NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1063 8.3031 121.7541 56.2728 32.3000 175.1156 3 G 3.5900 8.3489 112.7345 43.2223 0.0000 169.8616 4 D 4.3864 8.5534 119.5797 53.5591 43.6472 175.1685 5 K 3.7948 8.7735 127.5011 59.9702 32.0578 178.8194 6 K 3.9972 8.3598 118.2216 58.8228 32.0401 179.6027 7 V 3.5569 7.8290 118.3588 65.9749 31.5049 177.9475 8 I 3.7044 7.8210 119.5824 64.4202 36.9630 178.1829 9 Q 3.9201 8.1588 120.3539 59.4839 28.7847 178.0319 10 H 4.1556 8.3525 117.4313 58.9323 28.7476 177.7862 11 L 4.0367 8.5017 121.1067 57.8967 41.3290 179.3548 12 N 4.4083 8.4420 116.5805 55.7366 38.4391 177.5472 13 K 3.9355 8.0550 121.3507 59.5211 32.3707 178.9112 14 I 3.7023 8.1051 120.5414 64.3349 36.9743 178.0919 15 L 4.0704 8.1884 121.2881 58.1049 42.0180 179.1887 16 G 3.6410 8.3854 106.0245 47.9307 0.0000 175.3461 17 N 4.3604 8.1503 118.8057 56.1265 38.5425 177.3596 18 E 3.9420 8.2027 119.8963 59.4588 29.0467 179.3755 19 L 3.9809 8.0959 119.0272 57.7889 41.6137 179.8069 20 I 3.6761 7.6631 119.1611 64.2481 37.0100 178.2784 21 A 3.2723 8.0334 121.8026 54.7335 17.9993 179.5581 22 I 3.5776 8.1596 118.6210 64.9010 37.2771 178.4531 23 N 4.3912 7.7151 115.9767 56.0198 38.4059 177.4308 24 Q 3.8600 7.9899 121.0513 59.4852 29.0876 178.0642 25 Y 4.6860 7.9185 117.9386 61.0110 37.9196 177.9072 26 F 3.8575 8.6154 121.9735 61.0666 39.4048 176.9506 27 L 3.8917 8.0954 119.8022 58.5225 41.8821 178.2949 28 H 3.7485 7.9823 116.1467 58.9986 28.5695 177.2954 29 S 4.3626 8.3454 114.8485 61.9418 62.1317 176.6690 30 R 3.8343 7.7479 120.1467 58.9177 29.6640 179.0777 31 M 3.4702 7.9022 119.0421 57.9993 31.8820 178.6675 32 W 4.4695 7.9404 119.3304 59.9112 29.1351 178.3554 33 N 4.3855 8.4606 116.7434 56.4942 37.8098 177.0403 34 D 4.3161 8.1497 118.4155 56.7069 41.3497 177.3851 35 W 4.8626 8.0604 117.2552 56.7595 29.3063 177.1072 36 G 4.0197 8.3345 107.7177 45.7929 0.0000 175.0908 37 L 4.5864 7.8769 122.2940 53.5645 40.2377 177.2966 38 K 4.1080 8.5608 121.5542 58.5183 32.5278 178.7678 39 R 3.9361 7.9619 119.4601 58.9835 29.9810 178.2717 40 L 3.7644 7.7414 118.4814 57.5689 41.4797 179.3567 41 G 3.8682 8.2482 105.4280 48.0724 0.0000 175.5511 42 A 4.0561 8.2667 123.5904 55.0010 18.5240 179.2160 43 H 3.9410 8.3395 116.8584 59.3529 29.9173 177.1812 44 E 4.0169 8.6468 121.5217 59.2103 29.4773 178.0720 45 Y 4.0442 8.2901 119.8361 61.1818 38.8987 178.0054 46 H 4.0397 8.2002 116.8332 58.5985 28.8197 177.7627 47 E 3.8801 8.0087 120.2708 59.3628 29.2592 179.1534 48 S 4.3088 8.2854 113.2285 61.5314 62.4387 176.3790 49 I 3.6174 7.6000 122.5275 64.2711 36.7940 177.8739 50 D 4.3339 8.0443 119.7768 57.7308 40.6077 179.0280 51 E 4.0672 8.1351 118.3038 59.4915 29.4437 179.2075 52 M 4.0236 8.0830 118.9483 58.3754 32.0573 178.9806 53 K 4.0368 8.1293 118.6202 59.5278 32.1911 179.1385 54 H 4.2376 8.2950 116.3623 58.8336 28.5929 177.5324 55 A 3.9651 8.2506 122.7286 55.2316 18.2401 178.8230 56 D 4.3070 8.0869 116.4353 57.8636 41.2339 179.0172 57 K 4.0487 8.0099 118.3829 59.3710 31.9106 179.4698 58 L 4.0641 7.9240 119.4753 57.6560 41.5500 179.4816 59 I 3.7088 8.0875 120.1308 64.3830 37.0645 178.3055 60 E 3.9835 8.2639 119.3414 59.4551 29.2562 179.4695 61 R 4.0209 8.0561 118.6781 59.4395 30.1361 178.4402 62 I 3.7079 8.0173 119.8065 64.6306 37.1489 178.4605 63 L 4.1626 8.0419 119.6399 57.6879 41.1631 179.3622 64 F 4.3244 8.1331 120.0419 61.0728 39.6514 176.3784 65 L 3.9586 8.0507 116.4383 54.4599 41.1746 177.4083 66 E 3.5078 7.8198 117.6253 57.1152 27.0915 174.5707 67 G 3.9255 7.8923 108.6659 44.1548 0.0000 173.4669 68 L 4.5851 8.0111 118.8784 52.0574 42.6998 175.2836 69 P 4.4480 0.0000 0.0000 62.3214 31.9169 175.8886 70 N 4.7488 8.7732 120.7378 52.4046 39.0310 174.1393 71 L 4.6205 8.3373 124.2074 54.5418 42.6220 177.4331 72 Q 4.0332 8.4111 121.6000 58.0994 29.2870 175.5566 73 D 4.5576 8.1548 118.1656 53.0106 40.8566 175.3400 74 L 4.5523 8.3402 126.9772 52.9482 43.6364 176.4995 75 G 3.8683 8.2807 117.3465 44.6523 0.0000 171.3344 76 K 4.1448 8.4215 121.8265 55.3793 32.5300 177.5708 77 L 3.9875 8.4281 127.1998 54.7089 41.9855 176.9120 78 L 4.3770 8.7676 124.9346 53.5749 40.8600 175.6690 79 I 4.4004 8.1512 124.6950 59.3171 38.6404 176.5558 80 G 4.0281 8.6767 114.7818 44.6175 0.0000 172.7668 81 E 4.7098 9.3563 115.9973 55.8642 30.4093 175.5469 82 N 5.0118 7.6105 116.9525 51.0247 41.8898 174.8184 83 T 4.3415 8.5454 114.0573 65.4264 67.5880 175.7079 84 Q 4.0137 8.2216 121.2548 59.1892 29.1376 177.9193 85 E 4.0638 8.6827 119.7253 59.4037 29.4565 179.0137 86 M 3.8736 8.2750 118.9408 58.5088 31.9094 178.8815 87 L 4.1669 8.0698 118.9239 57.7021 41.7694 179.3748 88 Q 3.9542 8.0739 119.1985 59.2757 29.0555 177.8062 89 C 4.1508 8.7398 118.1046 63.0917 28.2428 175.7954 90 D 4.6912 8.4466 120.4014 57.4734 40.4414 178.6868 91 L 4.0324 8.2843 120.8894 58.2236 42.0945 178.7723 92 N 4.3357 8.6539 116.7849 56.2346 38.4923 176.9164 93 L 3.9940 8.0333 121.6284 58.5007 42.0789 178.9536 94 E 4.1249 8.4516 118.2667 59.4904 29.4919 179.4092 95 L 4.0331 8.1001 119.1218 57.5528 41.7633 179.4783 96 K 3.9723 8.2614 119.5233 59.3905 32.2047 178.6839 97 A 4.0501 8.4101 121.5396 55.6229 18.3436 179.8002 98 T 3.8830 8.3342 114.5864 66.4879 68.3655 176.9738 99 K 3.9703 7.9960 121.2066 59.6857 32.2402 178.7440 100 D 4.4337 8.0988 118.8999 57.1473 40.6193 178.7784 101 L 3.9901 7.9125 119.6060 57.8226 41.7678 179.6281 102 R 3.9235 7.9165 117.8414 59.4932 29.9649 179.0700 103 E 4.0181 8.1128 117.8542 59.1602 29.3971 179.2608 104 A 3.5645 8.1011 121.1230 54.9057 18.3339 179.8012 105 I 3.6287 7.9382 118.5033 64.4206 37.2209 178.5261 106 V 3.5628 7.5870 118.7519 66.5274 31.2837 177.6231 107 H 4.0607 8.0000 117.3040 59.2612 29.6987 176.7215 108 C 3.9625 8.1582 118.7080 62.9286 27.9548 175.7624 109 E 3.8949 8.2882 120.5739 59.4295 29.0292 178.4389 110 Q 3.9444 7.8255 117.9954 58.9024 29.0694 178.0433 111 V 4.0244 7.3783 109.8989 60.6559 31.8860 175.6351 112 H 3.1040 7.6671 114.0925 57.0675 26.8485 176.3540 113 D 4.5241 7.4297 120.5640 53.3286 37.9860 175.7748 114 Y 4.3377 7.3484 121.3089 60.4827 38.4169 177.9808 115 V 3.6522 7.8279 119.0624 66.1105 31.8198 178.0689 116 S 4.1659 8.2341 114.4981 61.5766 62.5711 176.6894 117 R 3.9082 8.1128 121.4720 59.4524 29.8262 178.1196 118 D 4.3382 8.4174 118.0486 57.0267 41.2142 177.7902 119 L 3.9137 8.0623 120.9143 58.3695 42.0363 179.0595 120 L 3.9851 8.0275 118.7556 57.6384 41.5303 179.3964 121 K 3.9224 8.4903 120.0299 59.6672 32.0162 178.6306 122 D 4.3714 8.1576 119.2087 57.3237 40.6299 178.8293 123 I 3.5180 7.7191 120.4273 64.0416 36.9849 178.1887 124 L 3.9170 8.2013 121.5841 58.1625 41.9578 178.5253 125 E 3.9042 8.2574 119.2391 59.5030 29.5160 178.8267 126 S 4.0925 7.9190 112.7879 61.3562 62.3654 175.9925 127 E 4.1635 8.5082 121.7752 59.2950 29.1429 179.1398 128 E 3.9952 8.5894 119.2181 59.3175 29.4047 179.0952 129 E 4.0135 8.2409 118.6591 59.8982 29.5409 179.1066 130 H 4.3661 8.2295 116.1194 58.9970 28.6460 177.9860 131 I 3.7794 8.0808 121.8454 64.3595 36.9759 177.9630 132 D 4.3036 8.3108 118.9234 57.4434 41.1105 177.4266 133 Y 4.1254 8.3621 120.3274 60.8048 38.8624 178.3695 134 L 3.5825 7.9991 119.5671 57.8360 41.7800 179.2608 135 E 3.9145 8.3722 118.8159 59.7308 29.3475 179.7076 136 T 3.7897 7.8296 115.6461 66.6770 68.4352 176.7135 137 Q 3.8269 7.6734 119.8785 58.8227 28.4948 179.0801 138 L 3.8258 7.6446 119.7705 57.6055 41.6672 179.5772 139 G 3.6516 8.0520 105.7245 48.0029 0.0000 175.6468 140 L 4.0105 8.1564 121.7380 57.4322 41.6383 179.4989 141 I 3.5259 7.5473 119.9855 64.6218 36.7681 178.5041 142 Q 4.0103 7.5656 117.6836 58.6411 28.5649 178.4682 143 K 4.1672 7.8074 118.8287 58.5876 32.4309 178.8497 144 V 4.1746 8.1499 109.9147 59.7272 32.9146 176.1951 145 G 4.1332 7.6566 107.3787 45.8161 0.0000 174.3578 146 L 3.9905 8.5768 123.2882 58.2266 41.9719 179.5565 147 E 3.9794 8.0996 117.7526 59.4088 29.5125 178.5483 148 N 4.2752 8.2349 116.0833 56.6810 38.4028 176.4887 149 Y 3.9789 7.8878 119.1893 60.7957 39.2753 177.9471 150 L 4.0758 8.2338 119.9224 57.5572 41.6246 179.0421 151 Q 3.8899 8.3939 120.0099 59.5192 28.8211 178.7838 152 S 4.1999 8.0934 113.9245 60.4088 62.9751 175.2066 153 H 4.6611 7.3490 118.4656 55.4422 29.1841 176.1870 154 M 4.0303 7.6809 122.6018 58.4833 32.3295 175.5421 155 H 5.2040 7.6035 114.0849 53.6885 30.6888 174.8317 156 E 4.1377 8.7919 122.0954 56.8174 29.2376 176.8319 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 2 K 8.30 4.11 0.00 1.64 1.76 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.46 7.81 3 G 8.35 3.59 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 4 D 8.55 4.39 0.00 2.77 2.53 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 5 K 8.77 3.79 0.00 1.93 1.79 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.51 1.12 7.81 6 K 8.36 4.00 0.00 1.86 1.59 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.60 7.81 7 V 7.83 3.56 2.20 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 1.01 0.00 0.00 0.92 0.00 0.00 8 I 7.82 3.70 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.46 0.89 0.00 0.00 9 Q 8.16 3.92 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 10 H 8.35 4.16 0.00 3.35 3.29 0.00 5.68 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 11 L 8.50 4.04 0.00 1.80 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.44 4.41 0.00 2.83 2.85 0.00 0.00 6.60 7.22 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 13 K 8.05 3.94 0.00 1.91 1.97 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 I 8.11 3.70 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.03 0.92 0.00 0.00 15 L 8.19 4.07 0.00 1.81 1.89 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.39 3.64 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 17 N 8.15 4.36 0.00 3.01 2.89 0.00 0.00 7.04 7.70 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 18 E 8.20 3.94 0.00 2.12 2.01 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 2.60 2.54 0.00 19 L 8.10 3.98 0.00 1.80 1.68 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.66 3.68 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 0.84 0.00 0.00 21 A 8.03 3.27 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 22 I 8.16 3.58 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.77 0.88 0.00 0.00 23 N 7.72 4.39 0.00 2.79 2.83 0.00 0.00 6.74 7.48 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 24 Q 7.99 3.86 0.00 2.08 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 25 Y 7.92 4.69 0.00 3.10 3.11 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 26 F 8.62 3.86 0.00 3.27 3.11 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 27 L 8.10 3.89 0.00 1.88 1.76 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.98 3.75 0.00 3.51 2.88 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.35 4.36 0.00 4.00 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 30 R 7.75 3.83 0.00 1.83 1.85 0.00 2.93 0.00 0.00 2.56 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 31 M 7.90 3.47 0.00 0.86 1.55 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.18 0.00 32 W 7.94 4.47 0.00 3.64 3.36 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 33 N 8.46 4.39 0.00 2.85 2.85 0.00 0.00 6.66 8.34 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 34 D 8.15 4.32 0.00 2.51 2.65 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 35 W 8.06 4.86 0.00 3.73 3.17 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 36 G 8.33 4.02 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 37 L 7.88 4.59 0.00 2.20 1.65 1.29 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.56 4.11 0.00 1.82 1.97 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.73 7.81 39 R 7.96 3.94 0.00 1.92 1.94 0.00 3.21 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 40 L 7.74 3.76 0.00 1.30 0.16 0.50 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.25 3.87 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 42 A 8.27 4.06 1.42 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 43 H 8.34 3.94 0.00 3.31 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.65 4.02 0.00 2.55 2.34 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 2.77 2.67 0.00 45 Y 8.29 4.04 0.00 3.05 3.06 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 46 H 8.20 4.04 0.00 3.32 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.01 3.88 0.00 2.05 1.77 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 2.20 0.00 48 S 8.29 4.31 0.00 4.11 4.07 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 0.00 0.00 0.00 0.00 49 I 7.60 3.62 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.34 0.83 0.00 0.00 50 D 8.04 4.33 0.00 2.94 2.70 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 51 E 8.14 4.07 0.00 2.13 2.09 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 2.75 2.52 0.00 52 M 8.08 4.02 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 53 K 8.13 4.04 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.63 7.81 54 H 8.30 4.24 0.00 3.47 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.25 3.97 1.36 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 56 D 8.09 4.31 0.00 2.94 2.85 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 57 K 8.01 4.05 0.00 2.04 1.86 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 58 L 7.92 4.06 0.00 1.88 1.72 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.09 3.71 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.92 0.00 0.00 60 E 8.26 3.98 0.00 2.17 2.01 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 2.34 2.33 0.00 61 R 8.06 4.02 0.00 1.98 2.11 0.00 3.33 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.02 3.71 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.91 0.00 0.00 63 L 8.04 4.16 0.00 2.10 1.78 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.13 4.32 0.00 2.97 3.31 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 L 8.05 3.96 0.00 1.83 1.60 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.82 3.51 0.00 2.02 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 2.15 2.23 0.00 67 G 7.89 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.59 0.00 1.61 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.45 0.00 2.04 1.98 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 70 N 8.77 4.75 0.00 2.66 2.71 0.00 0.00 7.02 7.29 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 71 L 8.34 4.62 0.00 1.61 1.62 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.41 4.03 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.15 4.56 0.00 2.69 2.60 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 L 8.34 4.55 0.00 1.52 1.52 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.28 3.87 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 76 K 8.42 4.14 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.43 3.99 0.00 1.63 1.57 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.77 4.38 0.00 1.76 1.69 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.15 4.40 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.90 0.00 0.00 80 G 8.68 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 0.00 0.00 0.00 81 E 9.36 4.71 0.00 2.09 2.11 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 82 N 7.61 5.01 0.00 2.89 2.86 0.00 0.00 5.85 7.22 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 83 T 8.55 4.34 5.32 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 0.00 0.00 1.62 0.00 0.00 84 Q 8.22 4.01 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 85 E 8.68 4.06 0.00 2.22 2.00 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 2.35 2.59 0.00 86 M 8.27 3.87 0.00 1.47 2.25 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 1.88 0.00 87 L 8.07 4.17 0.00 1.77 1.71 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.07 3.95 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.74 4.15 0.00 3.31 3.22 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 0.00 90 D 8.45 4.69 0.00 2.97 2.75 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 8.28 4.03 0.00 1.89 1.91 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.65 4.34 0.00 2.91 2.89 0.00 0.00 6.67 6.44 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 93 L 8.03 3.99 0.00 2.01 1.97 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.45 4.12 0.00 2.27 2.09 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 2.73 2.64 0.00 95 L 8.10 4.03 0.00 1.87 1.74 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.26 3.97 0.00 1.91 1.99 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.41 4.05 1.44 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 98 T 8.33 3.88 4.51 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 99 K 8.00 3.97 0.00 1.87 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 8.10 4.43 0.00 2.79 2.73 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 0.00 101 L 7.91 3.99 0.00 1.97 1.72 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.92 3.92 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 103 E 8.11 4.02 0.00 2.02 2.05 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 2.35 2.50 0.00 104 A 8.10 3.56 1.33 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 0.00 105 I 7.94 3.63 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.93 0.00 0.00 106 V 7.59 3.56 2.21 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 0.98 0.00 0.00 0.97 0.00 0.00 107 H 8.00 4.06 0.00 3.35 3.21 0.00 5.86 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 0.00 108 C 8.16 3.96 0.00 3.19 3.13 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 0.00 109 E 8.29 3.89 0.00 2.12 2.13 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 2.46 0.00 110 Q 7.83 3.94 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 111 V 7.38 4.02 2.01 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 0.85 0.00 0.00 0.96 0.00 0.00 112 H 7.67 3.10 0.00 3.17 3.22 0.00 5.64 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.43 4.52 0.00 2.63 2.48 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 0.00 114 Y 7.35 4.34 0.00 3.10 2.93 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 0.00 0.00 0.00 115 V 7.83 3.65 2.16 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.23 4.17 0.00 3.98 3.92 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 0.00 117 R 8.11 3.91 0.00 1.94 2.20 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 118 D 8.42 4.34 0.00 3.08 2.73 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 0.00 119 L 8.06 3.91 0.00 1.93 1.80 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.03 3.99 0.00 1.90 1.70 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.49 3.92 0.00 1.96 2.03 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 122 D 8.16 4.37 0.00 2.89 2.69 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 0.00 123 I 7.72 3.52 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.84 0.00 0.00 124 L 8.20 3.92 0.00 1.81 1.88 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.26 3.90 0.00 2.08 2.06 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 2.31 2.33 0.00 126 S 7.92 4.09 0.00 3.92 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 0.00 127 E 8.51 4.16 0.00 2.04 2.23 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 2.52 2.53 0.00 128 E 8.59 4.00 0.00 2.14 2.02 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 2.35 2.49 0.00 129 E 8.24 4.01 0.00 2.18 2.03 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 2.35 2.49 0.00 130 H 8.23 4.37 0.00 3.58 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.08 3.78 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.94 0.00 0.00 132 D 8.31 4.30 0.00 2.92 2.91 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 0.00 133 Y 8.36 4.13 0.00 3.15 3.22 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 0.00 134 L 8.00 3.58 0.00 2.08 1.66 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.37 3.91 0.00 2.02 1.96 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 2.31 2.43 0.00 136 T 7.83 3.79 4.25 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 1.19 0.00 0.00 137 Q 7.67 3.83 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.44 1.96 0.00 138 L 7.64 3.83 0.00 1.73 1.60 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.05 3.65 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 0.00 140 L 8.16 4.01 0.00 1.74 1.83 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.55 3.53 1.80 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.04 0.81 0.00 0.00 142 Q 7.57 4.01 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 143 K 7.81 4.17 0.00 1.74 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 144 V 8.15 4.17 2.12 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 0.78 0.00 0.00 1.14 0.00 0.00 145 G 7.66 4.13 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 0.00 146 L 8.58 3.99 0.00 1.77 1.70 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.10 3.98 0.00 2.06 1.98 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 2.40 2.40 0.00 148 N 8.23 4.28 0.00 3.09 2.90 0.00 0.00 6.72 7.48 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 0.00 149 Y 7.89 3.98 0.00 3.07 3.23 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 0.00 150 L 8.23 4.08 0.00 1.91 1.72 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.39 3.89 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 8.09 4.20 0.00 3.70 3.62 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 0.00 153 H 7.35 4.66 0.00 2.90 3.03 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.68 4.03 0.00 1.71 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 155 H 7.60 5.20 0.00 3.14 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.79 4.14 0.00 1.96 1.87 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 2.32 2.31 0.00