6856 41.5525 179.1198 88 L 3.9421 7.8888 118.4151 57.9525 41.5502 178.8104 89 E 4.2114 8.0777 118.5542 59.5270 29.2965 178.5659 90 A 4.0155 7.6396 118.8126 55.3620 18.6975 179.3930 91 L 4.0523 8.0625 117.2267 58.2515 41.6559 179.4506 92 T 3.9836 8.8707 116.6473 67.1380 68.3107 176.3951 93 K 3.7516 8.5368 118.9448 60.0345 32.2319 177.9695 94 H 4.6445 8.2049 115.3487 57.1647 29.9527 175.8340 95 F 5.0211 8.9178 118.9348 57.6371 40.7371 173.8754 96 Q 4.4983 7.9421 117.9488 55.6100 31.7234 173.3840 97 D 4.5599 8.9318 124.3340 54.7083 40.9789 176.1502 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 44 K 8.30 4.18 0.00 1.71 1.89 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 45 V 7.54 2.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.63 0.00 0.00 46 E 8.79 4.00 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 47 Y 6.83 3.59 0.00 3.22 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.41 4.42 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.29 6.30 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 50 E 7.80 4.29 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 51 E 7.93 3.74 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 52 L 7.88 4.05 0.00 2.09 1.78 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.82 3.44 0.00 1.57 1.51 0.00 1.24 0.00 0.00 0.89 0.00 0.00 2.68 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.84 7.81 54 T 7.98 3.79 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 55 H 8.47 4.31 0.00 3.38 3.54 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.35 3.74 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.96 0.00 0.00 57 S 8.20 3.94 0.00 3.82 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.78 4.17 0.00 1.96 1.93 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.73 1.48 7.81 59 G 7.86 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.14 4.28 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 61 L 8.02 4.15 0.00 1.60 1.78 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.94 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.84 4.02 0.00 1.64 1.28 0.00 1.44 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.23 7.81 64 F 7.26 4.28 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.21 4.29 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 66 V 8.21 3.56 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.95 0.00 0.00 67 P 0.00 4.27 0.00 2.05 2.11 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 68 M 7.56 4.07 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 69 L 7.55 3.72 0.00 1.88 1.63 1.04 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.33 3.77 0.00 1.93 1.76 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.47 7.81 71 E 7.72 3.79 0.00 2.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 72 A 7.44 3.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.79 4.04 0.00 3.15 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.12 3.74 0.00 2.02 2.01 0.00 3.32 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 75 A 7.84 4.25 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.39 4.29 0.00 2.96 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.73 4.42 0.00 1.70 1.71 1.10 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.59 4.06 0.00 1.71 1.82 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.44 7.81 80 S 8.16 3.97 0.00 4.06 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.27 4.33 0.00 1.63 1.65 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 83 K 6.16 4.58 0.00 1.64 1.63 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.47 7.81 84 K 7.32 4.47 0.00 1.87 1.58 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.17 7.81 85 Q 7.88 4.11 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 86 E 8.31 3.93 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 87 L 8.32 3.94 0.00 1.76 1.64 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.89 3.94 0.00 1.90 1.75 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.08 4.21 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 90 A 7.64 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.06 4.05 0.00 1.89 1.69 0.82 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.87 3.98 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 93 K 8.54 3.75 0.00 2.01 1.94 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.65 7.81 94 H 8.20 4.64 0.00 3.55 3.79 0.00 5.74 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.92 5.02 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.94 4.50 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.91 7.12 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 97 D 8.93 4.56 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00