NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.2624 8.0549 114.0566 60.7483 33.7845 175.5809 2 H 3.8037 8.7680 118.2058 56.3906 28.1063 174.7207 3 L 3.6224 9.1321 123.5910 55.5855 38.6836 173.9281 4 T 3.9756 8.8528 112.8005 61.3588 70.8800 173.1348 5 P 4.1386 0.0000 0.0000 66.2419 31.2714 178.4911 6 E 3.9916 8.0756 117.3605 59.0189 29.6481 178.5552 7 E 3.8857 7.9979 118.6818 59.1462 29.5629 178.9948 8 K 3.8314 8.2048 119.8846 59.6165 32.1552 179.0463 9 S 4.0741 7.9327 114.6248 61.4338 62.7663 176.3061 10 A 3.9552 8.0482 123.5342 55.3277 18.1375 179.8507 11 V 3.4294 8.2157 116.8690 66.3613 31.5804 178.4254 12 T 3.9452 8.0663 115.2358 66.5737 68.1017 176.5312 13 A 4.0547 8.4210 121.7851 55.1797 18.7256 179.1612 14 L 3.9204 8.2438 118.9072 57.9813 42.1429 178.9267 15 W 4.3745 8.7771 128.5982 60.4652 30.4107 178.0736 16 G 3.8847 8.0708 104.3992 47.1487 0.0000 174.1815 17 K 4.3800 7.7706 117.9040 56.3584 32.7094 176.9406 18 V 3.5684 7.6357 120.8879 62.0443 31.9878 175.0681 19 N 4.3582 8.3690 125.6379 53.0275 38.3609 175.3972 20 V 3.5647 8.2222 126.8430 65.7160 31.8192 176.7619 21 D 4.5984 8.2328 118.3776 55.5884 41.3875 177.3680 22 E 4.4806 8.1214 117.4163 57.4075 31.5500 177.9059 23 V 3.5484 7.6342 118.2956 66.1198 31.4263 178.3718 24 G 3.7496 8.0574 104.8886 47.8289 0.0000 175.8206 25 G 3.6848 8.0245 107.6349 47.3385 0.0000 175.6199 26 E 3.9892 8.3830 120.9031 59.0917 29.3781 179.2038 27 A 3.9551 8.0975 120.9442 55.0608 18.4228 179.5053 28 L 3.9855 8.0123 119.0855 58.1249 42.1628 179.4062 29 G 3.5266 8.1526 105.7340 47.9420 0.0000 175.9842 30 R 3.9034 8.4316 121.1090 58.5581 29.9556 178.8281 31 L 4.0437 8.1220 120.4465 58.3365 41.7196 179.1526 32 L 4.0989 8.0004 120.2000 56.9950 41.2192 179.6781 33 V 3.6184 7.3562 117.5742 65.6814 31.6528 177.9993 34 V 3.5334 7.7920 117.3298 64.2377 32.7454 175.5823 35 Y 3.9712 7.3252 116.8727 53.7143 37.8745 173.7647 36 P 4.4284 0.0000 0.0000 64.7511 31.3487 178.3858 37 W 4.3121 8.1746 115.9058 59.4293 27.8037 178.0042 38 T 4.3634 7.5635 110.5307 64.4512 68.1317 176.3024 39 Q 4.2316 8.3589 121.4022 58.6129 28.4035 178.2588 40 R 3.8802 7.9184 119.4127 59.0538 30.0791 177.5513 41 F 4.3865 7.7555 114.8559 57.6240 39.3406 175.6879 42 F 4.4634 7.9402 118.3477 56.6012 39.6454 176.8850 43 E 3.9562 8.5280 124.4630 59.4305 29.4537 178.1933 44 S 4.6048 8.0982 110.2033 59.3195 63.3671 174.6640 45 F 4.4151 8.5843 120.4295 58.6202 39.6519 175.6140 46 G 3.9370 7.6077 104.5409 43.7544 0.0000 172.6972 47 D 4.4453 8.6339 122.0273 54.7804 41.4369 176.6443 48 L 4.9007 8.3770 125.0430 54.3879 43.4264 177.8403 49 S 4.3010 8.6643 116.6369 60.7697 63.1977 174.7584 50 T 4.7296 7.4357 110.1644 58.3862 72.9548 172.5996 51 P 4.1828 0.0000 0.0000 66.0118 31.4195 178.7636 52 D 4.2957 8.0510 116.9681 57.1396 40.9383 178.3775 53 A 3.9857 8.2661 121.6099 55.0867 18.1642 179.8120 54 V 3.5146 7.7718 115.6353 66.6454 31.7983 178.1233 55 M 4.2824 8.2471 116.9466 57.3371 31.8448 177.9359 56 G 4.0556 7.6271 103.2710 43.1528 0.0000 173.1715 57 N 4.2947 7.4913 120.5623 53.4674 39.3564 173.7038 58 P 4.2893 0.0000 0.0000 65.4835 31.3104 178.8802 59 K 3.6961 7.9877 117.0624 59.1176 31.9825 179.2421 60 V 3.8440 8.0505 118.5842 65.9973 31.3248 177.9759 61 K 3.8955 8.1480 118.9485 59.4679 31.6326 178.6200 62 A 3.9808 8.2527 121.3613 55.4689 18.3635 179.1260 63 H 4.1910 9.0826 117.7855 59.3980 30.0050 177.6601 64 G 3.7659 8.8519 107.9185 47.6713 0.0000 175.4619 65 K 4.0636 7.9179 121.9334 59.4181 32.1583 179.1081 66 K 4.0582 7.6039 118.5962 59.1929 31.9884 179.4281 67 V 3.6877 7.6990 118.5404 66.1365 31.4346 177.8186 68 L 4.4591 8.6804 120.5688 58.2577 41.8777 179.0674 69 G 3.7615 8.3952 105.5227 47.8703 0.0000 175.5358 70 A 3.9697 8.2488 123.1592 54.8693 18.4018 179.7334 71 F 4.0400 8.3868 116.3171 60.8346 39.0411 177.9094 72 S 4.1502 8.8768 115.1649 61.8096 62.4577 176.4936 73 D 4.4755 8.1094 120.5502 57.4371 40.8853 178.8570 74 G 3.9022 8.1673 106.0793 47.8838 0.0000 175.7376 75 L 3.8946 7.7835 120.2229 57.2528 41.6837 178.7886 76 A 4.1955 7.7266 118.0329 53.2528 19.5420 177.2226 77 H 4.8944 8.0210 115.2627 54.2498 29.9639 175.1542 78 L 3.9681 7.9078 119.4564 57.5584 42.0115 178.5426 79 D 4.6832 7.9584 115.8136 54.5964 41.9043 175.8301 80 N 5.0609 8.1813 118.4548 51.5981 39.2814 175.4829 81 L 4.1792 7.9148 121.2264 57.8697 41.9989 179.3562 82 K 4.0742 8.0852 117.5421 59.3419 32.3284 179.1791 83 G 3.6402 8.0919 105.6412 48.1914 0.0000 175.7443 84 T 3.7009 7.6978 117.3583 65.7636 68.6958 175.5896 85 F 4.3920 8.0910 116.9289 56.9893 39.1736 177.3830 86 A 3.9403 7.7296 123.3794 55.7234 18.1577 180.5274 87 T 3.7912 7.7291 113.4881 66.8519 68.5420 176.8656 88 L 4.0574 7.8205 120.3956 57.6293 41.5888 179.3553 89 S 4.0513 8.5622 113.6783 61.3246 62.3963 175.8390 90 E 4.0687 8.1201 123.3458 58.5112 29.2879 178.4793 91 L 3.8900 7.9915 120.3432 58.7009 42.2243 178.7876 92 H 4.2665 8.6273 116.3443 58.5213 28.7689 177.2868 93 C 4.1884 8.2621 120.2791 61.6598 28.3034 175.8445 94 D 4.2695 7.8025 119.6791 56.6852 41.0174 178.8504 95 K 4.0754 7.9561 118.6532 58.4558 32.6372 177.3416 96 L 4.3287 7.9504 116.3136 54.8020 42.4995 176.1592 97 H 4.7001 7.9493 113.8696 55.5917 26.1040 175.2926 98 V 3.7165 8.3160 118.5965 62.0190 32.4495 175.0173 99 D 4.2737 8.7106 127.2520 53.3800 41.8306 175.0945 100 P 3.2995 0.0000 0.0000 65.3096 31.7082 177.9255 101 E 3.8814 8.6474 120.1163 59.2437 29.3342 178.4005 102 N 4.4155 7.9977 116.1991 55.7062 38.5368 177.3565 103 F 4.4843 7.4075 119.8389 60.4073 38.9107 177.6012 104 R 3.9933 7.9716 118.0881 59.2425 29.9668 178.3273 105 L 3.8704 7.6719 118.4957 57.7119 41.6191 179.2991 106 L 4.1451 8.2165 120.3555 58.1249 42.0788 179.0646 107 G 3.8567 8.3822 105.7126 48.1995 0.0000 175.3654 108 N 4.5314 8.4932 118.7485 55.7253 38.4791 177.8424 109 V 3.6457 8.2727 120.5089 65.7325 31.5663 177.7798 110 L 3.8192 8.4623 120.5718 58.0627 41.8234 179.0201 111 V 3.4415 7.7168 118.1384 66.2360 31.3473 177.7204 112 C 4.0152 8.1320 116.3147 62.8740 27.9209 176.3113 113 V 3.5294 7.9182 119.9162 65.9027 30.9804 178.0999 114 L 3.8669 7.8341 118.6084 57.6312 41.3904 179.3091 115 A 3.6259 7.2666 120.7532 55.2257 18.0235 179.1860 116 H 4.1189 8.0400 116.1650 59.6837 29.9870 176.9969 117 H 4.0141 8.1776 117.2533 58.2353 28.9998 177.0030 118 F 4.5935 8.6787 118.1332 56.6443 39.6247 177.4122 119 G 3.8553 8.8060 108.9145 45.9735 0.0000 176.7349 120 K 3.9645 8.9651 123.2040 59.1562 32.0185 177.4034 121 E 4.0911 8.1256 118.5397 58.4781 30.0125 177.0886 122 F 4.5143 8.2207 123.6072 56.9313 37.8342 175.3563 123 T 4.1362 7.3133 115.4046 60.5417 71.2319 173.4438 124 P 4.1639 0.0000 0.0000 65.4548 31.3349 177.2894 125 P 4.2718 0.0000 0.0000 65.2550 31.3067 178.7354 126 V 3.4868 7.5138 116.9611 65.8616 31.2709 177.9131 127 Q 3.5551 7.8867 119.3214 58.9935 28.7218 177.7936 128 A 3.9597 8.3136 122.0161 55.2868 18.2245 179.5137 129 A 3.8746 7.8766 118.8787 55.6468 18.4388 179.6007 130 Y 3.9334 8.0854 115.0814 61.0259 37.8556 178.6623 131 Q 4.1468 8.5185 119.7677 58.6769 28.6978 178.8055 132 K 3.9541 7.8078 119.6609 59.3094 32.0200 179.4682 133 V 3.5423 7.5073 118.1625 66.3026 31.4872 178.6060 134 V 3.8063 8.3615 112.2481 64.2035 31.2653 178.5130 135 A 4.1225 8.3756 120.9870 55.0459 18.2386 179.8375 136 G 3.5344 8.2628 104.3841 47.9911 0.0000 176.1315 137 V 2.9385 7.9560 120.7209 65.3744 31.5452 178.0540 138 A 3.8772 8.0549 120.6447 55.0174 17.9702 179.1644 139 N 4.3275 8.2072 114.8926 56.7034 39.2006 176.6684 140 A 4.1352 7.9953 122.2756 55.2165 18.2470 179.6089 141 L 3.7600 7.6018 116.0873 56.9287 41.7836 178.5300 142 A 4.8263 7.7780 119.0533 52.7658 18.8218 178.2380 143 H 3.6299 7.7581 118.0330 59.3454 29.6498 177.1063 144 K 3.8027 7.8529 118.5809 59.2272 31.5798 177.1581 145 Y 4.7026 7.8987 116.2382 58.3279 37.8458 175.3941 146 H 4.6589 8.6137 124.1093 55.9947 29.0341 174.3389 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 1 V 8.05 4.26 2.08 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 0.90 0.00 0.00 0.97 0.00 0.00 2 H 8.77 3.80 0.00 3.13 2.75 0.00 5.96 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.13 3.62 0.00 1.79 1.75 0.83 0.77 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 4 T 8.85 3.98 4.23 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 1.26 0.00 0.00 5 P 0.00 4.14 0.00 2.16 2.16 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 6 E 8.08 3.99 0.00 2.02 1.91 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 2.35 2.38 0.00 7 E 8.00 3.89 0.00 2.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 8 K 8.20 3.83 0.00 1.89 1.87 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 9 S 7.93 4.07 0.00 4.04 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 10 A 8.05 3.96 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 11 V 8.22 3.43 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 0.47 0.00 0.00 0.40 0.00 0.00 12 T 8.07 3.95 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 13 A 8.42 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.24 3.92 0.00 1.93 1.93 0.20 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.78 4.37 0.00 3.77 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.07 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 17 K 7.77 4.38 0.00 2.24 2.11 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.46 7.81 18 V 7.64 3.57 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.71 0.00 0.00 19 N 8.37 4.36 0.00 2.65 2.57 0.00 0.00 6.85 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.22 3.56 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 0.86 0.00 0.00 0.87 0.00 0.00 21 D 8.23 4.60 0.00 2.81 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 22 E 8.12 4.48 0.00 1.91 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 2.25 2.28 0.00 23 V 7.63 3.55 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 0.83 0.00 0.00 0.57 0.00 0.00 24 G 8.06 3.75 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 0.00 0.00 0.00 25 G 8.02 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.38 3.99 0.00 2.13 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 2.31 2.44 0.00 27 A 8.10 3.96 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 28 L 8.01 3.99 0.00 1.82 1.66 0.68 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.15 3.53 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 0.00 0.00 0.00 30 R 8.43 3.90 0.00 1.85 1.91 0.00 3.06 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 31 L 8.12 4.04 0.00 1.89 1.87 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.00 4.10 0.00 1.79 1.64 0.59 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.36 3.62 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 0.70 0.00 0.00 0.94 0.00 0.00 34 V 7.79 3.53 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.69 0.00 0.00 35 Y 7.33 3.97 0.00 2.56 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.29 2.29 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.93 0.00 37 W 8.17 4.31 0.00 3.60 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.56 4.36 4.42 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 1.14 0.00 0.00 39 Q 8.36 4.23 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 40 R 7.92 3.88 0.00 1.79 1.65 0.00 3.12 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.52 0.00 41 F 7.76 4.39 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 4.46 0.00 2.89 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 3.96 0.00 2.01 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 2.43 2.35 0.00 44 S 8.10 4.60 0.00 4.15 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 45 F 8.58 4.42 0.00 3.25 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 46 G 7.61 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.63 4.45 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 4.90 0.00 1.65 1.60 1.00 1.01 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 49 S 8.66 4.30 0.00 3.98 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 50 T 7.44 4.73 4.23 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 1.21 0.00 0.00 51 P 0.00 4.18 0.00 2.14 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 52 D 8.05 4.30 0.00 2.67 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 53 A 8.27 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.77 3.51 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 0.85 0.00 0.00 0.96 0.00 0.00 55 M 8.25 4.28 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.86 0.00 56 G 7.63 4.06 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 0.00 0.00 0.00 57 N 7.49 4.29 0.00 3.00 2.87 0.00 0.00 7.10 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.29 0.00 2.15 2.05 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 59 K 7.99 3.70 0.00 1.61 0.74 0.00 1.20 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.27 7.81 60 V 8.05 3.84 2.29 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 0.80 0.00 0.00 1.09 0.00 0.00 61 K 8.15 3.90 0.00 1.98 1.92 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 62 A 8.25 3.98 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 63 H 9.08 4.19 0.00 3.48 3.66 0.00 5.80 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 64 G 8.85 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.92 4.06 0.00 1.80 1.98 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 66 K 7.60 4.06 0.00 1.77 1.87 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.47 7.81 67 V 7.70 3.69 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.10 0.00 0.00 68 L 8.68 4.46 0.00 1.98 1.98 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.40 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.25 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.04 0.00 3.57 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 72 S 8.88 4.15 0.00 4.26 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.48 0.00 2.70 2.51 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 0.00 74 G 8.17 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 0.00 0.00 0.00 75 L 7.78 3.89 0.00 1.46 1.46 -0.71 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.73 4.20 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.02 4.89 0.00 3.13 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.91 3.97 0.00 1.60 1.71 0.83 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.96 4.68 0.00 2.66 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 80 N 8.18 5.06 0.00 2.72 2.62 0.00 0.00 7.15 6.45 0.00 0.00 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 L 7.91 4.18 0.00 1.77 1.82 0.88 1.17 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 82 K 8.09 4.07 0.00 1.71 1.80 0.00 1.85 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 83 G 8.09 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 84 T 7.70 3.70 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 0.69 0.00 0.00 85 F 8.09 4.39 0.00 3.07 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 86 A 7.73 3.94 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 87 T 7.73 3.79 4.18 0.00 0.00 0.00 0.00 0.00 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 88 L 7.82 4.06 0.00 1.88 1.78 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.56 4.05 0.00 3.95 3.98 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 90 E 8.12 4.07 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 2.48 2.29 0.00 91 L 7.99 3.89 0.00 1.87 1.81 0.90 0.91 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 H 8.63 4.27 0.00 3.36 3.66 0.00 5.85 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 93 C 8.26 4.19 0.00 2.62 1.85 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 94 D 7.80 4.27 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.96 4.08 0.00 1.68 2.02 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.44 7.81 96 L 7.95 4.33 0.00 1.79 1.74 0.76 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.95 4.70 0.00 3.44 3.49 0.00 5.75 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.32 3.72 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 0.32 0.00 0.00 0.42 0.00 0.00 99 D 8.71 4.27 0.00 2.74 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.30 0.00 2.19 2.39 0.00 3.30 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.41 0.00 101 E 8.65 3.88 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 102 N 8.00 4.42 0.00 2.66 2.83 0.00 0.00 6.92 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.41 4.48 0.00 3.06 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 0.00 104 R 7.97 3.99 0.00 1.91 2.09 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 105 L 7.67 3.87 0.00 1.76 1.18 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.22 4.15 0.00 1.89 1.84 1.01 1.16 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 0.00 107 G 8.38 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.49 4.53 0.00 2.82 2.95 0.00 0.00 6.67 7.26 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 0.00 109 V 8.27 3.65 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 1.16 0.00 0.00 1.21 0.00 0.00 110 L 8.46 3.82 0.00 1.53 1.68 0.81 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.72 3.44 2.31 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 1.33 0.00 0.00 1.12 0.00 0.00 112 C 8.13 4.02 0.00 3.17 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 0.00 113 V 7.92 3.53 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 1.07 0.00 0.00 0.92 0.00 0.00 114 L 7.83 3.87 0.00 0.97 1.15 0.46 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.27 3.63 1.20 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 0.00 116 H 8.04 4.12 0.00 3.20 3.44 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.18 4.01 0.00 2.87 2.56 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.68 4.59 0.00 3.28 3.20 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 0.00 119 G 8.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.97 3.96 0.00 1.77 1.92 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 121 E 8.13 4.09 0.00 2.14 2.39 0.00 0.00 0.00 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 2.31 0.00 122 F 8.22 4.51 0.00 3.05 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 0.00 123 T 7.31 4.14 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 1.29 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.14 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 125 P 0.00 4.27 0.00 2.10 2.05 0.00 3.51 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 2.07 2.10 0.00 126 V 7.51 3.49 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 0.89 0.00 0.00 0.85 0.00 0.00 127 Q 7.89 3.56 0.00 1.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 128 A 8.31 3.96 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 0.00 129 A 7.88 3.87 1.26 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 0.00 0.00 0.00 130 Y 8.09 3.93 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.52 4.15 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 132 K 7.81 3.95 0.00 1.92 1.83 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.40 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.55 7.81 133 V 7.51 3.54 2.19 0.00 0.00 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 0.77 0.00 0.00 134 V 8.36 3.81 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.15 0.00 0.00 135 A 8.38 4.12 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 0.00 136 G 8.26 3.53 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 0.00 0.00 0.00 137 V 7.96 2.94 1.88 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 -0.11 0.00 0.00 0.69 0.00 0.00 138 A 8.05 3.88 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 0.00 139 N 8.21 4.33 0.00 2.77 3.05 0.00 0.00 7.20 8.13 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 0.00 140 A 8.00 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.60 3.76 0.00 0.81 0.26 0.17 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.78 4.83 1.62 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 0.00 0.00 143 H 7.76 3.63 0.00 3.22 3.37 0.00 5.61 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 0.00 144 K 7.85 3.80 0.00 1.45 1.65 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.70 7.81 145 Y 7.90 4.70 0.00 3.32 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 0.00 146 H 8.61 4.66 0.00 3.02 3.08 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00