NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3376 8.3349 115.4064 57.8316 64.3136 173.3195 0 H 4.0260 8.6141 120.6807 55.6467 29.0014 173.1641 1 M 5.0654 8.6156 123.8780 54.0869 37.0389 172.9053 2 R 5.2380 9.7829 125.9776 54.5776 33.7071 173.7862 3 V 4.9448 9.1528 126.0985 61.0612 34.7309 173.9150 4 A 4.8810 8.6713 129.9363 51.0441 20.1868 175.8407 5 M 5.0514 8.9452 122.8018 54.8677 34.3894 175.7063 6 I 4.8605 8.7248 123.1520 59.1979 40.1674 175.6702 7 S 4.8845 9.0718 123.1594 56.8178 61.3613 173.8541 8 M 3.3851 9.1648 126.1505 58.6250 32.4368 177.4616 9 H 4.4569 7.9713 110.4128 56.4906 29.4921 174.9298 10 T 4.3198 6.9207 113.5089 60.5614 70.6447 172.7048 11 S 4.3646 8.4536 124.3047 56.7380 63.0981 173.1344 12 P 4.3398 0.0000 0.0000 65.0231 31.1697 176.7028 13 L 4.3861 7.7555 118.7461 54.4749 41.4431 175.7746 14 Q 4.6429 7.3142 115.6318 54.2593 31.1346 175.1482 15 Q 4.1421 8.1628 116.2504 54.2374 31.1715 174.9438 *23 G 3.8942 8.0607 113.3210 45.5107 0.0000 173.8703 24 M 3.8481 8.0570 117.7449 57.6005 32.5338 178.0300 25 N 4.1458 8.0930 116.1083 56.5535 38.6935 177.2572 26 V 3.3548 7.6390 118.5775 65.9759 31.5758 177.0725 27 Y 3.2327 7.5848 119.1785 60.6190 38.6278 178.2395 28 I 3.7103 8.0409 120.8702 64.3887 37.2505 178.3312 29 L 3.8519 7.8651 121.1791 58.0626 42.0053 179.1777 30 S 3.8003 7.9173 115.7782 61.4636 62.5168 176.7479 31 T 3.8477 7.7454 112.5513 64.8159 68.4569 176.1398 32 A 4.0258 8.0749 124.3361 55.1927 18.3834 179.7573 33 T 3.7921 7.9673 113.9926 66.8338 68.0383 176.8069 34 E 4.0505 8.1697 120.1997 59.0868 29.6618 179.2545 35 L 4.0622 8.2621 119.1404 57.6805 41.6269 179.3023 36 A 4.8240 8.1845 122.2184 54.8132 18.1243 179.7321 37 K 3.8436 7.8155 115.6899 59.5602 32.1794 178.6127 38 Q 4.3075 7.4747 114.5054 55.9772 28.8845 176.8158 39 G 3.9151 8.1097 108.8203 45.2251 0.0000 173.2776 40 I 4.2058 7.5647 121.2587 60.4267 38.6493 174.9604 41 E 4.7050 9.0622 127.4709 55.9966 30.7775 175.7979 42 V 4.9464 9.0668 125.1601 61.1255 34.8499 173.7316 43 D 5.3670 9.1147 127.4964 52.7344 43.5838 175.0763 44 I 4.8147 8.5913 125.6924 60.2073 39.0669 174.4212 45 Y 4.8693 9.3695 125.9722 57.0693 39.6778 174.8740 46 T 5.1133 8.9947 117.7458 60.1923 71.7877 172.6171 47 R 4.6968 8.1111 125.6252 55.9926 30.8050 176.0264 48 A 4.0505 8.7822 129.3151 52.1753 18.2922 177.4204 49 T 4.4304 8.1662 109.5880 59.5782 70.4937 174.3341 50 R 4.5657 7.5024 120.4592 53.6752 32.2088 173.2533 51 P 4.4272 0.0000 0.0000 65.6726 31.5310 179.2169 52 S 4.2493 8.1051 110.7911 61.0437 62.9080 175.4110 53 Q 4.0003 8.4531 119.9913 56.4006 28.9580 177.5133 54 G 3.9286 7.7694 106.3067 45.0721 0.0000 172.2119 55 E 4.1187 8.7979 118.4170 58.8678 30.7133 177.4800 56 I 4.7250 7.7018 119.0310 59.4423 39.2938 174.8849 57 V 4.2021 8.6408 128.1775 60.9439 33.3556 174.8420 58 R 4.3390 8.6048 129.2517 55.8923 30.1730 175.6188 59 V 3.8745 8.5225 125.6968 64.6357 32.2898 175.3270 60 A 4.5099 7.4439 119.7412 50.4007 21.9556 174.4914 61 E 3.9640 8.5922 119.8603 58.3989 29.7426 177.1259 62 N 4.4697 9.1361 121.4534 53.1401 36.8810 172.8586 63 L 5.2308 8.1015 121.2920 53.2889 44.7088 175.3641 64 R 5.1744 8.8916 124.5005 54.3495 34.6756 174.3715 65 V 4.6084 8.5349 121.4371 61.1765 34.2609 174.2870 66 I 4.4722 8.4830 128.7560 59.5076 39.3133 174.2428 67 N 5.0799 8.8330 126.1259 52.0975 39.7099 174.7123 68 I 4.4823 8.7792 125.7075 59.1841 39.6548 174.9800 69 A 4.4892 8.7700 129.4855 51.8883 18.9311 177.5074 70 A 4.2873 8.7702 126.3131 52.3012 19.8542 176.0634 71 G 3.9924 8.5801 108.3502 44.2569 0.0000 169.2661 72 P 4.6076 0.0000 0.0000 62.6248 31.5821 176.4924 73 Y 4.4105 8.8281 117.7738 60.5387 38.0979 175.6061 74 E 4.5397 7.9269 115.3787 55.2376 32.7723 175.3251 75 G 3.8395 9.1130 106.7405 44.9835 0.0000 172.9317 76 L 4.5040 7.4102 121.4417 52.8050 43.1285 176.1006 77 S 4.4557 8.3044 121.0568 57.3051 63.9195 175.0499 78 K 3.9285 8.5992 121.3816 59.8279 31.5052 178.6311 79 E 4.1318 7.7743 117.1143 58.6198 29.8302 178.0379 80 E 4.4544 8.0271 116.3971 56.5287 29.9479 177.8175 81 L 3.9568 7.4610 119.9517 57.4300 41.6195 177.2270 82 P 4.2045 0.0000 0.0000 65.9955 31.0151 178.3410 83 T 4.0504 7.7694 106.8152 63.9111 68.6586 175.3819 84 Q 4.5712 7.9851 120.1799 55.5406 29.2291 177.0913 85 L 3.9787 7.8412 122.5672 58.0321 41.7248 179.3925 86 A 3.9772 7.9693 119.8498 54.9855 18.3494 179.3096 87 A 3.9693 7.9721 118.8892 55.3180 18.4498 179.5273 88 F 4.0996 8.6648 119.5504 61.5849 39.4888 177.5385 89 T 3.7094 7.9751 115.2848 66.5364 68.2248 176.7856 90 G 3.7128 8.5335 108.1183 47.7916 0.0000 175.9082 91 G 3.5848 8.3751 108.5474 47.6435 0.0000 175.5442 92 M 3.9806 7.9077 121.4547 58.2239 31.9590 178.8758 93 L 4.1386 7.8543 118.8143 58.0211 41.8233 179.7764 94 S 4.1850 8.3296 115.1989 61.4815 62.6634 176.5231 95 F 4.1905 8.4124 123.6198 61.6119 39.2296 177.2766 96 T 3.8628 8.3820 109.3750 64.8686 68.1922 176.6950 97 R 3.9085 7.9162 120.1078 59.1485 30.2288 178.8088 98 R 3.9813 7.7293 116.6448 59.0345 30.1483 178.2142 99 E 3.8782 7.9262 117.4294 55.5296 30.9664 175.8537 100 K 3.7636 7.7269 117.3867 57.4968 29.5460 175.4866 101 V 4.2131 7.2347 116.3251 59.7774 34.2260 175.7886 102 T 4.0617 7.9393 119.7160 61.6760 70.8298 173.0848 103 Y 4.5718 7.6276 123.1575 56.5814 40.2550 174.9856 104 D 4.8719 8.8515 121.2297 55.2396 42.8990 176.5368 105 L 4.5767 7.7318 118.2127 53.9186 45.9069 173.6404 106 I 4.9766 8.6621 125.1783 59.7719 40.1504 174.0682 107 H 5.4736 9.3858 127.5766 54.6203 31.7020 172.7085 108 S 5.3332 8.9992 121.3234 57.4652 65.6542 172.9785 109 H 5.0932 8.2893 117.6658 55.3440 31.8810 172.1555 110 Y 4.5456 9.7417 124.7173 57.6274 40.2830 169.8650 111 W 4.2592 7.9858 121.8639 59.7189 27.8905 178.5176 112 L 3.3054 6.4399 118.9924 57.6025 41.0206 179.5627 113 S 4.3163 7.9736 114.6220 61.3637 62.6972 176.8169 114 G 3.7713 8.1938 108.6138 47.6544 0.0000 175.7378 115 Q 4.2916 8.2447 120.4628 58.7653 28.8707 179.0710 116 V 3.7060 7.7468 118.9119 66.1698 31.5532 178.4362 117 G 3.6589 8.5011 105.7740 47.2158 0.0000 175.5097 118 W 4.2974 8.5812 131.0353 60.3145 30.8671 177.6590 119 L 3.6906 7.4513 119.3042 58.3057 41.4259 179.0736 120 L 3.4078 7.5706 118.5015 57.3316 41.4283 179.6619 121 R 4.0370 8.3006 116.5639 59.3738 29.1077 178.7430 122 D 4.3803 7.6418 118.7053 57.0504 40.8978 178.1552 123 L 4.0162 7.4098 119.2407 57.5112 42.1975 178.2768 124 W 4.8617 8.1964 116.1226 55.7494 30.4976 176.1062 125 R 3.9579 8.1726 117.5867 57.4661 27.4446 175.2756 126 I 4.8769 7.3597 108.3177 58.2857 41.5939 174.7890 127 P 4.6750 0.0000 0.0000 62.6575 33.0586 175.0569 128 L 4.9535 9.5599 125.7137 53.7977 43.8496 174.9669 129 I 4.8852 8.9108 128.1752 59.9959 39.6293 174.3437 130 H 5.3352 9.1887 126.0772 54.6643 33.3729 171.8729 131 T 5.0405 8.7031 121.7600 60.9682 70.4247 175.0723 132 A 3.8807 8.5906 128.7213 53.9455 19.3231 178.3487 133 H 4.2147 8.5318 115.9852 56.4063 27.1971 174.9170 134 T 4.8922 7.8028 105.5646 59.1616 72.0075 173.3740 135 L 5.0568 8.4043 121.9633 50.9144 46.2277 177.4892 136 A 3.9594 9.4336 125.7193 55.5047 18.1728 180.0930 137 A 3.8506 8.0691 117.8243 54.5868 18.3823 179.5784 138 V 3.7742 7.5212 115.7723 65.5476 32.0317 177.8390 139 K 4.1368 8.2179 117.4295 59.7399 32.3237 176.6094 140 N 4.9027 7.9328 115.1293 52.9590 40.9634 173.7852 141 S 4.5399 7.7526 109.6780 58.4335 65.0241 176.7364 142 Y 4.3005 8.4568 127.0915 57.2711 36.0263 174.4214 *147 D 4.4421 7.6558 121.8441 52.9656 41.1623 175.8292 148 T 4.7225 9.0416 110.7165 58.5013 73.4136 172.8717 149 P 4.1850 0.0000 0.0000 65.9911 31.2153 178.4437 150 E 4.1448 8.1178 115.5396 58.7839 29.9531 178.8871 151 S 4.0495 7.9112 115.0674 61.1208 63.0479 176.1656 152 E 3.8137 8.3876 122.8619 58.9460 29.5316 178.5950 153 A 3.9188 7.9354 120.8321 55.1317 18.3465 179.5667 154 R 2.5100 7.5736 117.1568 58.9173 29.9882 178.6707 155 R 3.8259 7.7858 118.4529 59.5397 30.0402 178.3733 156 I 3.7315 7.6497 119.4983 64.7795 37.1937 178.2497 157 C 4.5013 7.7084 118.2235 62.3378 27.4491 175.9694 158 E 3.8460 8.2227 120.4858 59.3146 28.8805 179.1796 159 Q 4.1134 8.6698 120.0347 59.2982 28.7962 178.2793 160 Q 3.7958 8.2115 119.1601 58.9179 28.6439 178.9560 161 L 3.5891 7.5654 119.6257 57.4314 41.3805 179.4033 162 V 3.4498 7.4904 117.4832 66.1480 31.4971 177.2497 163 D 4.5221 7.5903 115.4972 55.2640 40.9916 176.7697 164 N 4.6085 7.2003 114.5967 53.7603 41.0320 175.2947 165 A 4.0806 7.7040 120.0702 52.2311 19.0509 177.1412 166 D 4.5843 8.6429 120.7095 56.7857 41.7596 177.3105 167 V 4.5576 8.0187 117.1765 61.0104 35.5425 174.5960 168 L 4.9958 9.1522 127.8049 53.1202 43.1844 175.1008 169 A 4.9570 8.6786 127.2938 51.2031 20.0584 176.5420 170 V 4.4721 8.6362 115.3735 59.4955 35.4696 176.9787 171 N 4.5133 9.8523 120.3592 55.6311 38.9278 175.9977 172 T 4.6690 7.3468 106.6349 59.2570 73.1852 174.5539 173 Q 3.9834 8.5498 119.7367 58.9328 28.5835 178.5365 174 E 3.9178 8.1714 119.9359 59.3946 29.6935 178.3957 175 E 3.9624 8.1185 118.8697 59.2764 29.6178 178.3569 176 M 3.9929 7.9082 118.1813 58.8541 32.3096 178.2593 177 Q 3.9074 8.3518 118.3599 59.0517 28.8643 178.4579 178 D 4.5169 8.5163 120.2874 57.5152 40.8793 178.9894 179 L 4.2347 8.2146 119.4755 57.9998 41.4716 179.4623 180 M 4.0729 8.2267 118.7605 58.6270 31.6642 178.6238 181 H 4.2541 8.3093 115.4462 59.3244 29.0714 177.1887 182 H 4.4580 8.1684 115.9240 57.1431 28.9161 175.7612 183 Y 4.9104 7.5755 113.6922 55.6443 39.2315 174.4779 184 D 4.5941 8.5258 116.9375 53.6502 39.8072 173.4237 185 A 4.0621 7.8577 119.5052 51.5877 19.2136 177.7299 186 D 4.4692 8.5779 122.1100 53.1157 41.7956 175.4131 187 P 4.2497 0.0000 0.0000 65.7020 31.4058 177.7342 188 D 4.5392 8.3820 117.4936 56.0410 40.9572 176.7211 189 R 4.5224 8.1539 117.8532 55.9426 31.6302 175.4402 190 I 4.8766 7.4655 120.9296 59.7838 38.7815 175.2981 191 S 4.7668 8.7686 122.7858 56.5527 66.0745 173.4381 192 V 4.2383 8.4093 124.5434 62.3283 32.1098 175.2676 193 V 4.2060 9.1958 129.6823 61.0070 33.5128 174.3009 194 S 4.4108 8.3035 124.5798 56.6557 62.5022 172.4568 195 P 3.7818 0.0000 0.0000 62.1057 31.7781 176.1726 196 G 2.8202 4.0000 109.0945 43.9889 0.0000 173.4764 197 A 3.9674 8.2181 123.3830 52.0653 18.7491 178.5250 198 D 4.7904 8.8568 121.3855 54.5924 40.5283 177.1237 199 V 4.1286 8.2942 118.6034 62.3249 32.0683 177.2402 200 E 4.1149 8.1575 119.1733 58.9966 29.8590 177.6976 201 L 4.1862 7.8476 118.8121 57.3710 42.6534 176.9502 202 Y 4.5446 7.9245 121.7780 56.8760 36.7511 174.5762 203 S 5.1882 8.2548 117.2247 55.4682 66.1484 173.1343 204 P 4.5184 0.0000 0.0000 63.2696 32.9174 179.1131 205 G 3.5741 8.5504 109.2421 46.5054 0.0000 174.0353 *210 T 4.3409 8.8471 117.0440 61.9219 70.4220 174.5810 211 E 3.9362 8.1665 121.2002 59.4000 29.6872 178.8039 212 R 3.9802 7.9850 117.6047 59.3001 29.8548 179.1140 213 S 4.1257 7.9962 114.5098 61.7809 63.0003 176.8183 214 R 4.1048 7.9071 119.9591 58.7726 29.3523 179.4193 215 R 3.9678 7.9091 118.0354 59.1290 29.9400 178.4769 216 E 3.9547 8.1754 117.3312 59.2029 29.5230 178.0780 217 L 4.3470 7.8767 115.4045 53.9461 42.1688 176.7585 218 G 3.8083 7.6166 106.3283 46.5504 0.0000 173.8111 219 I 4.1043 7.7727 121.6032 58.9144 37.4269 174.2162 220 P 4.7255 0.0000 0.0000 61.8988 31.2655 173.6637 221 L 5.1000 7.7730 135.0000 56.2481 43.3017 174.6210 222 H 4.4433 8.2663 112.9558 57.5971 29.1160 175.5181 223 T 3.9794 7.4045 114.5673 61.9517 68.2571 173.4602 224 K 4.7604 8.3525 125.8868 55.6029 33.7839 176.1032 225 V 4.9588 9.1415 124.7488 59.8474 34.3848 174.5165 226 V 4.8712 8.5883 123.7869 61.1652 33.7141 174.0599 227 A 5.3150 9.1128 129.7579 50.1221 22.0881 174.7144 228 F 5.1063 9.0977 122.9318 56.2884 42.5243 174.1524 229 V 5.4463 8.2379 124.5128 58.7497 33.8584 175.1341 230 G 4.1065 8.5938 115.4312 44.0034 0.0000 171.5076 231 R 4.2093 8.0527 119.2029 56.6552 30.4940 178.4235 232 L 4.3541 8.3180 124.9509 53.3428 40.3151 175.9247 233 Q 4.8811 7.6697 118.9108 53.1024 32.5117 175.4365 234 P 4.5969 0.0000 0.0000 65.4610 31.3997 177.9957 235 F 4.4563 8.3969 115.7099 58.7393 38.9680 176.2330 236 K 4.4236 8.4453 119.6325 55.5964 32.5960 176.6194 237 G 4.1750 8.5831 107.3937 45.1420 0.0000 174.4733 238 P 3.4113 0.0000 0.0000 64.9256 30.9316 177.1708 239 Q 4.0340 7.9214 117.2680 59.1031 28.2961 178.6676 240 V 3.4634 7.3400 120.0741 65.5854 31.5527 177.5725 241 L 3.7813 7.5073 119.3492 58.3208 41.9185 178.7581 242 I 3.7075 7.4767 119.3796 64.5170 37.0747 178.6766 243 K 4.0478 8.2315 118.9959 59.1556 31.7849 179.3245 244 A 4.1762 8.2648 121.5019 55.2797 18.4062 179.9046 245 V 3.4973 8.4440 116.9184 65.8295 31.4945 178.1507 246 A 4.1089 8.2676 120.4750 55.1300 18.3087 179.3307 247 A 4.1152 8.1069 119.2613 55.3634 18.5699 179.6540 248 L 3.8173 8.0408 117.4814 58.2528 41.5137 179.9713 249 F 4.5868 7.8367 115.5516 60.1774 38.8612 177.2536 250 D 4.5820 8.2512 118.5585 57.5269 40.6881 178.6485 251 R 4.3295 7.7124 117.4891 58.1169 31.1545 176.7090 252 D 4.6531 8.1071 118.2980 51.7676 42.0631 173.0595 253 P 4.4938 0.0000 0.0000 65.1003 31.6554 176.9542 254 D 4.8728 8.0996 115.5460 53.9325 41.1488 176.4765 255 R 4.1199 8.3322 120.7590 56.2563 30.2108 177.3687 256 N 4.2697 8.4536 120.8448 54.5464 38.2859 173.5865 257 L 5.0888 8.0191 121.4148 53.4656 44.1071 175.8188 258 R 5.0496 8.9465 123.2959 54.4099 34.7169 174.3354 259 V 5.0617 8.9925 121.5581 61.0025 34.8744 174.1512 260 I 4.7947 8.7342 121.0390 59.0922 40.2618 174.2237 261 I 4.8456 8.8608 127.6821 59.5088 40.0628 174.2609 262 C 5.0393 10.2293 127.9611 58.7988 34.2581 173.3714 263 G 4.4845 8.1972 113.9507 45.8950 0.0000 171.4179 264 G 4.0504 8.3643 107.7725 45.2350 0.0000 172.0408 265 P 4.7672 0.0000 0.0000 62.5878 32.2600 176.1930 266 S 4.2798 8.5085 113.3220 60.3323 62.5523 173.8289 *273 D 4.3462 7.6398 119.2722 52.5102 39.5108 175.3989 274 T 3.5934 7.8503 124.7819 67.9891 68.6931 174.8113 275 Y 4.1846 7.3463 117.3954 60.4944 38.0009 177.9390 276 R 3.8046 7.2616 119.2896 59.7242 30.2064 178.0730 277 H 4.0486 7.7880 115.3182 58.9249 28.6721 177.4321 278 M 3.9824 8.3711 120.0404 58.7515 32.1238 178.1703 279 A 4.1167 8.6289 121.1963 55.1741 18.6033 179.5615 280 E 4.2939 8.4572 118.9358 59.0686 29.3565 178.9611 281 E 3.9755 8.3295 118.5877 59.0189 29.7712 177.9946 282 L 4.4692 7.7780 115.8093 53.9044 42.0224 176.8527 283 G 3.8969 7.8335 106.4709 47.0127 0.0000 174.8214 284 V 4.3574 7.9303 110.0737 60.3242 32.8892 177.7408 285 E 4.1209 8.2058 120.7337 59.1427 29.5216 179.2913 286 K 4.0090 7.9512 117.9788 58.5885 32.5503 177.7937 287 R 4.2908 7.8773 116.4796 56.3096 30.7054 175.4770 288 I 4.8609 7.4954 118.7492 59.2250 39.6348 174.8370 289 R 4.5850 9.0728 126.9804 54.4508 33.1150 174.2036 290 F 5.1330 8.8374 124.2674 56.1286 40.3694 174.9316 291 L 4.7816 9.2066 124.9753 52.7640 43.7969 176.1557 292 D 4.6825 8.7943 123.3590 53.6630 41.4136 174.6660 293 P 4.6382 0.0000 0.0000 63.4025 31.9470 175.3804 294 R 4.7004 8.2157 115.8321 52.9421 32.7553 173.3964 295 P 4.5040 0.0000 0.0000 61.8737 32.8060 175.6981 296 P 4.5486 0.0000 0.0000 65.3323 30.9441 178.9458 297 S 4.0967 8.0869 112.5419 61.9570 62.5570 176.2439 298 E 4.1924 8.1288 120.1572 58.7756 29.3418 178.6662 299 L 4.0290 7.9237 120.3218 57.4420 41.9742 178.9388 300 V 3.9574 7.6357 117.9053 66.2444 31.4320 177.6368 301 A 4.1293 7.9893 120.8460 54.4999 18.2668 180.0072 302 V 3.5261 7.6680 117.0486 65.1537 31.3288 178.0109 303 Y 4.2906 7.2861 116.2162 60.9061 37.8388 178.6091 304 R 4.1322 8.3139 117.6635 59.3000 30.2617 178.8217 305 A 4.0976 8.4939 119.6183 53.7426 18.7392 177.9174 306 A 4.2572 7.1396 119.4243 52.3290 19.2543 177.0198 307 D 4.7396 8.7662 121.1578 56.0160 42.1697 177.4008 308 I 4.8724 7.5704 117.4719 59.5003 41.9961 174.3311 309 V 4.8696 8.7229 125.6225 61.2355 33.5758 174.0162 310 A 5.1999 8.7431 130.0693 50.4328 20.6504 177.3274 311 V 4.3471 9.2379 123.2639 59.7218 31.3953 173.8778 312 P 4.4224 0.0000 0.0000 61.8643 31.7399 177.5187 313 S 4.5114 7.7789 113.6950 59.8382 63.8567 175.0103 314 F 4.4460 9.1515 123.0212 59.0395 39.3705 176.3608 315 N 5.1960 8.0851 115.9275 51.6621 41.5944 174.5860 316 E 4.7592 8.4526 120.4356 55.2007 30.8939 175.0731 317 S 4.2680 8.7098 120.4302 60.6414 63.4894 175.0974 318 F 4.5454 8.2028 118.1319 59.0505 41.3172 175.8788 319 G 3.6843 8.1692 107.0657 46.7788 0.0000 175.4891 320 L 3.8797 8.1928 122.2288 57.7842 42.3549 177.4444 321 V 3.4684 7.7957 117.5130 65.9215 31.3539 177.4315 322 A 3.8614 7.8739 119.8107 55.6018 18.1424 179.1817 323 M 3.8416 7.7989 116.4632 58.6374 32.2944 178.2807 324 E 3.4563 8.2149 119.0009 58.9468 29.4301 179.1024 325 A 3.2061 7.4779 121.0495 54.9478 18.1114 179.7216 326 Q 4.0049 8.2416 117.6588 58.5644 28.7911 178.7176 327 A 4.0868 8.0728 121.9605 55.4288 18.1130 179.3487 328 S 4.5545 7.8883 111.5332 59.2642 62.6770 175.4979 329 G 4.1161 8.3007 110.2408 45.9857 0.0000 173.0431 330 T 4.7314 7.8770 116.6248 60.3939 71.2047 172.5068 331 P 4.7126 0.0000 0.0000 62.7885 33.2077 175.1275 332 V 4.8840 8.1400 121.0798 61.2879 34.5767 174.1933 333 I 4.7928 8.8213 128.8317 59.9485 38.7120 174.5999 334 A 5.5427 8.7414 128.4839 49.6156 22.6117 175.0211 335 A 4.4712 8.8238 122.1757 51.6881 19.1157 179.0006 336 R 4.3220 8.4174 123.3408 55.5055 27.5879 176.1408 337 V 4.5924 7.2069 114.4193 60.3229 37.3494 176.8667 338 G 3.7246 8.3790 111.7482 47.3316 0.0000 175.2029 339 G 3.8759 9.4857 115.0243 45.6688 0.0000 175.1895 340 L 3.9654 8.1502 121.6526 57.1914 41.4460 177.2701 341 P 4.3741 0.0000 0.0000 64.4896 31.2862 177.8572 342 I 4.1382 7.5221 117.6407 63.5493 37.8172 177.3269 343 A 4.1216 7.8803 120.5952 52.9946 18.3707 177.7219 344 V 4.2434 7.5112 116.0488 59.9675 33.3974 175.3186 345 A 4.0457 8.0403 130.7029 50.8873 17.4701 175.9192 346 E 3.9868 8.4944 123.0534 58.4382 30.0494 178.3476 347 G 4.0578 8.8349 113.6655 45.9567 0.0000 173.4725 348 E 4.4285 7.8210 117.1831 57.4612 31.3912 177.5430 349 T 4.7262 8.9513 105.8346 60.0840 70.0710 174.1436 350 G 3.9710 6.5540 108.4802 46.2103 0.0000 171.1132 351 L 5.0447 7.6609 118.2503 52.7802 45.8721 175.7110 352 L 5.0443 8.2764 120.1521 52.9808 44.4168 175.9675 353 V 4.0097 8.6125 123.7071 61.0753 33.7621 174.1095 354 D 4.6439 8.5177 127.6494 54.5383 41.5532 177.8214 355 G 3.9245 8.8404 113.9055 45.4700 0.0000 173.3523 356 H 5.0842 8.6874 118.7338 54.5865 31.0576 174.1858 357 S 4.3868 8.1951 115.8722 57.9072 64.7165 173.1871 358 P 4.3419 0.0000 0.0000 66.1775 31.0278 178.7572 359 H 4.3527 8.0967 114.4229 58.6363 28.8063 177.3545 360 A 3.9574 8.0698 122.4840 54.9296 18.0543 179.7717 361 W 3.7599 8.2112 116.8053 59.5045 29.1890 178.6431 362 A 4.0100 8.6005 121.2130 55.2698 17.8290 179.2292 363 D 4.2563 8.2663 117.1218 57.6317 40.8089 179.1399 364 A 3.8696 7.8243 120.9889 54.9238 18.2366 179.5874 365 L 3.9109 8.2021 117.5930 58.0481 41.7905 179.6694 366 A 3.9402 8.1465 120.6792 55.3521 18.3166 179.6682 367 T 3.7784 7.9012 114.2201 66.9668 68.3370 176.7276 368 L 4.1685 7.4416 119.3621 57.4136 41.8146 179.0969 369 L 4.1161 8.0749 118.7378 57.5475 41.6405 178.5667 370 D 4.7533 8.0642 116.8799 54.2905 42.2429 176.3920 371 D 4.7806 7.3107 118.8432 51.8360 40.8597 175.7920 372 D 4.3607 8.4192 124.6739 56.8111 41.0834 177.5689 373 E 3.9018 8.0780 119.0818 59.7188 29.6879 178.9004 374 T 3.8348 8.0410 115.5916 66.4625 68.5088 176.6326 375 R 3.8427 7.9423 120.6421 59.6401 30.1239 178.6867 376 I 3.7191 7.8749 119.5047 64.2870 37.0083 178.3441 377 R 4.0435 7.9596 119.6085 59.7010 29.8318 178.5280 378 M 4.4784 7.7950 120.0834 57.8458 32.0507 178.6874 379 G 3.7647 8.0937 105.8509 48.0849 0.0000 175.5359 380 E 3.9638 8.1292 120.7565 59.3163 29.6893 179.1945 381 D 4.3071 8.3535 118.8513 57.1804 40.8125 178.4671 382 A 3.9565 8.3816 121.8190 55.2868 18.2176 180.2243 383 V 3.6481 7.4751 110.5618 64.6448 31.6996 178.4243 384 E 3.9438 8.0736 118.5910 59.3690 29.5305 177.8501 385 H 3.7606 8.0371 117.6959 59.1873 29.7953 177.0658 386 A 3.9088 8.0420 122.2010 55.3737 18.1188 179.9224 387 R 4.0198 7.9174 114.7001 58.9480 30.0789 178.6660 388 T 4.4020 7.8857 114.6436 65.0925 69.2251 176.1350 389 F 4.6457 8.2816 117.5699 57.7896 39.0323 178.0060 390 S 4.0713 8.3181 113.9670 60.9015 62.2266 175.3101 391 W 4.3012 8.2477 119.1516 57.5879 29.1124 178.0704 392 A 3.9580 7.6300 120.7342 55.1850 17.8601 179.5687 393 A 3.9440 7.8518 118.7821 55.3721 18.4498 179.7887 394 T 4.0318 7.5735 110.8874 66.9962 68.5197 176.7776 395 A 4.0293 8.5264 122.6670 54.7770 18.3872 179.5758 396 A 3.9015 8.1859 119.8712 55.4323 18.4479 179.9222 397 Q 3.9855 8.2538 116.1314 59.1679 28.5282 178.7497 398 L 3.6241 7.8176 121.1049 57.5253 41.6153 179.2462 399 S 3.9083 8.0134 113.2170 61.3864 62.2931 176.3297 400 S 4.1099 7.8848 117.5849 61.4751 62.5242 176.3310 401 L 3.9632 8.1124 123.2144 58.5462 41.8632 178.5152 402 Y 4.4231 8.6010 117.1521 61.3589 37.7357 178.6389 403 N 4.4254 8.4620 117.2158 56.5318 38.7140 177.2284 404 D 4.3700 8.3466 120.0626 57.2831 40.6651 178.7299 405 A 4.0521 8.1963 120.6280 55.2989 18.7764 179.5078 406 I 3.8502 7.9907 118.1095 64.4778 36.9833 178.5615 407 A 4.1376 8.3060 120.9397 54.2877 18.1593 178.4602 408 N 4.9016 7.7417 112.8756 51.9107 39.7160 174.8260 409 E 4.1116 7.3536 118.9426 56.9240 30.5591 177.5090 410 N 4.8488 8.3583 119.9679 52.5018 39.3825 174.8973 411 V 4.2426 7.5478 118.6508 61.4670 32.3388 174.6192 412 D 4.4998 8.7300 127.5010 53.5674 40.1303 178.4604 413 G 3.7827 8.4103 107.0384 45.4550 0.0000 173.5934 414 E 4.3952 7.7855 117.4090 57.3383 31.0611 176.5131 415 T 4.1957 8.3955 116.4270 62.7737 68.9064 174.1779 416 H 4.7293 8.4588 126.7674 55.7012 31.0443 172.6506 417 H 4.7707 9.3774 127.0081 54.4969 27.3207 176.1936 418 G 4.0547 8.4385 111.4994 45.6539 0.0000 171.2682 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 S 8.33 4.34 0.00 4.00 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 H 8.61 4.03 0.00 3.26 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.62 5.07 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 2 R 9.78 5.24 0.00 1.80 1.64 0.00 2.64 0.00 0.00 2.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 3 V 9.15 4.94 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 0.86 0.00 0.00 0.84 0.00 0.00 4 A 8.67 4.88 0.59 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 5 M 8.95 5.05 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 6 I 8.72 4.86 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.48 1.13 0.00 0.00 7 S 9.07 4.88 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 9.16 3.39 0.00 1.65 1.26 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.95 0.00 9 H 7.97 4.46 0.00 3.19 3.24 0.00 5.57 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 10 T 6.92 4.32 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 0.77 0.00 0.00 11 S 8.45 4.36 0.00 3.75 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 12 P 0.00 4.34 0.00 2.14 2.09 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 13 L 7.76 4.39 0.00 1.59 1.68 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.31 4.64 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 15 Q 8.16 4.14 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 *23 G 8.06 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.06 3.85 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.22 0.00 25 N 8.09 4.15 0.00 2.68 2.80 0.00 0.00 6.76 7.68 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 26 V 7.64 3.35 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 0.93 0.00 0.00 0.88 0.00 0.00 27 Y 7.58 3.23 0.00 3.23 3.05 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 0.00 0.00 0.00 28 I 8.04 3.71 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.39 0.84 0.00 0.00 29 L 7.87 3.85 0.00 1.70 1.54 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.92 3.80 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.75 3.85 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 32 A 8.07 4.03 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 33 T 7.97 3.79 4.32 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 1.18 0.00 0.00 34 E 8.17 4.05 0.00 2.06 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 2.56 2.71 0.00 35 L 8.26 4.06 0.00 1.97 1.82 1.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.18 4.82 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 37 K 7.82 3.84 0.00 1.96 1.87 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.72 7.81 38 Q 7.47 4.31 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.83 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 39 G 8.11 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 40 I 7.56 4.21 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 1.10 0.00 0.00 41 E 9.06 4.70 0.00 1.98 1.92 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 2.46 2.28 0.00 42 V 9.07 4.95 2.14 0.00 0.00 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 1.04 0.00 0.00 43 D 9.11 5.37 0.00 2.93 2.42 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 44 I 8.59 4.81 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.92 0.00 0.00 45 Y 9.37 4.87 0.00 2.90 2.97 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 46 T 8.99 5.11 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 1.17 0.00 0.00 47 R 8.11 4.70 0.00 1.81 1.65 0.00 3.48 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 48 A 8.78 4.05 0.66 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 0.00 0.00 49 T 8.17 4.43 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 1.14 0.00 0.00 50 R 7.50 4.57 0.00 1.83 1.89 0.00 3.15 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 51 P 0.00 4.43 0.00 2.18 2.08 0.00 3.72 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 52 S 8.11 4.25 0.00 3.99 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 53 Q 8.45 4.00 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 54 G 7.77 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 55 E 8.80 4.12 0.00 2.14 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 2.50 0.00 56 I 7.70 4.72 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 0.94 0.00 0.00 57 V 8.64 4.20 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 0.98 0.00 0.00 0.93 0.00 0.00 58 R 8.60 4.34 0.00 1.79 1.84 0.00 3.53 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 59 V 8.52 3.87 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 0.78 0.00 0.00 0.95 0.00 0.00 60 A 7.44 4.51 1.22 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 0.00 0.00 61 E 8.59 3.96 0.00 1.94 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 2.31 2.36 0.00 62 N 9.14 4.47 0.00 3.00 3.16 0.00 0.00 6.54 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.10 5.23 0.00 1.73 1.48 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.89 5.17 0.00 1.94 1.70 0.00 3.17 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 65 V 8.53 4.61 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 0.94 0.00 0.00 0.86 0.00 0.00 66 I 8.48 4.47 0.68 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.36 -0.42 0.00 0.00 67 N 8.83 5.08 0.00 2.64 2.66 0.00 0.00 6.95 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 68 I 8.78 4.48 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.81 0.00 0.00 69 A 8.77 4.49 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 0.00 0.00 70 A 8.77 4.29 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 0.00 0.00 71 G 8.58 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 0.00 0.00 0.00 72 P 0.00 4.61 0.00 2.47 2.12 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 73 Y 8.83 4.41 0.00 2.99 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 74 E 7.93 4.54 0.00 2.03 1.90 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 2.23 2.32 0.00 75 G 9.11 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 76 L 7.41 4.50 0.00 1.58 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.30 4.46 0.00 4.06 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 78 K 8.60 3.93 0.00 1.85 1.90 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.62 1.56 7.81 79 E 7.77 4.13 0.00 2.11 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 2.40 2.47 0.00 80 E 8.03 4.45 0.00 2.10 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 2.29 2.40 0.00 81 L 7.46 3.96 0.00 1.78 1.59 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.20 0.00 2.24 2.27 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 83 T 7.77 4.05 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 1.28 0.00 0.00 84 Q 7.99 4.57 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.63 0.00 85 L 7.84 3.98 0.00 1.82 1.73 0.98 1.01 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 86 A 7.97 3.98 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 87 A 7.97 3.97 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 0.00 0.00 88 F 8.66 4.10 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.98 3.71 4.30 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 1.03 0.00 0.00 90 G 8.53 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.38 3.58 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 0.00 92 M 7.91 3.98 0.00 1.60 1.90 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.03 0.00 93 L 7.85 4.14 0.00 1.91 1.73 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.33 4.19 0.00 4.04 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 95 F 8.41 4.19 0.00 3.28 3.46 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 96 T 8.38 3.86 4.57 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 1.75 0.00 0.00 97 R 7.92 3.91 0.00 1.96 2.03 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 98 R 7.73 3.98 0.00 1.79 1.91 0.00 3.17 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 1.65 1.81 0.00 99 E 7.93 3.88 0.00 1.16 1.40 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 0.00 2.04 2.19 0.00 100 K 7.73 3.76 0.00 1.87 1.75 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.38 7.81 101 V 7.23 4.21 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 0.85 0.00 0.00 0.44 0.00 0.00 102 T 7.94 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 103 Y 7.63 4.57 0.00 2.65 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.87 0.00 2.62 2.72 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 0.00 105 L 7.73 4.58 0.00 1.62 1.29 0.81 0.35 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 0.00 106 I 8.66 4.98 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.95 0.00 0.00 107 H 9.39 5.47 0.00 3.13 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 9.00 5.33 0.00 4.12 4.05 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 0.00 0.00 0.00 109 H 8.29 5.09 0.00 3.06 3.30 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 9.74 4.55 0.00 3.14 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 0.00 111 W 7.99 4.26 0.00 3.55 3.07 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 0.00 112 L 6.44 3.31 0.00 1.27 1.32 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.97 4.32 0.00 4.25 4.09 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 0.00 0.00 0.00 114 G 8.19 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 0.00 115 Q 8.24 4.29 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.79 2.80 0.00 116 V 7.75 3.71 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.09 0.00 0.00 117 G 8.50 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.68 1.69 0.00 126 I 7.36 4.88 2.16 0.00 0.00 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 1.64 0.84 1.14 0.00 0.00 127 P 0.00 4.68 0.00 2.12 2.04 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 128 L 9.56 4.95 0.00 1.77 1.56 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.91 4.89 1.76 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 1.06 0.95 0.86 0.00 0.00 130 H 9.19 5.34 0.00 3.19 3.07 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.70 5.04 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 0.70 0.00 0.00 132 A 8.59 3.88 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 0.00 133 H 8.53 4.21 0.00 3.44 3.48 0.00 5.65 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 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7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 155 R 7.79 3.83 0.00 1.93 1.96 0.00 3.03 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 156 I 7.65 3.73 2.00 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 1.51 0.41 0.93 0.00 0.00 157 C 7.71 4.50 0.00 2.91 3.21 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 0.00 158 E 8.22 3.85 0.00 2.05 1.55 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 2.19 2.14 0.00 159 Q 8.67 4.11 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 160 Q 8.21 3.80 0.00 2.25 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 161 L 7.57 3.59 0.00 1.64 1.41 0.83 0.56 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 0.00 162 V 7.49 3.45 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.72 0.00 0.00 163 D 7.59 4.52 0.00 2.67 2.59 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 0.00 164 N 7.20 4.61 0.00 1.49 2.13 0.00 0.00 6.91 7.66 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 0.00 165 A 7.70 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.64 4.58 0.00 2.73 2.76 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 0.00 167 V 8.02 4.56 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 1.12 0.00 0.00 0.96 0.00 0.00 168 L 9.15 5.00 0.00 1.54 1.55 0.86 0.62 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 0.00 169 A 8.68 4.96 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 0.00 170 V 8.64 4.47 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 0.85 0.00 0.00 1.03 0.00 0.00 171 N 9.85 4.51 0.00 2.67 2.90 0.00 0.00 6.73 7.37 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 0.00 172 T 7.35 4.67 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 1.21 0.00 0.00 173 Q 8.55 3.98 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 174 E 8.17 3.92 0.00 2.05 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 2.42 2.41 0.00 175 E 8.12 3.96 0.00 2.13 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 2.32 2.34 0.00 176 M 7.91 3.99 0.00 2.31 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 177 Q 8.35 3.91 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 178 D 8.52 4.52 0.00 2.93 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 0.00 179 L 8.21 4.23 0.00 2.04 1.73 0.76 0.75 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 0.00 180 M 8.23 4.07 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.71 0.00 181 H 8.31 4.25 0.00 2.93 3.12 0.00 5.66 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 0.00 182 H 8.17 4.46 0.00 3.25 2.85 0.00 5.59 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 7.58 4.91 0.00 3.06 2.92 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 0.00 184 D 8.53 4.59 0.00 2.75 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 0.00 185 A 7.86 4.06 1.25 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 0.00 0.00 0.00 186 D 8.58 4.47 0.00 2.67 2.55 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 0.00 187 P 0.00 4.25 0.00 2.24 2.28 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 188 D 8.38 4.54 0.00 2.81 2.76 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 0.00 189 R 8.15 4.52 0.00 1.91 1.91 0.00 3.07 0.00 0.00 3.13 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 190 I 7.47 4.88 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.90 0.00 0.00 191 S 8.77 4.77 0.00 3.75 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 0.00 192 V 8.41 4.24 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 0.70 0.00 0.00 0.91 0.00 0.00 193 V 9.20 4.21 2.18 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 0.92 0.00 0.00 0.95 0.00 0.00 194 S 8.30 4.41 0.00 3.35 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 0.00 195 P 0.00 3.78 0.00 2.08 2.30 0.00 3.60 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 1.89 2.03 0.00 196 G 4.00 2.82 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 0.00 0.00 0.00 0.00 0.00 0.00 197 A 8.22 3.97 1.19 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 0.00 0.00 198 D 8.86 4.79 0.00 2.94 2.83 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 0.00 0.00 0.00 199 V 8.29 4.13 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 1.01 0.00 0.00 1.03 0.00 0.00 200 E 8.16 4.11 0.00 1.99 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 0.00 2.28 2.36 0.00 201 L 7.85 4.19 0.00 1.54 1.37 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 202 Y 7.92 4.54 0.00 3.23 2.99 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 0.00 203 S 8.25 5.19 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 4.52 0.00 2.22 2.33 0.00 3.44 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 205 G 8.55 3.57 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 0.00 *210 T 8.85 4.34 4.27 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 1.23 0.00 0.00 211 E 8.17 3.94 0.00 2.08 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 2.38 2.41 0.00 212 R 7.98 3.98 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 213 S 8.00 4.13 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 0.00 214 R 7.91 4.10 0.00 1.99 2.25 0.00 3.12 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 215 R 7.91 3.97 0.00 2.01 1.97 0.00 3.31 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 216 E 8.18 3.95 0.00 2.15 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 2.36 2.49 0.00 217 L 7.88 4.35 0.00 1.65 1.70 0.97 0.98 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 0.00 218 G 7.62 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 I 7.77 4.10 1.87 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 1.35 0.63 0.90 0.00 0.00 220 P 0.00 4.73 0.00 2.16 2.08 0.00 3.85 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 1.89 1.91 0.00 221 L 7.77 5.10 0.00 1.65 1.73 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 222 H 8.27 4.44 0.00 3.32 3.43 0.00 5.58 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 0.00 223 T 7.40 3.98 4.05 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 0.00 0.00 1.16 0.00 0.00 224 K 8.35 4.76 0.00 1.95 1.71 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.39 7.81 225 V 9.14 4.96 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 0.92 0.00 0.00 0.94 0.00 0.00 226 V 8.59 4.87 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 1.08 0.00 0.00 0.95 0.00 0.00 227 A 9.11 5.32 1.22 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 0.00 0.00 228 F 9.10 5.11 0.00 3.08 2.71 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 0.00 0.00 0.00 0.00 229 V 8.24 5.45 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 0.87 0.00 0.00 0.59 0.00 0.00 230 G 8.59 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 0.00 0.00 0.00 231 R 8.05 4.21 0.00 1.92 1.98 0.00 3.26 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 232 L 8.32 4.35 0.00 1.88 1.65 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 241 L 7.51 3.78 0.00 1.60 1.59 0.95 1.13 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 0.00 242 I 7.48 3.71 2.02 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 1.51 0.80 0.98 0.00 0.00 243 K 8.23 4.05 0.00 1.80 1.85 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 244 A 8.26 4.18 1.53 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 0.00 245 V 8.44 3.50 2.27 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 1.22 0.00 0.00 0.97 0.00 0.00 246 A 8.27 4.11 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 0.00 0.00 247 A 8.11 4.12 1.39 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 0.00 248 L 8.04 3.82 0.00 1.60 1.32 0.79 1.03 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 0.00 249 F 7.84 4.59 0.00 3.09 3.05 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 0.00 0.00 0.00 250 D 8.25 4.58 0.00 2.90 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 0.00 251 R 7.71 4.33 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 252 D 8.11 4.65 0.00 2.65 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 0.00 253 P 0.00 4.49 0.00 2.12 2.17 0.00 3.76 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 2.07 2.19 0.00 254 D 8.10 4.87 0.00 2.85 2.71 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 0.00 0.00 0.00 0.00 255 R 8.33 4.12 0.00 1.82 1.78 0.00 2.67 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 256 N 8.45 4.27 0.00 2.92 3.11 0.00 0.00 5.60 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 L 8.02 5.09 0.00 1.63 1.55 1.00 0.60 0.00 0.00 0.00 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0.00 346 E 8.49 3.99 0.00 1.95 1.79 0.00 0.00 0.00 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 2.24 0.00 347 G 8.83 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 0.00 348 E 7.82 4.43 0.00 1.98 1.86 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 2.15 2.23 0.00 349 T 8.95 4.73 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 1.00 0.00 0.00 350 G 6.55 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 0.00 0.00 0.00 351 L 7.66 5.04 0.00 1.40 1.36 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 352 L 8.28 5.04 0.00 1.39 1.46 0.95 0.86 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 0.00 353 V 8.61 4.01 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 0.00 0.00 0.33 0.00 0.00 -0.27 0.00 0.00 354 D 8.52 4.64 0.00 2.54 2.57 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 0.00 355 G 8.84 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 0.00 356 H 8.69 5.08 0.00 3.06 3.09 0.00 5.91 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 0.00 357 S 8.20 4.39 0.00 4.16 4.09 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 0.00 0.00 0.00 358 P 0.00 4.34 0.00 1.97 2.22 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 359 H 8.10 4.35 0.00 3.28 3.38 0.00 5.82 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 0.00 360 A 8.07 3.96 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 0.00 361 W 8.21 3.76 0.00 3.53 3.33 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 0.00 362 A 8.60 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 363 D 8.27 4.26 0.00 2.83 2.68 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 0.00 364 A 7.82 3.87 1.05 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 0.00 0.00 0.00 0.00 0.00 365 L 8.20 3.91 0.00 1.82 1.73 1.07 1.18 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 0.00 366 A 8.15 3.94 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 0.00 367 T 7.90 3.78 4.33 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 1.16 0.00 0.00 368 L 7.44 4.17 0.00 1.53 1.70 0.88 1.01 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 0.00 369 L 8.07 4.12 0.00 1.56 1.70 0.85 1.10 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 0.00 370 D 8.06 4.75 0.00 2.72 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 0.00 371 D 7.31 4.78 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 372 D 8.42 4.36 0.00 2.72 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 0.00 373 E 8.08 3.90 0.00 2.02 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 2.36 2.39 0.00 374 T 8.04 3.83 4.27 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 1.17 0.00 0.00 375 R 7.94 3.84 0.00 2.14 2.03 0.00 3.22 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 376 I 7.87 3.72 1.96 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 1.40 0.63 0.90 0.00 0.00 377 R 7.96 4.04 0.00 2.02 2.06 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 378 M 7.80 4.48 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 379 G 8.09 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 0.00 380 E 8.13 3.96 0.00 2.18 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 2.32 2.46 0.00 381 D 8.35 4.31 0.00 2.61 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 0.00 382 A 8.38 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 383 V 7.48 3.65 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 0.87 0.00 0.00 0.96 0.00 0.00 384 E 8.07 3.94 0.00 2.07 1.92 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 2.38 2.44 0.00 385 H 8.04 3.76 0.00 3.08 3.34 0.00 5.84 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 0.00 386 A 8.04 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 387 R 7.92 4.02 0.00 1.96 2.06 0.00 3.18 0.00 0.00 3.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 388 T 7.89 4.40 4.56 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 389 F 8.28 4.65 0.00 2.90 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 0.00 390 S 8.32 4.07 0.00 3.88 3.82 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 0.00 0.00 0.00 391 W 8.25 4.30 0.00 3.43 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 0.00 392 A 7.63 3.96 1.22 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 0.00 0.00 393 A 7.85 3.94 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 394 T 7.57 4.03 4.55 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 1.21 0.00 0.00 395 A 8.53 4.03 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 0.00 396 A 8.19 3.90 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 0.00 397 Q 8.25 3.99 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 398 L 7.82 3.62 0.00 1.65 0.92 1.00 0.84 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 0.00 399 S 8.01 3.91 0.00 3.84 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 0.00 400 S 7.88 4.11 0.00 4.07 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 0.00 401 L 8.11 3.96 0.00 1.82 1.80 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 402 Y 8.60 4.42 0.00 3.14 2.94 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 0.00 403 N 8.46 4.43 0.00 2.95 2.91 0.00 0.00 7.06 7.68 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 0.00 404 D 8.35 4.37 0.00 2.94 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 0.00 405 A 8.20 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 0.00 406 I 7.99 3.85 1.92 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 1.49 1.03 0.95 0.00 0.00 407 A 8.31 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 408 N 7.74 4.90 0.00 2.83 2.83 0.00 0.00 7.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 409 E 7.35 4.11 0.00 2.13 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 2.41 2.28 0.00 410 N 8.36 4.85 0.00 2.66 2.75 0.00 0.00 6.93 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 0.00 411 V 7.55 4.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.06 0.00 0.00 412 D 8.73 4.50 0.00 2.96 2.92 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 0.00 413 G 8.41 3.78 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 0.00 0.00 0.00 414 E 7.79 4.40 0.00 1.88 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 2.26 2.26 0.00 415 T 8.40 4.20 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 1.16 0.00 0.00 416 H 8.46 4.73 0.00 3.10 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 417 H 9.38 4.77 0.00 3.14 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 418 G 8.44 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.