NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3243 8.2649 123.5834 51.7123 19.9370 176.7809 3 R 3.9988 8.3436 120.9283 55.2390 31.0209 174.8641 4 N 4.7100 8.8032 117.5421 53.9378 41.1096 173.3931 5 K 4.9421 9.3586 122.4294 54.7059 35.5981 174.7198 6 I 5.0935 8.9239 127.8981 59.4337 40.3151 174.1392 7 A 5.0945 9.0199 128.9358 50.0921 21.7960 175.2035 8 L 4.8814 9.3710 123.4534 53.1546 44.2959 176.3300 9 I 4.5132 8.7187 127.6874 63.6938 37.5882 175.6203 10 G 4.6146 9.2108 116.8800 46.3870 0.0000 173.0649 11 S 4.6515 9.1312 123.8782 57.9049 64.8916 176.2138 12 G 4.0869 7.7009 115.9946 45.2949 0.0000 175.9628 13 M 3.7042 8.3587 120.9876 58.2949 32.0160 178.4073 14 I 3.8774 7.6285 119.6219 64.1359 37.4144 178.1636 15 G 3.9930 7.6412 107.6262 47.1519 0.0000 175.2520 16 G 3.8553 8.3405 109.1327 47.9395 0.0000 175.7286 17 T 4.0418 7.6965 118.5179 66.0032 68.3424 176.7683 18 L 4.0182 8.7629 121.3101 57.9013 41.7030 179.4648 19 A 4.1492 8.1885 120.5524 55.3514 18.2460 179.2455 20 H 4.1990 8.3641 116.7118 59.4363 29.9819 177.3246 21 L 3.8842 8.0837 120.5705 57.9513 41.5395 179.3208 22 A 4.0691 8.4747 121.0061 55.1390 18.1731 179.8778 23 G 3.2877 8.2113 103.9614 48.0145 0.0000 175.9519 24 L 3.5619 7.4366 121.0854 56.4385 41.6994 178.9151 25 K 4.2372 7.8831 115.5111 55.0264 33.1046 176.0962 26 E 3.7744 7.8617 118.0484 57.5012 27.2255 175.4397 27 L 4.1567 8.1003 117.8153 55.9208 42.7138 178.4622 28 G 3.7347 7.5325 104.0074 44.4807 0.0000 172.2878 29 D 4.5298 8.1745 120.3523 54.1645 42.4634 175.9944 30 V 4.7374 8.4549 121.0847 61.0693 35.0837 174.1812 31 V 4.8596 9.0114 127.7606 61.1781 33.9725 173.9880 32 L 4.8865 9.2485 128.7058 53.4481 43.3275 175.3491 33 F 5.2100 9.3602 126.5612 56.6975 42.5284 173.3377 34 D 4.5716 7.1094 122.4721 53.5118 44.6521 175.7149 35 I 3.6600 8.0518 113.8576 61.7115 38.4730 176.1146 36 A 4.0056 8.0498 125.3766 51.6484 18.4271 177.1176 37 E 4.1167 8.4522 123.5048 57.7742 30.6594 175.8186 38 G 4.3188 9.0749 115.2835 46.6561 0.0000 175.7405 39 T 3.7677 7.8735 116.8528 65.9343 68.4647 174.7800 40 P 4.3159 0.0000 0.0000 65.6210 31.4822 178.4485 41 Q 4.0805 8.0169 117.9908 58.6430 28.6238 178.5490 42 G 3.5426 8.5282 107.0901 47.8272 0.0000 175.9833 43 K 4.0500 8.1403 121.8037 58.7884 31.9725 179.6792 44 G 3.7143 8.1069 106.0236 47.8912 0.0000 175.5138 45 L 3.9494 8.0064 123.2328 57.6010 41.8642 178.3757 46 D 4.2524 8.0833 117.3997 57.5218 41.4396 178.1590 47 I 3.6999 7.8213 120.0691 64.0299 37.0585 178.0638 48 A 3.8078 7.7653 121.8158 55.4248 18.0083 179.6459 49 E 3.9686 8.1321 115.7159 58.9952 29.7558 179.1473 50 S 4.2966 7.8896 114.1762 60.2471 63.3158 176.4308 51 S 2.7900 7.6617 118.6667 60.6009 62.3002 174.6367 52 P 4.2202 0.0000 0.0000 64.4903 31.0621 178.5366 53 V 3.6671 7.3420 117.0599 66.0695 31.6848 177.2776 54 D 4.6860 7.9641 115.4982 54.5831 41.1275 177.4347 55 G 3.8784 7.7797 107.5714 45.2860 0.0000 173.2231 56 F 4.4739 7.6828 114.2273 56.1489 38.7076 174.5738 57 D 4.8166 8.7751 124.3803 53.0292 41.2369 175.5698 58 A 4.8694 8.3454 124.9171 50.4664 22.4915 175.5238 59 K 4.3770 9.5217 121.9364 56.1035 33.7350 176.1252 60 F 5.2152 8.9190 122.2521 56.0225 42.0092 174.5940 61 T 4.6426 8.9563 120.1748 61.7003 71.9308 173.2221 62 G 4.4416 8.8372 113.1877 44.9814 0.0000 172.6638 63 A 4.8048 8.8653 123.7755 50.4100 23.0080 176.4541 64 N 4.7674 8.6922 115.1824 51.8027 39.8693 174.0715 65 D 5.0564 7.6286 118.5994 52.1056 43.5842 176.3018 66 Y 3.8292 8.7095 123.3591 60.5212 37.8671 178.2409 67 A 2.5800 7.8875 121.5231 54.0521 18.0670 179.2967 68 A 4.0015 7.7029 118.9429 54.5316 18.6744 178.7390 69 I 4.1059 7.4355 110.3206 59.9456 37.9550 175.2877 70 E 4.3542 7.2649 122.0223 58.3407 29.6925 176.9592 71 G 3.8945 9.0497 113.3151 45.7182 0.0000 173.3588 72 A 4.1104 7.8166 122.6902 52.3298 18.9893 178.3203 73 D 4.6972 9.0598 122.9968 56.6964 42.2244 176.8684 74 V 4.8371 7.7790 116.9985 60.9283 35.4185 174.4452 75 V 4.8478 8.9100 126.9914 61.1357 34.5396 174.0100 76 I 4.8526 8.7986 128.3966 59.4490 40.5277 174.4709 77 V 4.8539 8.7665 127.7103 61.5476 33.1809 175.5559 78 T 4.6776 9.2602 117.2824 60.7836 70.6085 173.6915 79 A 4.0333 8.2852 124.4692 52.1289 18.7649 177.8315 80 G 3.8892 7.6034 109.4185 45.9622 0.0000 171.4418 81 V 4.4727 8.2537 112.6505 58.5447 34.2192 174.3845 82 P 4.3835 0.0000 0.0000 62.8411 32.0709 177.1116 83 R 4.1436 8.4657 120.5521 56.5199 28.7632 178.0968 84 K 4.1882 8.5826 127.9694 55.6775 32.4112 174.9845 *90 D 4.6461 8.0630 116.3305 54.0090 41.5411 182.3764 91 D 4.6765 7.9119 121.9667 58.5470 40.2322 182.9202 92 L 4.1376 7.8879 121.3732 58.0486 41.9980 178.3596 93 L 4.0145 8.1239 119.8809 58.5483 41.3978 179.1384 94 G 3.6439 8.0993 104.6673 47.8714 0.0000 175.5498 95 I 3.7897 7.5011 121.4097 64.3230 37.1310 178.3248 96 N 4.4550 8.6302 117.6583 55.7967 38.3753 177.2631 97 L 4.1562 8.4476 124.8554 58.8280 42.0285 179.8939 98 K 4.1359 7.8517 122.9494 59.5175 31.5053 181.4718 99 V 3.7920 7.5338 118.7074 66.4385 31.4397 177.9951 100 M 4.0599 8.4152 118.8541 58.3287 31.8230 178.3035 101 E 2.6817 7.7848 119.3371 58.9564 29.6689 179.0212 102 Q 3.8092 7.5627 117.9290 58.8740 28.7472 178.8633 103 V 3.6290 7.5543 121.0333 65.3488 31.5081 177.9863 104 G 3.7004 8.6343 105.9865 48.0613 0.0000 175.4268 105 A 3.9524 7.7855 123.1761 54.5170 18.3192 180.0051 106 G 2.7653 7.3900 104.2836 47.6030 0.0000 176.0833 107 I 3.6542 7.7671 122.7217 63.8328 36.9195 178.0212 108 K 3.7109 7.7919 119.3824 59.6986 31.9807 178.2099 109 K 3.7991 7.6495 117.9089 59.1857 32.4171 177.5221 110 Y 4.6616 8.0450 115.4346 57.9310 39.9628 175.7538 111 A 5.1516 8.2650 122.8023 50.6145 19.2481 175.7303 112 P 4.2985 0.0000 0.0000 65.5757 31.9946 177.3631 113 E 4.3863 8.0537 116.0983 56.0928 29.7419 175.8994 114 A 4.4502 7.7112 121.4531 51.8481 19.5620 177.1345 115 F 4.7225 8.7498 122.8568 57.1360 40.9115 174.6593 116 V 4.6311 8.4480 126.4863 60.9836 34.1665 174.1005 117 I 4.5557 8.3953 128.4641 59.6301 39.9275 173.9621 118 C 4.6695 9.1445 128.7334 58.4122 32.5219 173.9775 119 I 4.3505 8.8586 125.3663 62.0159 39.9478 176.5854 120 T 3.7857 7.9891 117.5910 64.2777 68.7600 172.8190 121 N 5.0292 8.4751 122.9541 51.4410 40.2560 173.6505 122 P 4.4063 0.0000 0.0000 62.3348 32.2648 176.5881 123 L 4.3412 8.5708 126.3511 57.7135 41.4068 178.2044 124 D 4.3692 8.1883 117.8389 57.4630 40.6528 178.6684 125 A 4.2825 7.7872 119.5589 54.6620 19.5170 179.0330 126 M 4.0741 8.1746 117.4315 58.5118 31.9183 179.4737 127 V 3.4647 8.0877 119.6657 64.3496 31.4298 178.1709 128 W 3.7195 7.4628 125.6950 60.0203 30.4490 177.8476 129 A 3.2456 8.3048 120.7637 54.7396 17.7589 179.3034 130 L 3.9567 8.1463 119.3076 58.2954 42.1309 178.8434 131 Q 3.8411 7.9060 119.4992 59.1273 28.6986 178.7288 132 K 3.6755 6.9495 117.8498 59.4607 32.1494 179.0074 133 F 4.4994 7.6121 117.1964 60.6592 38.9123 177.5362 134 S 4.4791 8.3263 112.8193 58.8683 63.2171 175.6422 135 G 3.8708 7.8133 108.9461 45.3905 0.0000 173.8653 136 L 4.1611 7.2931 119.4038 53.5277 42.3764 175.3335 137 P 4.2814 0.0000 0.0000 62.5995 32.0550 177.5147 138 A 4.1431 8.8988 125.7710 55.6655 18.5379 178.7703 139 H 4.5726 8.3318 109.3948 57.2253 29.0832 176.1369 140 K 4.8513 8.4134 119.9004 56.2139 33.5995 175.4799 141 V 4.7440 8.0363 120.5034 61.2977 33.8801 175.0241 142 V 4.9573 8.7805 120.4667 59.7088 36.6968 174.5508 143 G 4.3637 8.7850 108.8031 44.6227 0.0000 172.2596 144 M 4.7106 8.7499 124.1458 55.0565 32.5830 174.4751 145 A 4.7664 8.7934 128.0834 52.6880 24.9138 177.9890 146 G 3.7497 8.2328 101.8625 48.0303 0.0000 175.6895 147 V 3.6308 7.7799 119.8735 65.4871 31.5145 177.8189 148 L 3.9374 7.8669 119.7109 58.3952 42.1062 178.4327 149 D 4.4241 8.0347 118.3718 57.5933 40.6597 178.9284 150 S 4.2372 8.6199 113.7642 61.0656 62.3131 176.1543 151 A 3.9624 8.2426 123.8337 55.1319 18.1719 179.4939 152 R 3.4846 8.0238 116.7391 59.3810 30.1938 178.7961 153 F 4.4972 8.3326 120.0454 61.7723 39.2981 177.3530 154 R 3.8983 8.3286 117.7488 59.3575 29.8239 178.4375 155 Y 4.0881 8.1397 119.3631 60.7862 38.7993 178.1706 156 F 4.3823 7.9342 118.7045 60.6507 39.0082 177.6872 157 L 4.1185 8.3892 118.9553 57.8063 41.4532 179.6888 158 S 4.2662 8.4561 114.5333 61.3765 62.5694 176.6151 159 E 3.8345 7.5782 121.1008 59.1303 29.3135 178.3796 160 E 3.8999 7.7570 117.9881 59.0678 29.7838 178.2293 161 F 4.6755 8.0465 114.7304 56.5929 40.2450 174.9316 162 N 4.2220 8.1628 116.2797 55.0259 37.4708 173.3761 163 V 4.5895 7.4235 108.3480 58.8393 36.1474 175.9862 164 S 4.2076 8.5624 115.4459 58.8189 62.6470 175.8558 165 V 3.7590 8.5801 119.4581 64.6268 31.4720 178.1053 166 E 4.1339 8.1524 117.8570 58.3951 29.5467 176.9797 167 D 4.7934 8.1284 118.0386 54.0518 42.2771 175.7659 168 V 4.7634 7.5085 119.9113 61.5124 33.1078 175.0450 169 T 4.7506 8.7247 124.1575 61.8467 71.5089 173.5838 170 V 4.6484 8.3384 117.3744 59.3884 35.9088 174.8059 171 F 4.7373 8.9236 124.4216 56.5546 41.9574 173.9657 172 V 4.8305 8.1636 125.8175 61.2457 33.7922 174.5544 173 L 4.6883 9.3256 128.1468 54.3502 44.5990 178.2053 174 G 3.5368 8.8834 109.6660 44.9778 0.0000 171.5485 175 G 4.5428 7.8588 107.7113 43.9800 0.0000 172.8885 176 H 4.7120 8.4820 116.9054 55.9223 31.0099 177.0072 177 G 4.0437 8.2882 109.4976 46.7383 0.0000 177.2630 178 D 4.4801 8.8232 123.8882 56.2026 40.6304 176.8733 179 S 4.3845 7.8957 112.7670 58.8057 63.6516 173.5295 180 M 4.3550 7.6223 122.2997 55.3125 32.8783 176.3323 181 V 4.5002 8.9786 126.2409 60.3894 32.4843 171.9065 182 P 5.1803 0.0000 0.0000 61.7930 33.3324 176.2538 183 L 4.6456 9.2941 122.7463 52.8170 42.6484 176.9052 184 A 4.1701 8.7702 128.4449 55.0320 18.6282 179.7182 185 R 4.1126 7.9059 110.3570 58.3531 29.8184 176.5734 186 Y 5.0832 7.8149 115.7281 57.8315 39.0565 175.4291 187 S 5.1665 8.1861 115.9731 57.1692 66.1537 173.3780 188 T 5.0225 9.0028 112.5312 60.3550 72.9005 172.6659 189 V 4.4712 8.2967 122.3942 61.2866 33.6802 175.3289 190 A 3.8532 10.0542 131.2882 53.1115 16.5351 178.0530 191 G 3.9364 8.5092 108.9064 46.7313 0.0000 174.5013 192 I 4.0077 7.4917 121.7608 59.6046 37.9431 173.9556 193 P 4.8303 0.0000 0.0000 61.9615 33.2916 177.2108 194 L 3.9370 8.4700 121.5592 57.9460 41.7513 178.5815 195 P 4.3147 0.0000 0.0000 65.4789 31.2452 178.4451 196 D 4.3132 7.9285 117.5963 57.1522 40.8120 178.4991 197 L 3.4688 7.6574 119.5534 57.2057 41.4417 179.7887 198 V 3.8525 7.6892 119.7346 65.6355 31.3580 178.2430 199 K 3.9706 7.7016 116.4881 59.5217 31.9522 178.4456 200 M 4.3810 7.8245 116.7065 55.6756 31.8761 177.2715 201 G 4.1335 8.3299 108.4373 45.1288 0.0000 175.2231 202 W 4.5633 8.2693 119.4410 59.0002 29.5749 175.4647 203 T 4.5240 7.6005 108.8439 60.3912 70.3323 171.5867 204 S 4.9822 8.1451 117.1068 56.0808 66.8696 174.4612 205 Q 3.9862 8.5933 123.4758 59.7274 28.7603 178.5654 206 D 4.3597 8.0729 119.2364 57.3687 40.9128 178.8570 207 K 3.9733 8.0124 118.6592 59.0781 31.9606 179.0784 208 L 4.0193 8.0742 120.6844 58.5503 42.0765 178.7971 209 D 4.4147 8.8942 121.4314 58.0428 40.7110 179.7543 210 K 4.0559 8.0426 124.1855 59.5992 31.8189 181.9403 211 I 3.8620 7.8009 120.2307 64.3232 37.0253 178.5613 212 I 3.2613 7.9592 121.0645 64.2884 36.9379 178.3008 213 Q 3.9245 8.0243 120.4351 59.1150 28.6476 178.1861 214 R 3.8564 7.8278 118.9422 59.5312 30.3691 178.3917 215 T 4.3014 7.8724 115.4290 66.6736 68.4268 176.9539 216 R 4.0053 8.1179 120.0406 58.8179 30.0184 177.8144 217 D 4.9559 8.1313 116.6170 54.2814 40.9125 178.5889 218 G 3.8145 7.9878 108.9086 47.6895 0.0000 176.4685 219 G 3.5929 8.0545 107.3118 47.7382 0.0000 175.6107 220 A 4.1058 7.9605 122.9075 54.4219 18.3418 179.1569 221 E 3.8817 8.4243 118.4437 59.4901 29.7048 179.1851 222 I 3.7595 7.6241 120.0185 64.3279 37.2168 178.3734 223 V 4.1291 7.3390 120.6451 65.5338 31.0625 178.3548 224 G 3.7923 8.2196 104.4356 47.2134 0.0000 175.6813 225 L 4.1919 7.4208 120.3644 57.9407 41.9836 179.2024 226 L 4.0771 8.2851 117.6289 55.6518 41.5821 178.7800 227 K 4.3333 8.4775 122.8950 57.1782 31.5442 176.7413 228 T 4.4019 7.5056 104.5604 60.8717 69.2468 173.4327 229 G 3.9752 7.3289 110.5977 45.8232 0.0000 172.0985 230 S 4.7537 8.3809 113.5079 55.4086 65.6156 173.4699 231 A 4.1314 8.4910 123.1489 52.8606 18.6491 177.4357 232 F 4.8725 7.9137 112.7654 56.6317 40.3065 177.0790 233 Y 3.9911 7.4580 118.7344 61.0174 37.7864 177.7026 234 A 4.0409 7.9143 121.2105 54.4541 18.5747 177.7104 235 P 4.2097 0.0000 0.0000 65.5807 31.4273 178.6348 236 A 3.9597 7.9936 119.0399 55.1144 18.3729 179.2854 237 A 3.9680 8.1243 119.3287 55.5994 18.2963 179.9745 238 S 4.0715 8.2106 113.1249 61.8763 62.9892 176.9536 239 A 4.0425 8.0455 123.3481 55.2040 18.0165 179.7901 240 I 3.7495 8.0793 118.5834 64.4404 37.1499 178.3304 241 Q 3.9902 8.2232 120.5399 59.4611 28.6992 178.4168 242 M 4.1614 7.9738 119.6215 58.4239 31.9663 178.5710 243 A 4.2520 8.2194 120.9539 55.2632 18.5142 179.3293 244 E 3.9439 8.6064 118.0771 59.2333 29.7056 178.8093 245 S 4.0908 8.2365 113.4359 61.4221 62.4272 175.5528 246 Y 3.8674 7.8590 122.1139 60.8108 38.3854 178.0158 247 L 4.0020 8.2068 118.7306 57.0092 41.8288 178.7465 248 K 4.2950 7.9903 115.2583 54.7598 33.0383 175.5625 249 D 4.2224 7.5229 117.4996 55.0441 40.0334 174.3735 250 K 4.0212 8.1792 119.6301 57.0291 32.6938 176.5114 251 K 4.1284 7.9852 115.4506 56.4621 29.5565 175.6988 252 R 4.0511 7.7062 117.1738 56.5558 31.3862 176.5399 253 V 4.5384 8.3223 123.0727 62.0969 32.1950 175.0173 254 L 4.9427 9.0162 128.8708 51.9728 45.4413 174.3041 255 P 4.7569 0.0000 0.0000 62.9692 31.8314 175.9876 256 V 4.6517 8.9826 117.4005 58.9937 36.9322 174.9056 257 A 4.6817 8.8781 124.7234 52.1273 19.0712 176.5559 258 A 5.0297 8.8882 123.6284 50.2563 23.0332 174.8880 259 Q 3.8659 7.6584 121.6996 55.8757 29.5356 175.7334 260 L 4.4763 8.8301 127.7790 53.5692 43.2132 177.1337 261 S 4.8292 8.8204 115.3654 56.0950 62.9419 173.2165 262 G 4.0434 8.7990 112.9852 46.9038 0.0000 173.4522 263 Q 4.2531 8.0756 118.5656 56.6876 29.4667 176.0572 264 Y 3.2113 9.3983 118.4277 58.6343 35.9856 171.0904 265 G 3.8428 8.2442 106.2511 45.8120 0.0000 173.7814 266 V 4.5043 7.8771 119.3217 60.6073 32.8017 174.8733 267 K 5.0605 7.9761 124.5902 55.6488 35.7704 175.4594 268 D 4.7612 8.5176 118.3056 55.2383 38.9678 173.5114 269 M 5.1301 7.4227 116.8549 54.4857 36.3470 172.9338 270 Y 4.5553 8.9318 122.0288 57.4999 39.1375 175.1228 271 V 4.4269 8.7173 123.7182 60.4675 35.8312 174.6803 272 G 4.0409 8.5451 113.6473 46.4025 0.0000 172.6045 273 V 5.0370 9.0199 119.3212 58.7029 36.8822 172.7869 274 P 4.8378 0.0000 0.0000 63.2288 32.3095 175.2633 275 T 5.1163 8.9480 113.9012 59.7432 72.9455 172.8592 276 V 4.4553 8.9884 123.7996 62.4444 32.9676 174.6003 277 I 4.8072 8.7360 129.2599 59.9081 39.4468 175.2705 278 G 3.9808 8.5966 116.0308 44.4856 0.0000 172.2837 279 A 3.4199 8.8035 122.0765 53.9337 18.3130 178.3675 280 N 4.9716 8.5100 112.8959 52.7429 40.0662 176.5368 281 G 3.6110 8.1707 108.2541 45.7577 0.0000 176.2415 282 V 4.0139 9.1527 128.6122 63.4014 30.7224 175.1562 283 E 4.4855 9.0737 128.6875 57.5125 31.1572 177.1353 284 R 4.5290 7.6741 119.5833 55.2469 33.6266 173.6516 285 I 4.5317 8.4174 127.7241 60.4010 38.4231 175.2805 286 I 4.2075 8.6694 129.1688 60.4895 37.5399 175.0276 287 E 4.9981 9.0998 127.3855 53.2759 31.4463 174.6399 288 I 4.5644 8.2090 118.2347 58.7549 40.6976 174.5683 289 D 4.6514 8.3887 120.4627 53.8289 41.5386 176.1763 290 L 4.8294 8.0823 121.6010 52.4807 44.9705 177.0321 291 D 4.7529 9.0757 125.7698 52.8639 42.1426 178.2353 292 K 3.9050 8.5087 123.2860 60.3181 31.4560 176.1357 293 D 4.5799 8.0770 119.5841 57.0848 40.8112 178.5135 294 E 3.9804 8.5584 119.1430 59.4152 29.4290 179.3643 295 K 3.9712 8.3876 119.5730 59.4298 32.2038 178.7131 296 A 4.0469 8.0543 121.0543 55.0843 18.2862 179.6945 297 Q 3.9128 8.2046 116.6357 59.0488 28.8331 178.4962 298 F 4.0313 8.4389 121.7701 61.6765 39.3540 176.9718 299 D 4.5466 8.8425 121.1490 57.8692 40.6073 179.5856 300 K 3.9919 8.0728 124.3897 59.7176 31.6816 181.6616 301 S 4.1967 7.9383 114.2652 61.0973 62.2996 176.4000 302 V 3.3265 7.8683 121.2153 65.7777 31.1519 177.8688 303 A 3.9053 8.0297 120.5764 55.2061 18.0963 179.5676 304 S 3.9710 7.9272 111.6207 61.3742 62.4280 176.5629 305 V 3.4323 7.7298 120.7870 65.8058 31.1851 177.7217 306 A 3.8277 8.4755 120.9788 55.0469 18.1762 179.6033 307 G 3.5763 8.2690 104.5272 47.9452 0.0000 175.5835 308 L 3.8769 7.4791 122.8994 58.0793 42.1748 178.8003 309 C 3.5480 7.6070 116.5823 62.5438 27.6330 176.0509 310 E 3.8862 8.1142 120.1672 59.3560 29.1803 179.2577 311 A 4.0525 8.0841 120.6939 55.2641 18.3525 179.5006 312 C 4.3031 8.0030 115.3761 62.8203 28.0778 176.1976 313 I 4.0881 7.9894 121.7618 64.4869 36.5221 178.6995 314 G 3.6667 7.8319 104.9582 47.4016 0.0000 175.1142 315 I 4.3933 7.1971 119.8458 61.8005 38.4825 175.5588 316 A 4.6363 8.4860 123.2770 49.4304 19.4738 174.4740 317 P 4.7544 0.0000 0.0000 64.4413 31.8455 179.1637 318 S 4.2362 8.1221 112.3933 60.8932 62.8201 175.3545 319 L 3.8371 7.8275 122.1673 56.5937 41.6729 177.7136 320 K 4.2729 7.8659 125.3123 54.7684 31.5444 182.1900 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.32 1.28 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 0.00 0.00 0.00 3 R 8.34 4.00 0.00 1.89 1.87 0.00 3.54 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 4 N 8.80 4.71 0.00 2.86 2.79 0.00 0.00 6.29 7.87 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 5 K 9.36 4.94 0.00 1.78 1.62 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.36 7.81 6 I 8.92 5.09 1.85 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 1.20 0.53 0.93 0.00 0.00 7 A 9.02 5.09 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 8 L 9.37 4.88 0.00 1.66 1.63 1.04 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.72 4.51 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 1.07 0.00 0.00 10 G 9.21 4.61 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 0.00 0.00 0.00 11 S 9.13 4.65 0.00 3.74 3.79 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 0.00 0.00 0.00 12 G 7.70 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 0.00 0.00 0.00 13 M 8.36 3.70 0.00 0.92 1.78 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 14 I 7.63 3.88 1.88 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 1.65 0.89 0.94 0.00 0.00 15 G 7.64 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 16 G 8.34 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 17 T 7.70 4.04 4.41 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 1.34 0.00 0.00 18 L 8.76 4.02 0.00 1.88 1.76 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.19 4.15 1.56 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 0.00 0.00 0.00 20 H 8.36 4.20 0.00 3.36 3.50 0.00 5.62 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 21 L 8.08 3.88 0.00 1.91 1.72 0.98 0.63 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 22 A 8.47 4.07 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 23 G 8.21 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.44 3.56 0.00 1.47 1.66 0.72 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.88 4.24 0.00 1.74 1.82 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.42 7.81 26 E 7.86 3.77 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 27 L 8.10 4.16 0.00 1.65 1.74 0.94 0.68 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 28 G 7.53 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 29 D 8.17 4.53 0.00 2.55 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 30 V 8.45 4.74 1.46 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 1.00 0.00 0.00 0.70 0.00 0.00 31 V 9.01 4.86 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 0.96 0.00 0.00 0.98 0.00 0.00 32 L 9.25 4.89 0.00 1.63 1.59 1.05 0.81 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 33 F 9.36 5.21 0.00 3.00 2.90 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 34 D 7.11 4.57 0.00 2.62 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 0.00 0.00 0.00 0.00 35 I 8.05 3.66 1.79 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 1.30 0.67 0.89 0.00 0.00 36 A 8.05 4.01 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 37 E 8.45 4.12 0.00 1.91 1.84 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 2.23 2.24 0.00 38 G 9.07 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 0.00 0.00 0.00 0.00 39 T 7.87 3.77 4.15 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 1.18 0.00 0.00 40 P 0.00 4.32 0.00 2.33 2.22 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 41 Q 8.02 4.08 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 42 G 8.53 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.14 4.05 0.00 1.81 1.85 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.60 7.81 44 G 8.11 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 45 L 8.01 3.95 0.00 1.87 1.83 0.92 0.92 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 46 D 8.08 4.25 0.00 2.76 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 47 I 7.82 3.70 1.33 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 1.32 0.36 0.28 0.00 0.00 48 A 7.77 3.81 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 49 E 8.13 3.97 0.00 2.08 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 2.41 0.00 50 S 7.89 4.30 0.00 4.08 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.66 2.79 0.00 3.32 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 52 P 0.00 4.22 0.00 1.97 2.09 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 53 V 7.34 3.67 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 0.83 0.00 0.00 0.93 0.00 0.00 54 D 7.96 4.69 0.00 2.91 2.88 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 55 G 7.78 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 56 F 7.68 4.47 0.00 3.15 3.08 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 57 D 8.78 4.82 0.00 2.75 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 58 A 8.35 4.87 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 59 K 9.52 4.38 0.00 1.64 1.74 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.43 7.81 60 F 8.92 5.22 0.00 2.95 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.96 4.64 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 1.22 0.00 0.00 62 G 8.84 4.44 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 0.00 63 A 8.87 4.80 1.23 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 0.00 0.00 64 N 8.69 4.77 0.00 2.56 2.64 0.00 0.00 6.98 8.06 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 65 D 7.63 5.06 0.00 2.71 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 66 Y 8.71 3.83 0.00 3.10 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 67 A 7.89 2.58 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 68 A 7.70 4.00 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 69 I 7.44 4.11 1.88 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 1.73 0.77 0.85 0.00 0.00 70 E 7.26 4.35 0.00 2.10 1.95 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 2.40 2.59 0.00 71 G 9.05 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 72 A 7.82 4.11 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 73 D 9.06 4.70 0.00 2.84 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 74 V 7.78 4.84 2.15 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 1.14 0.00 0.00 1.11 0.00 0.00 75 V 8.91 4.85 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 0.98 0.00 0.00 0.92 0.00 0.00 76 I 8.80 4.85 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.69 0.96 0.00 0.00 77 V 8.77 4.85 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 1.01 0.00 0.00 0.91 0.00 0.00 78 T 9.26 4.68 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 1.22 0.00 0.00 79 A 8.29 4.03 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 0.00 0.00 0.00 0.00 0.00 80 G 7.60 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 81 V 8.25 4.47 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 0.77 0.00 0.00 0.94 0.00 0.00 82 P 0.00 4.38 0.00 2.17 2.04 0.00 3.75 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 1.98 1.94 0.00 83 R 8.47 4.14 0.00 1.86 1.80 0.00 3.25 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 84 K 8.58 4.19 0.00 1.76 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 0.99 7.81 *90 D 8.06 4.65 0.00 2.72 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 91 D 7.91 4.68 0.00 2.67 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 92 L 7.89 4.14 0.00 1.75 1.71 0.96 0.53 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 93 L 8.12 4.01 0.00 1.80 1.71 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.10 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 95 I 7.50 3.79 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.92 0.00 0.00 96 N 8.63 4.45 0.00 2.84 2.89 0.00 0.00 6.69 6.28 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 97 L 8.45 4.16 0.00 2.07 1.75 1.15 0.90 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 98 K 7.85 4.14 0.00 1.83 1.80 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 99 V 7.53 3.79 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 1.16 0.00 0.00 1.00 0.00 0.00 100 M 8.42 4.06 0.00 2.22 2.42 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.93 0.00 101 E 7.78 2.68 0.00 1.59 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 0.00 1.85 1.47 0.00 102 Q 7.56 3.81 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 103 V 7.55 3.63 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 1.34 0.00 0.00 1.06 0.00 0.00 104 G 8.63 3.70 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 0.00 0.00 0.00 105 A 7.79 3.95 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 0.00 106 G 7.39 2.77 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 0.00 107 I 7.77 3.65 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.89 0.00 0.00 108 K 7.79 3.71 0.00 1.85 1.91 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 109 K 7.65 3.80 0.00 1.46 1.22 0.00 1.53 0.00 0.00 1.18 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 1.00 7.81 110 Y 8.05 4.66 0.00 3.15 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 0.00 111 A 8.26 5.15 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 0.00 112 P 0.00 4.30 0.00 2.18 2.33 0.00 3.77 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 1.99 1.96 0.00 113 E 8.05 4.39 0.00 2.02 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 0.00 2.28 2.26 0.00 114 A 7.71 4.45 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 0.00 115 F 8.75 4.72 0.00 1.72 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.45 4.63 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 0.87 0.00 0.00 0.84 0.00 0.00 117 I 8.40 4.56 1.72 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 0.79 -0.12 0.85 0.00 0.00 118 C 9.14 4.67 0.00 2.85 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 0.00 119 I 8.86 4.35 1.98 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 1.24 0.79 0.93 0.00 0.00 120 T 7.99 3.79 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 1.26 0.00 0.00 121 N 8.48 5.03 0.00 2.73 2.75 0.00 0.00 7.09 8.02 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 0.00 122 P 0.00 4.41 0.00 2.26 2.21 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 2.08 2.02 0.00 123 L 8.57 4.34 0.00 1.72 1.71 0.91 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.19 4.37 0.00 2.68 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 0.00 125 A 7.79 4.28 1.28 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 0.00 0.00 0.00 126 M 8.17 4.07 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.94 0.00 127 V 8.09 3.46 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.63 0.00 0.00 128 W 7.46 3.72 0.00 3.39 3.41 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 0.00 129 A 8.30 3.25 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 0.00 130 L 8.15 3.96 0.00 1.85 1.78 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.91 3.84 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.72 0.00 132 K 6.95 3.68 0.00 1.08 1.33 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.08 0.88 7.81 133 F 7.61 4.50 0.00 2.93 2.90 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 0.00 134 S 8.33 4.48 0.00 3.96 3.95 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 0.00 135 G 7.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.29 4.16 0.00 1.54 1.59 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.28 0.00 2.03 2.01 0.00 3.59 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 2.10 0.00 138 A 8.90 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 0.00 139 H 8.33 4.57 0.00 3.55 3.61 0.00 5.42 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 0.00 140 K 8.41 4.85 0.00 1.78 2.05 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.02 1.44 7.81 141 V 8.04 4.74 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 0.65 0.00 0.00 0.89 0.00 0.00 142 V 8.78 4.96 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 0.84 0.00 0.00 0.75 0.00 0.00 143 G 8.79 4.36 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 0.00 144 M 8.75 4.71 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 145 A 8.79 4.77 1.12 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 0.00 0.00 146 G 8.23 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 0.00 147 V 7.78 3.63 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 1.13 0.00 0.00 0.96 0.00 0.00 148 L 7.87 3.94 0.00 1.84 1.94 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 149 D 8.03 4.42 0.00 2.98 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 0.00 150 S 8.62 4.24 0.00 3.95 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 0.00 151 A 8.24 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 0.00 152 R 8.02 3.48 0.00 1.99 1.78 0.00 3.21 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 153 F 8.33 4.50 0.00 3.21 3.10 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 0.00 154 R 8.33 3.90 0.00 2.08 1.98 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 155 Y 8.14 4.09 0.00 2.99 2.88 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 0.00 156 F 7.93 4.38 0.00 3.39 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.39 4.12 0.00 1.97 2.03 0.64 0.99 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 0.00 158 S 8.46 4.27 0.00 4.33 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 0.00 159 E 7.58 3.83 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.72 0.00 160 E 7.76 3.90 0.00 1.75 1.75 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 1.77 1.47 0.00 161 F 8.05 4.68 0.00 3.30 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 0.00 162 N 8.16 4.22 0.00 2.83 2.85 0.00 0.00 6.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.42 4.59 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 0.93 0.00 0.00 1.04 0.00 0.00 164 S 8.56 4.21 0.00 3.87 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 0.00 165 V 8.58 3.76 2.15 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 1.04 0.00 0.00 0.98 0.00 0.00 166 E 8.15 4.13 0.00 1.99 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 2.36 2.30 0.00 167 D 8.13 4.79 0.00 2.77 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 0.00 168 V 7.51 4.76 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 0.73 0.00 0.00 1.00 0.00 0.00 169 T 8.72 4.75 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 1.24 0.00 0.00 170 V 8.34 4.65 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 -0.14 0.00 0.00 0.95 0.00 0.00 171 F 8.92 4.74 0.00 3.48 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 0.00 172 V 8.16 4.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.15 0.00 0.00 173 L 9.33 4.69 0.00 1.84 1.68 0.98 0.63 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 0.00 174 G 8.88 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 G 7.86 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 H 8.48 4.71 0.00 3.22 3.20 0.00 5.76 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 0.00 177 G 8.29 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 0.00 178 D 8.82 4.48 0.00 2.67 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 0.00 179 S 7.90 4.38 0.00 3.96 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 0.00 180 M 7.62 4.35 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.37 0.00 181 V 8.98 4.50 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.02 0.00 0.00 182 P 0.00 5.18 0.00 2.34 2.16 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 183 L 9.29 4.65 0.00 2.00 1.61 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 184 A 8.77 4.17 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 0.00 0.00 0.00 0.00 0.00 185 R 7.91 4.11 0.00 1.81 1.97 0.00 2.70 0.00 0.00 3.04 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.98 0.00 186 Y 7.81 5.08 0.00 2.53 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 S 8.19 5.17 0.00 3.88 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 0.00 188 T 9.00 5.02 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 1.24 0.00 0.00 189 V 8.30 4.47 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 1.00 0.00 0.00 0.47 0.00 0.00 190 A 10.05 3.85 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 0.00 191 G 8.51 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 0.00 192 I 7.49 4.01 1.52 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.47 0.61 0.00 0.00 193 P 0.00 4.83 0.00 2.12 2.13 0.00 3.51 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 194 L 8.47 3.94 0.00 1.85 1.83 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 195 P 0.00 4.31 0.00 2.13 2.09 0.00 3.51 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 2.08 2.18 0.00 196 D 7.93 4.31 0.00 2.78 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 0.00 197 L 7.66 3.47 0.00 1.72 1.47 0.33 -0.60 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 0.00 198 V 7.69 3.85 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 1.21 0.00 0.00 1.01 0.00 0.00 199 K 7.70 3.97 0.00 1.89 1.86 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.62 7.81 200 M 7.82 4.38 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 201 G 8.33 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 W 8.27 4.56 0.00 3.50 3.70 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 0.00 203 T 7.60 4.52 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 1.47 0.00 0.00 204 S 8.15 4.98 0.00 4.07 3.95 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 0.00 205 Q 8.59 3.99 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 206 D 8.07 4.36 0.00 2.76 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 0.00 207 K 8.01 3.97 0.00 1.97 1.80 0.00 1.87 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 208 L 8.07 4.02 0.00 1.98 1.95 1.18 1.26 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 0.00 209 D 8.89 4.41 0.00 2.81 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 0.00 210 K 8.04 4.06 0.00 1.78 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 211 I 7.80 3.86 2.12 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 1.56 0.83 1.25 0.00 0.00 212 I 7.96 3.26 1.93 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 0.99 0.89 0.80 0.00 0.00 213 Q 8.02 3.92 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 214 R 7.83 3.86 0.00 1.73 1.70 0.00 2.74 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 215 T 7.87 4.30 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 1.27 0.00 0.00 216 R 8.12 4.01 0.00 2.02 1.97 0.00 3.08 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 217 D 8.13 4.96 0.00 2.69 2.67 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 0.00 218 G 7.99 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 G 8.05 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 A 7.96 4.11 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 0.00 221 E 8.42 3.88 0.00 2.07 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 0.00 2.35 2.37 0.00 222 I 7.62 3.76 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 0.96 0.00 0.00 223 V 7.34 4.13 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 1.30 0.00 0.00 1.07 0.00 0.00 224 G 8.22 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 225 L 7.42 4.19 0.00 1.79 1.75 0.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 226 L 8.29 4.08 0.00 1.77 1.80 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.48 4.33 0.00 1.89 1.99 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.50 7.81 228 T 7.51 4.40 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 1.22 0.00 0.00 229 G 7.33 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 0.00 0.00 0.00 230 S 8.38 4.75 0.00 4.00 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 0.00 231 A 8.49 4.13 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 0.00 232 F 7.91 4.87 0.00 3.00 3.03 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 0.00 233 Y 7.46 3.99 0.00 2.82 2.89 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 0.00 234 A 7.91 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 235 P 0.00 4.21 0.00 2.21 2.14 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.17 0.00 236 A 7.99 3.96 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 0.00 237 A 8.12 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 0.00 238 S 8.21 4.07 0.00 4.10 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 A 8.05 4.04 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 0.00 240 I 8.08 3.75 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 0.94 0.00 0.00 241 Q 8.22 3.99 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 242 M 7.97 4.16 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.64 0.00 243 A 8.22 4.25 1.46 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 0.00 0.00 244 E 8.61 3.94 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 245 S 8.24 4.09 0.00 4.12 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 0.00 246 Y 7.86 3.87 0.00 2.62 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 0.00 247 L 8.21 4.00 0.00 1.70 1.75 1.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 248 K 7.99 4.30 0.00 1.83 1.81 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 249 D 7.52 4.22 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 250 K 8.18 4.02 0.00 1.76 1.81 0.00 2.00 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.40 7.81 251 K 7.99 4.13 0.00 1.94 1.88 0.00 1.85 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.33 7.81 252 R 7.71 4.05 0.00 1.79 1.87 0.00 3.28 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 253 V 8.32 4.54 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 0.79 0.00 0.00 0.94 0.00 0.00 254 L 9.02 4.94 0.00 1.60 1.53 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 255 P 0.00 4.76 0.00 2.04 1.96 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 256 V 8.98 4.65 2.28 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 0.85 0.00 0.00 1.03 0.00 0.00 257 A 8.88 4.68 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 0.00 258 A 8.89 5.03 1.23 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 0.00 0.00 259 Q 7.66 3.87 0.00 1.27 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 260 L 8.83 4.48 0.00 1.76 1.73 1.25 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 261 S 8.82 4.83 0.00 3.94 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 0.00 262 G 8.80 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 0.00 263 Q 8.08 4.25 0.00 2.29 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.10 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 264 Y 9.40 3.21 0.00 3.24 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 0.00 265 G 8.24 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 0.00 266 V 7.88 4.50 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 1.14 0.00 0.00 1.25 0.00 0.00 267 K 7.98 5.06 0.00 1.84 1.66 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 268 D 8.52 4.76 0.00 2.87 2.88 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 0.00 269 M 7.42 5.13 0.00 2.26 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 270 Y 8.93 4.56 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 271 V 8.72 4.43 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 0.76 0.00 0.00 0.86 0.00 0.00 272 G 8.55 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 0.00 273 V 9.02 5.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.06 0.00 0.00 274 P 0.00 4.84 0.00 2.02 1.75 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.65 0.00 275 T 8.95 5.12 4.36 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 1.31 0.00 0.00 276 V 8.99 4.46 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 1.01 0.00 0.00 0.94 0.00 0.00 277 I 8.74 4.81 1.93 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 1.24 1.00 0.97 0.00 0.00 278 G 8.60 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 0.00 0.00 0.00 279 A 8.80 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 280 N 8.51 4.97 0.00 2.77 2.82 0.00 0.00 7.02 7.82 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 0.00 281 G 8.17 3.61 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 0.00 0.00 0.00 282 V 9.15 4.01 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 0.83 0.00 0.00 1.11 0.00 0.00 283 E 9.07 4.49 0.00 1.88 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 2.27 2.48 0.00 284 R 7.67 4.53 0.00 1.85 1.74 0.00 3.18 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 285 I 8.42 4.53 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 1.05 0.00 0.00 286 I 8.67 4.21 2.12 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 1.16 0.54 1.09 0.00 0.00 287 E 9.10 5.00 0.00 1.60 1.56 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 1.84 1.47 0.00 288 I 8.21 4.56 2.04 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 1.79 1.07 1.07 0.00 0.00 289 D 8.39 4.65 0.00 2.68 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 0.00 290 L 8.08 4.83 0.00 1.57 1.51 0.70 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 291 D 9.08 4.75 0.00 2.91 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 0.00 292 K 8.51 3.90 0.00 1.78 1.88 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.12 7.81 293 D 8.08 4.58 0.00 2.68 2.74 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 0.00 0.00 0.00 0.00 294 E 8.56 3.98 0.00 2.26 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 2.38 0.00 295 K 8.39 3.97 0.00 1.87 1.83 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.73 7.81 296 A 8.05 4.05 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 0.00 297 Q 8.20 3.91 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 298 F 8.44 4.03 0.00 3.09 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 0.00 299 D 8.84 4.55 0.00 2.77 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 0.00 300 K 8.07 3.99 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 301 S 7.94 4.20 0.00 3.80 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 0.00 302 V 7.87 3.33 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 0.87 0.00 0.00 0.21 0.00 0.00 303 A 8.03 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 0.00 304 S 7.93 3.97 0.00 3.88 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 0.00 305 V 7.73 3.43 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 0.86 0.00 0.00 0.91 0.00 0.00 306 A 8.48 3.83 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 0.00 307 G 8.27 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 0.00 308 L 7.48 3.88 0.00 1.83 1.60 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 309 C 7.61 3.55 0.00 2.35 1.18 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 0.00 310 E 8.11 3.89 0.00 2.14 1.95 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 2.37 2.41 0.00 311 A 8.08 4.05 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 0.00 312 C 8.00 4.30 0.00 3.43 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 0.00 313 I 7.99 4.09 2.12 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.02 0.97 0.00 0.00 314 G 7.83 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 0.00 0.00 0.00 315 I 7.20 4.39 2.05 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 1.49 0.82 0.96 0.00 0.00 316 A 8.49 4.64 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 0.00 317 P 0.00 4.75 0.00 2.22 2.14 0.00 3.93 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 318 S 8.12 4.24 0.00 4.03 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 0.00 319 L 7.83 3.84 0.00 1.77 1.47 0.98 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 320 K 7.87 4.27 0.00 1.79 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.