NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.0393 8.0393 114.0463 61.3547 32.9027 172.4176 5 S 4.7877 8.4764 114.4075 54.1444 65.4367 169.1561 6 V 2.9327 8.1064 119.4658 63.4694 32.4787 178.7518 7 R 4.0442 7.3067 118.6888 59.2626 30.2133 177.7157 8 D 4.4425 7.4940 116.9576 57.0076 40.9569 177.6506 9 V 3.8247 7.3043 116.4302 60.6640 32.1123 175.4781 10 A 4.2097 8.2880 124.1861 51.8134 18.8122 178.1361 11 A 4.1223 8.1979 120.6988 55.0564 18.3471 179.6403 12 Q 4.0148 7.9408 116.1246 59.4218 29.4911 178.3338 13 D 4.4242 8.1205 117.7795 56.4681 41.2877 177.7267 14 F 4.1583 7.8556 121.4149 61.4436 39.2474 177.1028 15 I 3.6077 7.5641 118.0899 64.2307 36.5899 178.2911 16 N 4.3615 7.7345 116.6896 56.1486 38.4289 177.1100 17 A 4.0981 7.9639 122.1932 55.3449 18.5504 179.1276 18 Y 4.1073 7.8775 118.0643 60.6672 38.5853 177.9303 19 A 3.9482 7.7209 121.7063 54.8559 18.1472 179.8539 20 S 3.9194 7.4904 113.1800 61.7023 63.0859 176.2321 21 F 4.1488 8.2082 122.6519 60.5348 38.7816 176.9819 22 L 3.9596 7.7950 120.3811 58.2690 41.6581 178.9851 23 Q 3.9776 7.4764 116.7493 58.5930 28.5667 178.4640 24 R 3.9420 7.1126 119.5125 58.0716 30.4440 176.8417 25 Q 4.0035 7.3343 118.9141 55.6736 29.3891 177.1938 26 G 4.0554 8.3824 116.6139 45.2059 0.0000 173.4534 27 K 4.3196 7.7179 116.6760 56.2539 34.9795 177.0276 28 L 4.4859 7.4359 117.8876 53.2106 41.7557 175.5912 29 E 4.3738 7.8336 120.8819 54.0376 30.9811 175.6206 30 V 3.0515 7.4477 112.6330 59.1334 31.9907 175.2094 31 P 3.6502 0.0000 0.0000 62.8469 32.0567 175.4147 32 G 4.0429 7.7313 106.0158 46.5574 0.0000 172.3292 33 Y 4.7026 7.5927 117.6472 59.5492 40.7317 178.6095 34 V 3.5737 5.9766 117.5735 63.7598 32.2043 176.9657 35 D 4.4275 7.9447 118.4790 55.5342 40.2257 176.4355 36 I 4.7317 6.8811 122.3933 59.2594 36.1636 174.2845 37 V 4.5583 7.0450 124.4597 62.7691 38.9937 176.6626 38 K 3.7887 7.7109 120.2724 58.8952 32.8155 178.3734 39 T 4.0605 7.8584 108.9942 64.3088 69.6454 175.7219 40 S 4.5061 7.2431 119.1044 56.2815 61.3446 172.0569 41 S 4.6885 7.6131 117.8387 60.5330 70.0800 174.1715 42 G 3.5545 8.3340 109.1159 45.5664 0.0000 173.5146 43 N 4.3147 8.0176 119.7364 53.4237 39.1753 173.2349 44 E 4.5345 8.6940 126.7682 54.6342 31.0563 174.5847 45 M 4.6610 8.4454 125.5314 52.7411 34.6748 173.8310 46 P 4.6387 0.0000 0.0000 61.2473 32.6449 175.3358 47 P 4.4508 0.0000 0.0000 64.9558 31.4740 178.3172 48 Q 4.2030 8.1143 116.9052 58.6909 29.0519 176.9637 49 D 4.4147 8.0928 115.0005 56.7379 41.7393 176.7939 50 A 3.9953 8.3421 122.2646 55.3975 18.2309 178.3716 51 E 3.4721 7.8703 108.2775 57.8155 28.1275 175.5896 52 G 4.3851 7.6870 118.7908 42.9114 0.0000 169.3942 53 W 4.3091 6.4255 118.3373 56.0611 34.3142 177.1816 54 F 3.7885 6.7959 120.4724 60.0681 38.4402 176.5477 55 Y 4.0656 7.1767 117.4708 60.1041 38.2353 177.5351 56 K 4.0302 7.6366 121.1218 58.8466 32.5125 178.6243 57 R 3.9238 7.9611 118.8840 59.1034 30.0137 178.3342 58 A 3.7779 7.6229 120.2397 54.7671 18.2036 179.4933 59 A 3.6197 7.5349 119.5401 55.0369 18.2178 180.1545 60 S 4.0287 7.8944 113.3302 61.8059 62.7678 177.0287 61 V 3.4775 7.4581 119.1841 66.0186 31.4489 177.6677 62 A 4.2318 8.2026 120.4775 55.0021 18.2764 179.5830 63 R 4.0378 8.1072 117.2514 59.9142 30.3432 178.1357 64 H 4.6076 8.2262 115.0723 57.6462 28.8782 176.6877 65 I 4.2598 7.5704 121.2132 62.1412 37.1044 176.8924 66 Y 3.9634 7.7095 120.4749 60.5273 39.0204 176.8163 67 M 4.3380 8.1622 117.6560 57.0951 32.2756 176.7376 68 R 4.2837 7.6796 115.7776 57.0955 32.3545 174.9209 69 K 4.8691 8.6958 117.2313 57.4675 31.7959 176.0495 70 Q 4.2306 7.5641 114.6081 55.2429 29.3202 175.3272 71 V 4.1084 7.2977 111.6586 60.7407 32.1901 176.4834 72 G 3.9234 8.7526 108.3337 46.3954 0.0000 174.0795 73 V 3.7720 8.5902 124.0839 65.6719 32.3277 178.3040 74 G 3.6459 8.1590 108.5454 48.3270 0.0000 174.2166 75 K 4.8512 7.7310 116.8419 55.7282 32.1443 177.1278 76 L 4.7623 7.7841 114.8255 54.6280 44.0795 176.8817 77 N 4.6023 8.0162 118.2781 54.8605 39.6352 176.8662 78 K 4.1358 7.7722 116.4301 58.6048 33.2537 177.6175 79 L 4.0445 7.4804 119.6445 56.8084 41.9044 176.9841 80 Y 4.5927 7.2449 114.3389 58.1750 39.8503 176.5433 81 G 3.8430 8.0004 108.7462 46.4962 0.0000 175.2779 82 G 3.7248 7.7390 115.6692 44.7878 0.0000 173.0717 83 A 4.7887 7.9576 134.9197 51.2266 19.8792 178.8649 84 K 3.9373 8.1396 121.6975 60.7214 33.2113 177.2237 85 S 4.2210 7.8618 114.9028 58.8652 62.6354 171.9525 86 R 4.3824 8.3872 124.7001 54.6084 28.2761 175.3069 87 G 3.8812 6.4419 110.2981 44.2907 0.0000 172.6332 88 V 4.2891 7.7590 125.9477 61.0026 33.1503 176.6020 89 R 4.5603 7.8733 115.5626 55.4119 29.1510 175.1757 90 P 4.1433 0.0000 0.0000 66.5430 31.7904 177.4539 91 Y 4.2951 7.5724 114.6251 60.0373 38.5753 176.7799 92 K 4.3003 7.8532 116.7125 56.2014 33.5176 175.9173 93 H 4.1994 8.6015 120.0846 56.0377 30.2561 175.1369 94 I 4.0550 8.1081 120.4231 60.8111 39.3296 176.5382 95 D 4.9288 8.1982 123.4682 52.8816 41.1432 177.9883 96 A 3.8254 8.5376 117.0512 55.5386 17.9797 179.7752 97 S 4.2100 8.6183 112.7837 61.2154 63.1519 176.8663 98 G 3.7155 7.9452 108.9634 48.3799 0.0000 175.6896 99 S 4.4436 8.0397 117.4711 59.9052 62.9382 176.8952 100 I 4.1338 7.4664 123.0097 64.6468 36.8833 177.6082 101 N 4.5316 8.0018 116.2742 56.0049 38.7305 177.2635 102 R 3.9941 8.0504 119.7199 58.8563 30.1155 178.8123 103 K 4.2051 7.8115 117.2192 59.3677 32.2714 179.3511 104 V 3.3616 7.7955 119.1706 64.7346 31.0258 178.1279 105 L 4.2026 7.7417 118.8567 56.3359 41.3544 179.0907 106 Q 3.9832 7.6055 117.9874 59.1172 28.8519 177.5334 107 A 4.2098 8.2450 121.8714 55.1067 18.4588 179.6381 108 L 4.0632 8.0707 117.5477 57.6651 41.3306 179.2504 109 E 4.3715 7.9182 120.6673 58.3374 29.3782 178.2422 110 K 4.0955 7.6514 115.6874 57.5878 32.2486 178.6597 111 I 4.1594 7.5020 120.1674 64.5142 37.7247 177.0304 112 G 4.1820 7.0341 107.6196 46.1578 0.0000 175.6020 113 I 4.1254 8.3989 122.2061 63.3753 37.6799 176.2310 114 V 4.9421 7.5836 113.2007 59.4738 34.6019 174.3406 115 E 4.7391 8.3179 121.1355 54.5632 33.5024 174.0071 116 I 4.7411 8.2414 120.1798 59.3696 39.5591 175.0123 117 S 4.7264 8.7821 124.4286 56.4041 64.5998 173.0054 118 P 4.6433 0.0000 0.0000 63.4970 31.5292 176.4616 119 K 4.5201 8.8031 117.6069 55.4230 33.0217 176.1330 120 G 3.7335 7.4780 113.3435 46.0032 0.0000 174.5288 121 G 3.7664 7.2327 115.2967 44.4672 0.0000 172.6013 122 R 4.7286 8.6088 122.5984 56.0779 31.8531 175.9120 123 R 5.1276 8.4438 121.5575 54.8230 33.8822 173.1642 124 I 4.8548 8.3608 117.1686 59.6779 40.8250 176.2369 125 S 5.0656 8.5142 124.7420 57.2643 64.7489 173.9256 126 E 3.9769 8.7187 116.0421 60.2813 29.4354 178.3407 127 N 4.5552 8.1597 118.1174 54.6116 39.0216 177.0308 128 G 3.6841 7.9871 107.1104 48.4228 0.0000 175.5224 129 Q 4.2165 7.9825 120.6010 57.0751 28.6095 178.8388 130 R 3.8238 7.6615 120.0781 59.3363 29.9998 178.2473 131 D 4.2620 7.5929 115.4709 56.8810 41.4153 177.0884 132 L 3.6980 7.5764 120.6814 56.9835 41.2755 177.9227 133 D 4.2761 8.2289 119.2726 56.0057 41.4607 178.8571 134 R 3.8675 7.5358 119.9898 59.1736 30.1401 178.2409 135 I 3.8784 7.5926 118.9667 63.8149 37.1298 177.9288 136 A 4.1435 7.8721 121.4575 54.8647 18.1755 179.6038 137 A 3.8996 7.6809 119.2524 55.4821 18.5135 179.9244 138 Q 3.9738 7.6797 115.5300 59.4119 28.7009 179.1581 139 T 4.0619 7.8893 116.4169 66.3738 68.3412 176.7095 140 L 4.1586 7.8204 122.2839 58.1122 41.8752 178.8540 141 E 4.0438 7.9876 117.5215 58.9351 29.4402 178.4943 142 E 4.2266 7.5454 116.1242 58.4249 29.7507 178.2134 143 D 4.5102 7.6360 118.4040 56.7483 41.0803 175.8974 144 E 4.1179 7.8476 123.7665 56.3371 29.6531 175.9185 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 4 V 8.04 4.04 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 0.88 0.00 0.00 0.84 0.00 0.00 5 S 8.48 4.79 0.00 3.89 3.99 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 0.00 0.00 0.00 6 V 8.11 2.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 -0.30 0.00 0.00 7 R 7.31 4.04 0.00 1.84 2.01 0.00 3.26 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 8 D 7.49 4.44 0.00 2.64 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 9 V 7.30 3.82 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 0.47 0.00 0.00 1.06 0.00 0.00 10 A 8.29 4.21 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 11 A 8.20 4.12 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 12 Q 7.94 4.01 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 13 D 8.12 4.42 0.00 2.79 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 14 F 7.86 4.16 0.00 3.24 3.32 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 0.00 15 I 7.56 3.61 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.80 0.95 0.00 0.00 16 N 7.73 4.36 0.00 2.81 2.88 0.00 0.00 7.00 7.23 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 17 A 7.96 4.10 1.32 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 0.00 0.00 0.00 18 Y 7.88 4.11 0.00 2.04 2.45 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 0.00 0.00 0.00 0.00 19 A 7.72 3.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.49 3.92 0.00 4.01 3.91 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 21 F 8.21 4.15 0.00 3.21 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 22 L 7.79 3.96 0.00 1.74 1.74 0.94 0.52 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 23 Q 7.48 3.98 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 24 R 7.11 3.94 0.00 1.34 1.44 0.00 3.20 0.00 0.00 2.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 25 Q 7.33 4.00 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 26 G 8.38 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 27 K 7.72 4.32 0.00 1.72 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.47 7.81 28 L 7.44 4.49 0.00 1.73 1.89 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.83 4.37 0.00 1.70 1.70 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 1.96 2.12 0.00 30 V 7.45 3.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.78 0.00 0.00 31 P 0.00 3.65 0.00 1.68 1.91 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 32 G 7.73 4.04 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 0.00 33 Y 7.59 4.70 0.00 2.12 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 34 V 5.98 3.57 1.29 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 0.86 0.00 0.00 -0.16 0.00 0.00 35 D 7.94 4.43 0.00 2.90 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 36 I 6.88 4.73 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.90 0.00 0.00 37 V 7.05 4.56 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 0.68 0.00 0.00 0.87 0.00 0.00 38 K 7.71 3.79 0.00 1.83 1.96 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.37 7.81 39 T 7.86 4.06 4.24 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 0.00 0.00 0.00 1.22 0.00 0.00 40 S 7.24 4.51 0.00 3.72 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 41 S 7.61 4.69 0.00 3.94 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 42 G 8.33 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 0.00 0.00 0.00 43 N 8.02 4.31 0.00 2.67 2.90 0.00 0.00 6.81 7.65 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 44 E 8.69 4.53 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 45 M 8.45 4.66 0.00 2.10 1.96 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 2.56 2.61 0.00 46 P 0.00 4.64 0.00 2.23 2.21 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 47 P 0.00 4.45 0.00 2.08 2.17 0.00 3.69 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 2.04 2.13 0.00 48 Q 8.11 4.20 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 49 D 8.09 4.41 0.00 2.64 2.87 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 50 A 8.34 4.00 1.51 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 0.00 0.00 51 E 7.87 3.47 0.00 2.12 2.25 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 2.24 2.32 0.00 52 G 7.69 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 53 W 6.43 4.31 0.00 3.37 3.24 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 0.00 0.00 0.00 0.00 54 F 6.80 3.79 0.00 1.51 2.44 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 55 Y 7.18 4.07 0.00 3.24 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 56 K 7.64 4.03 0.00 1.92 1.81 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.52 7.81 57 R 7.96 3.92 0.00 2.21 1.85 0.00 3.41 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 58 A 7.62 3.78 1.02 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 59 A 7.53 3.62 1.13 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 60 S 7.89 4.03 0.00 4.01 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 61 V 7.46 3.48 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 0.80 0.00 0.00 1.05 0.00 0.00 62 A 8.20 4.23 1.58 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 0.00 0.00 63 R 8.11 4.04 0.00 2.34 2.29 0.00 3.42 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 64 H 8.23 4.61 0.00 3.38 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.57 4.26 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.99 0.00 0.00 66 Y 7.71 3.96 0.00 3.01 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 67 M 8.16 4.34 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.68 0.00 68 R 7.68 4.28 0.00 1.80 1.92 0.00 3.37 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 69 K 8.70 4.87 0.00 1.85 1.99 0.00 1.55 0.00 0.00 2.61 0.00 0.00 2.69 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.24 1.43 7.81 70 Q 7.56 4.23 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 71 V 7.30 4.11 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 0.98 0.00 0.00 0.91 0.00 0.00 72 G 8.75 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 0.00 0.00 0.00 73 V 8.59 3.77 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 74 G 8.16 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 75 K 7.73 4.85 0.00 1.99 1.93 0.00 1.76 0.00 0.00 1.33 0.00 0.00 3.26 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.43 7.81 76 L 7.78 4.76 0.00 1.76 1.64 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.02 4.60 0.00 3.03 2.93 0.00 0.00 6.87 6.42 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 78 K 7.77 4.14 0.00 1.88 1.90 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.45 7.81 79 L 7.48 4.04 0.00 1.45 1.54 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.24 4.59 0.00 2.89 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 81 G 8.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.74 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.79 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 3.94 0.00 1.87 1.95 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 85 S 7.86 4.22 0.00 3.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 4.38 0.00 2.07 2.33 0.00 3.14 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 87 G 6.44 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 88 V 7.76 4.29 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 0.80 0.00 0.00 0.92 0.00 0.00 89 R 7.87 4.56 0.00 1.88 2.13 0.00 3.02 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 90 P 0.00 4.14 0.00 1.20 1.75 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 91 Y 7.57 4.30 0.00 3.06 3.04 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 92 K 7.85 4.30 0.00 1.90 1.89 0.00 1.50 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.53 7.81 93 H 8.60 4.20 0.00 3.15 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.11 4.05 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.97 0.88 0.00 0.00 95 D 8.20 4.93 0.00 2.92 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 96 A 8.54 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.62 4.21 0.00 4.06 4.12 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 98 G 7.95 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.04 4.44 0.00 3.80 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 0.00 100 I 7.47 4.13 2.17 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 1.76 1.34 1.16 0.00 0.00 101 N 8.00 4.53 0.00 2.91 2.95 0.00 0.00 7.35 7.53 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 0.00 102 R 8.05 3.99 0.00 2.01 2.01 0.00 3.19 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 103 K 7.81 4.21 0.00 2.20 2.23 0.00 1.55 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.71 7.81 104 V 7.80 3.36 1.69 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 0.72 0.00 0.00 0.05 0.00 0.00 105 L 7.74 4.20 0.00 1.71 1.77 0.94 0.73 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 0.00 106 Q 7.61 3.98 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 107 A 8.24 4.21 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.06 0.00 1.75 1.77 0.91 0.85 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 0.00 109 E 7.92 4.37 0.00 2.22 2.17 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 2.33 2.36 0.00 110 K 7.65 4.10 0.00 1.95 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.63 7.81 111 I 7.50 4.16 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.72 1.05 0.00 0.00 112 G 7.03 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 0.00 0.00 0.00 113 I 8.40 4.13 2.10 0.00 0.00 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 1.40 1.01 1.03 0.00 0.00 114 V 7.58 4.94 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 0.90 0.00 0.00 0.98 0.00 0.00 115 E 8.32 4.74 0.00 2.04 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 2.18 2.36 0.00 116 I 8.24 4.74 1.89 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 1.10 0.92 0.00 0.00 117 S 8.78 4.73 0.00 4.04 4.12 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 0.00 118 P 0.00 4.64 0.00 2.20 2.20 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 119 K 8.80 4.52 0.00 1.94 1.91 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.34 7.81 120 G 7.48 3.73 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 0.00 0.00 0.00 121 G 7.23 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 0.00 122 R 8.61 4.73 0.00 1.77 1.87 0.00 3.25 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 123 R 8.44 5.13 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 124 I 8.36 4.85 1.94 0.00 0.00 1.00 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 1.31 1.00 0.00 0.00 125 S 8.51 5.07 0.00 4.05 4.11 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 0.00 126 E 8.72 3.98 0.00 2.27 2.25 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 2.37 2.44 0.00 127 N 8.16 4.56 0.00 2.89 3.08 0.00 0.00 6.92 8.12 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 0.00 128 G 7.99 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 0.00 129 Q 7.98 4.22 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 130 R 7.66 3.82 0.00 1.99 1.93 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 131 D 7.59 4.26 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.58 3.70 0.00 1.65 1.22 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.23 4.28 0.00 2.55 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 0.00 134 R 7.54 3.87 0.00 1.83 1.83 0.00 3.00 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 135 I 7.59 3.88 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.90 0.00 0.00 136 A 7.87 4.14 1.08 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 0.00 137 A 7.68 3.90 1.31 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 0.00 0.00 138 Q 7.68 3.97 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 139 T 7.89 4.06 4.31 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 1.26 0.00 0.00 140 L 7.82 4.16 0.00 1.82 1.82 0.91 1.39 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 0.00 141 E 7.99 4.04 0.00 2.17 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 2.34 2.51 0.00 142 E 7.55 4.23 0.00 2.15 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 2.33 2.52 0.00 143 D 7.64 4.51 0.00 2.81 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 0.00 144 E 7.85 4.12 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00