NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 A 4.3203 8.1114 123.5798 52.3130 20.8270 179.0775 44 G 3.4615 7.9018 102.2745 47.3780 0.0000 172.2638 45 E 3.9831 8.4979 122.3406 59.2118 30.0430 177.4705 46 A 4.0803 8.0521 122.9043 55.6978 18.4782 180.4074 47 R 3.9073 7.8710 118.8694 61.3206 29.4844 181.8158 48 L 4.0553 7.8755 119.4229 57.7480 41.5504 179.1754 49 E 3.9190 8.2005 119.2246 59.2933 29.5081 178.7754 50 E 4.0119 8.1057 118.3506 59.1687 29.4506 179.1069 51 A 3.5672 7.7174 120.8731 54.8910 18.3267 179.9276 52 V 3.3097 7.4557 116.5999 66.1955 31.5827 177.7245 53 N 4.3674 8.3194 116.5456 56.7722 38.3748 177.5804 54 R 3.9659 7.8963 119.1331 58.9247 30.0700 179.1470 55 W 4.5547 7.8572 118.4729 59.8155 29.0369 178.6860 56 V 3.7607 8.5174 118.6380 66.0551 31.0656 177.6868 57 L 4.1552 8.3662 120.2207 58.4004 41.9562 179.1844 58 K 4.2364 8.4780 118.3979 59.2418 31.9982 179.1195 59 F 4.0641 8.7518 121.3877 61.7381 39.3931 176.9406 60 Y 4.0342 8.2351 116.3111 60.6828 37.5686 178.4658 61 F 4.3672 8.3997 121.9301 61.6373 39.5512 176.5594 62 H 3.8212 8.2447 117.8035 59.3867 29.5335 177.1002 63 E 3.8619 7.9388 119.9852 58.9429 29.1057 179.1599 64 A 4.1214 8.3758 121.5411 55.2124 18.4680 179.7115 65 L 3.8854 7.7421 117.5747 57.7482 41.6140 179.7310 66 R 3.7925 7.8632 118.5198 59.2022 29.9535 178.4255 67 A 3.9346 8.3268 120.9154 55.1715 18.4096 179.3403 68 F 3.7303 8.6046 119.4548 61.4716 39.2424 177.3411 69 R 4.2589 8.5570 117.6478 58.6726 29.8308 177.6360 70 G 3.8767 7.5347 103.3415 43.5656 0.0000 173.5862 71 S 2.7900 7.3127 114.1432 59.1008 61.3855 174.4568 72 R 4.1364 7.3840 121.9276 55.1275 26.9238 176.3804 73 Y 4.4688 7.1414 120.0479 60.5250 38.4196 178.1021 74 G 3.6468 8.0972 106.6607 47.9657 0.0000 175.4257 75 D 4.4041 8.0831 121.2580 56.7648 40.9320 178.2023 76 F 4.1782 8.4435 121.2699 61.6272 39.3976 177.3402 77 R 3.8552 8.4897 117.5821 59.5432 30.0164 179.1775 78 Q 3.9817 8.0515 117.5714 58.9215 28.6758 178.8884 79 I 3.6279 8.2217 121.3307 64.2431 37.1611 178.3273 80 R 3.7194 8.1103 119.9251 59.5969 29.8688 178.3482 81 D 4.3415 8.0762 118.5836 57.0851 40.7824 178.8497 82 I 3.5898 7.3717 120.0458 64.6576 37.0798 178.3307 83 M 4.1049 8.0339 119.5050 58.3987 31.5033 178.6458 84 Q 3.9403 8.0296 118.7800 59.1343 29.6820 177.8930 85 A 4.1291 7.9133 121.3428 54.9792 18.3763 179.6495 86 L 4.0787 7.8354 117.6784 57.8129 41.4989 179.4468 87 L 4.1141 7.7711 117.7692 57.1652 41.5720 179.1870 88 V 3.8939 7.1969 110.2003 62.0291 31.9369 176.6443 89 R 4.3400 7.1215 117.6979 54.1340 30.9845 174.4910 90 P 4.3318 0.0000 0.0000 63.3476 31.5919 176.2262 91 L 4.5474 8.4414 121.0536 53.8766 42.4306 177.7646 92 G 4.4280 8.1918 114.0798 46.3971 0.0000 175.3477 *97 V 3.8547 7.1683 111.3758 60.5973 34.0072 176.6055 98 S 4.2177 8.1992 114.7688 61.1670 62.5950 177.3230 99 R 3.8833 7.6484 120.9189 59.1004 30.1889 178.1617 100 L 3.2467 7.8739 122.0344 58.5183 41.7624 179.6342 101 L 3.9789 7.6853 121.7899 59.6275 40.8697 181.9841 102 R 4.2157 7.8792 119.2342 58.8056 29.9832 179.4316 103 V 3.6045 8.0880 118.1349 66.4040 31.5715 177.9227 104 M 4.3583 8.0780 118.0490 58.4738 31.7963 178.5536 105 Q 3.9846 8.1584 119.5732 59.3344 29.3105 177.7104 106 C 4.0326 8.4025 119.9431 62.7560 31.5494 175.5630 107 L 3.7486 8.4130 120.6731 57.8167 40.9432 179.8689 108 S 4.4849 8.4746 115.3432 61.7107 62.5872 176.9143 109 R 4.0203 7.8343 119.5950 59.3127 30.0919 178.8562 110 I 4.0613 7.8134 119.6092 64.5513 36.9216 178.0443 111 E 3.9379 8.5148 119.3905 58.4790 29.6164 177.6668 112 E 4.5989 7.9320 115.7040 55.9516 29.8404 177.7773 113 G 4.4024 8.0409 109.7383 47.9780 0.0000 174.6865 114 E 4.0200 7.5638 117.1157 56.8932 30.2873 176.0998 115 N 4.3509 7.3614 115.6851 52.9139 40.1873 177.5142 116 L 4.2792 7.9953 117.8585 54.1651 40.9537 176.5776 *119 S 4.2680 8.2782 121.0375 58.9049 63.9456 172.3687 120 F 4.1044 8.8745 125.1013 58.7685 38.9471 175.7711 121 D 4.5441 7.8696 127.9737 51.9729 38.9747 173.0701 122 M 4.2543 8.5655 127.9978 57.2668 32.6517 177.7022 123 E 4.2082 8.0128 112.9413 57.3682 30.4656 181.7822 124 A 4.6459 7.4013 118.9245 50.9467 21.5764 175.8599 125 E 4.0605 8.8886 123.1628 58.4535 30.1354 177.4066 126 L 4.6414 7.5220 117.3735 53.5833 43.3724 177.0246 127 T 4.2003 8.6294 112.5222 60.6436 70.9101 173.9656 128 P 4.2436 0.0000 0.0000 66.2682 31.4218 179.0029 129 L 4.1039 7.9507 116.8149 57.6279 41.2143 179.1947 130 E 3.9533 7.9195 118.0474 59.5130 29.4200 179.3493 131 S 4.1906 8.1793 112.8990 61.1355 62.3287 175.9254 132 A 4.0546 8.2689 123.9616 55.0733 18.1038 179.5372 133 I 3.6198 7.7408 118.2773 64.6270 37.1793 178.2583 134 N 4.2868 7.7531 115.7465 56.4649 38.3781 177.4370 135 V 3.6011 7.8465 119.4748 66.1767 31.4654 177.7838 136 L 3.9504 8.2800 120.1539 58.1707 41.8724 178.8356 137 E 4.0114 8.1129 118.5749 59.6808 29.3769 179.2393 138 M 4.1586 8.2513 118.8238 58.2678 31.8795 178.9704 139 I 3.8723 7.9929 120.4207 64.0398 37.2022 178.1288 140 K 3.9244 8.4012 120.8843 59.9414 31.9140 178.7994 141 T 3.8940 8.0488 115.6722 66.9552 68.2845 176.5685 142 E 4.1414 8.7752 118.5885 58.2636 29.6144 178.2332 143 F 4.4289 8.6798 116.4644 55.7853 40.7851 175.7009 144 T 3.4974 7.2187 108.0583 62.6079 67.5633 171.5135 145 L 4.7527 8.0795 121.5527 53.3846 44.5240 177.4537 146 T 4.1778 8.1202 111.7292 61.2717 69.7557 175.0750 147 E 3.9742 8.7074 122.1932 59.2082 29.4145 178.6746 148 A 4.0388 7.3769 117.5281 54.4503 18.4545 179.0666 149 V 3.9226 7.3960 116.0085 64.9009 32.0069 177.4818 150 V 3.9661 7.8634 119.4025 64.8436 31.9085 177.8049 151 E 3.9090 8.1742 118.6994 61.3662 29.5395 182.8517 152 S 4.2091 7.9670 113.3702 61.4734 62.6284 176.3710 153 S 3.9392 7.6459 117.1465 61.2707 62.3862 176.5303 154 R 3.8050 7.9503 121.5655 59.4327 29.7896 178.7867 155 K 3.9834 7.9479 118.1783 59.2396 31.9310 179.2506 156 L 4.0085 7.7689 118.8580 57.8342 41.6191 179.7358 157 V 3.7406 7.7728 117.6795 66.0979 31.6587 178.0352 158 K 3.8760 7.9498 118.1531 59.6389 31.8543 179.1770 159 E 3.8600 8.5191 118.8435 59.3003 29.3548 179.2991 160 A 3.5600 7.9203 120.6952 54.7388 17.7377 179.3484 161 A 3.8866 8.2274 119.7757 55.3672 18.3532 180.1561 162 V 3.4732 7.4990 115.9683 66.2205 31.7189 178.2864 163 I 3.4526 7.5283 119.5761 64.4214 36.5564 178.5527 164 I 3.7442 7.7619 120.1490 64.4567 37.1085 177.9879 165 C 4.1803 7.6599 116.6342 62.5947 27.6538 176.2496 166 I 3.2367 7.4443 120.7858 64.2171 36.8308 178.3755 167 K 3.9044 8.1390 118.0783 59.9224 32.1708 177.0368 168 N 4.9104 7.5742 118.1231 52.6778 42.2109 176.4280 169 K 4.3038 8.0224 127.7900 56.9476 33.9249 173.7324 170 E 4.5000 7.2887 121.6395 56.6139 26.1406 177.1429 171 F 4.2499 7.9699 123.4190 60.6936 39.6965 177.9900 172 E 4.0344 8.2280 117.7132 61.1170 29.6668 182.1751 173 K 4.1339 8.0806 119.2664 59.1044 32.0943 178.7904 174 A 3.9378 7.8064 120.6899 55.5103 18.2076 179.5213 175 S 4.0966 8.4182 113.5964 62.0702 61.9979 177.1913 176 K 3.9742 8.5180 126.6064 59.9180 31.4648 181.0143 177 I 4.0788 8.4024 121.7218 63.9486 37.0777 178.3434 178 L 4.0118 8.2152 123.6245 58.7295 41.8776 179.4728 179 K 4.2427 8.0833 120.0822 57.8042 31.5135 179.1348 180 K 4.5079 7.2442 118.8879 59.0156 33.8165 176.8773 181 H 4.6633 8.1766 114.0057 57.1220 29.7351 174.9013 182 M 4.3592 7.8175 121.9617 54.4453 34.2910 176.1939 *192 R 4.3355 8.3795 117.8824 57.3284 31.8800 174.2081 193 N 4.3925 8.1617 116.4015 58.2777 37.6491 181.4421 194 D 4.5702 8.1774 120.3698 57.1721 41.1245 178.1795 195 L 3.9288 7.8127 120.2159 58.1265 42.2207 178.8434 196 L 4.0346 7.9480 118.9727 57.7330 41.4857 179.0845 197 N 4.3630 9.5660 116.6344 56.4023 38.3668 177.5873 198 I 3.6888 8.0888 121.4339 64.4243 37.0237 178.4186 199 I 3.6018 7.6880 121.9578 65.0084 36.9532 179.1721 200 R 4.1434 8.4785 123.2148 62.1402 29.4321 181.0418 201 E 4.5873 8.6977 121.2324 60.6166 30.5654 179.9044 202 K 4.5034 8.5539 127.4491 55.9674 30.3832 178.0100 203 N 4.8114 8.6555 131.3464 54.0117 41.2690 174.8939 204 L 3.2352 6.6216 109.7178 55.0074 39.8470 176.6808 205 A 4.5068 7.2467 119.1611 51.4064 20.1589 176.3693 206 H 4.5625 8.0627 117.2681 56.9363 29.6129 176.6592 207 P 4.3169 0.0000 0.0000 65.3127 31.3193 176.7489 208 V 3.7817 7.4018 117.2332 62.5486 29.6878 176.6826 209 I 3.1015 8.3803 128.4742 62.7503 38.8448 175.2010 210 Q 4.3018 8.4097 119.7222 53.3871 26.5138 181.1176 211 N 4.8754 7.2787 116.7410 53.0507 40.9107 172.5326 212 F 4.7608 7.9981 115.2775 55.8938 41.3243 175.8377 213 S 4.3944 7.7668 115.5887 56.9711 63.6682 174.4544 214 Y 3.5992 8.1912 131.1655 60.3813 38.6431 177.2181 215 E 3.9463 8.1420 119.8629 59.6414 29.8328 178.8122 216 T 3.7972 7.7465 115.7006 66.4045 68.4647 176.2644 217 F 4.1236 7.8605 122.4871 61.4874 39.3530 177.1324 218 Q 3.4979 7.9726 117.7669 59.1086 28.4839 179.0946 219 Q 4.1133 8.0536 118.8629 58.6582 28.6187 178.9410 220 K 3.9602 8.0184 119.8069 59.6016 31.9922 179.2818 221 M 3.9415 7.6926 119.0084 58.1535 31.7450 178.5680 222 L 3.7641 8.0084 122.8858 58.7186 42.2693 179.7396 223 R 3.8621 8.0815 120.6609 61.3565 29.0548 180.2655 224 F 4.2101 8.1100 120.4173 61.1898 39.8372 176.8441 225 L 3.7484 8.1597 118.8382 57.7679 41.3208 179.2695 226 E 3.9478 8.8027 119.7384 58.9435 29.3015 178.7806 227 S 4.1852 7.5665 113.2746 60.4077 63.0071 174.5310 228 H 4.8193 7.3356 117.6699 55.3529 28.7688 173.8231 229 L 4.8088 7.3521 119.5448 52.6846 44.1046 175.3304 230 D 4.6314 8.3873 119.2104 53.9729 41.7847 175.6491 231 D 4.4941 8.5903 123.9063 55.1414 41.8600 176.4516 232 A 4.0972 8.4344 122.4685 52.6379 18.8203 177.2697 233 E 4.1583 8.5146 121.5669 55.4268 30.5271 175.9352 234 P 4.5078 0.0000 0.0000 62.3245 33.4161 176.9478 235 Y 4.1080 8.7618 122.1840 61.2860 38.5202 178.9973 236 L 3.4433 7.6920 118.9890 57.2444 41.6183 179.1261 237 L 3.9737 7.8233 120.0050 58.3669 42.1828 178.8320 238 T 3.7640 7.6873 115.7037 67.0417 68.3741 176.5361 239 M 3.8344 7.7255 120.2499 57.9344 31.5803 178.7590 240 A 3.8285 7.4796 120.3018 55.0339 18.8982 179.4802 241 K 4.0172 8.0941 117.1139 59.6414 32.1232 179.8248 242 K 3.9919 8.0875 118.4023 59.1575 31.6633 179.2317 243 A 4.0191 7.6033 120.4126 54.7604 18.2875 179.1056 244 L 4.1310 7.5602 115.9029 56.5781 41.8879 177.2184 245 K 4.1490 7.6758 122.7779 56.4975 32.1230 176.4711 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 43 A 8.11 4.32 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 44 G 7.90 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 0.00 0.00 0.00 45 E 8.50 3.98 0.00 2.05 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 2.39 2.43 0.00 46 A 8.05 4.08 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 47 R 7.87 3.91 0.00 1.85 1.95 0.00 3.28 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 48 L 7.88 4.06 0.00 1.83 1.69 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.20 3.92 0.00 2.13 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 2.29 2.34 0.00 50 E 8.11 4.01 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 51 A 7.72 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.46 3.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.96 0.00 0.00 53 N 8.32 4.37 0.00 2.93 2.89 0.00 0.00 7.10 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 54 R 7.90 3.97 0.00 1.88 1.97 0.00 3.08 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 55 W 7.86 4.55 0.00 3.69 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 56 V 8.52 3.76 2.41 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 1.49 0.00 0.00 1.18 0.00 0.00 57 L 8.37 4.16 0.00 2.00 1.90 0.99 0.86 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 58 K 8.48 4.24 0.00 2.19 2.02 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.72 7.81 59 F 8.75 4.06 0.00 3.08 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 60 Y 8.24 4.03 0.00 3.29 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 F 8.40 4.37 0.00 3.27 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 62 H 8.24 3.82 0.00 3.19 3.27 0.00 5.64 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 63 E 7.94 3.86 0.00 1.97 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 1.47 1.88 0.00 64 A 8.38 4.12 1.48 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 0.00 0.00 65 L 7.74 3.89 0.00 1.58 1.52 0.44 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.86 3.79 0.00 1.83 1.98 0.00 3.07 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 67 A 8.33 3.93 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 68 F 8.60 3.73 0.00 3.22 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 69 R 8.56 4.26 0.00 1.99 2.03 0.00 3.26 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 70 G 7.53 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 71 S 7.31 2.79 0.00 3.75 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.38 4.14 0.00 1.83 1.96 0.00 3.29 0.00 0.00 3.11 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 73 Y 7.14 4.47 0.00 3.03 3.09 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 74 G 8.10 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.08 4.40 0.00 2.89 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 76 F 8.44 4.18 0.00 3.32 3.40 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 77 R 8.49 3.86 0.00 2.13 2.01 0.00 3.26 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.16 0.00 78 Q 8.05 3.98 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 79 I 8.22 3.63 1.94 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 1.50 0.88 1.09 0.00 0.00 80 R 8.11 3.72 0.00 1.15 1.81 0.00 3.19 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 1.48 1.57 0.00 81 D 8.08 4.34 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.37 3.59 1.66 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 0.36 0.00 0.00 83 M 8.03 4.10 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.71 0.00 84 Q 8.03 3.94 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 85 A 7.91 4.13 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 86 L 7.84 4.08 0.00 1.98 1.77 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.77 4.11 0.00 1.77 1.74 0.98 0.97 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 88 V 7.20 3.89 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 0.79 0.00 0.00 1.02 0.00 0.00 89 R 7.12 4.34 0.00 1.96 1.95 0.00 3.34 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 90 P 0.00 4.33 0.00 2.15 2.05 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 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0.00 103 V 8.09 3.60 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 1.10 0.00 0.00 1.10 0.00 0.00 104 M 8.08 4.36 0.00 2.23 2.32 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 2.79 3.13 0.00 105 Q 8.16 3.98 0.00 2.42 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 106 C 8.40 4.03 0.00 3.13 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 0.00 107 L 8.41 3.75 0.00 1.91 1.20 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.47 4.48 0.00 4.21 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 R 7.83 4.02 0.00 2.00 2.28 0.00 3.37 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 110 I 7.81 4.06 2.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.80 0.00 0.00 111 E 8.51 3.94 0.00 2.14 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0.00 138 M 8.25 4.16 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.61 0.00 139 I 7.99 3.87 1.98 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 1.33 0.93 0.21 0.00 0.00 140 K 8.40 3.92 0.00 1.84 2.03 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.62 7.81 141 T 8.05 3.89 4.49 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 1.24 0.00 0.00 142 E 8.78 4.14 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 143 F 8.68 4.43 0.00 3.03 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 0.00 144 T 7.22 3.50 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 1.22 0.00 0.00 145 L 8.08 4.75 0.00 1.68 1.63 0.73 0.56 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 0.00 146 T 8.12 4.18 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 1.24 0.00 0.00 147 E 8.71 3.97 0.00 2.12 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 2.38 2.44 0.00 148 A 7.38 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 7.40 3.92 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.00 0.00 0.00 150 V 7.86 3.97 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 1.02 0.00 0.00 1.08 0.00 0.00 151 E 8.17 3.91 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 152 S 7.97 4.21 0.00 3.85 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 0.00 153 S 7.65 3.94 0.00 3.08 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 0.00 154 R 7.95 3.80 0.00 1.94 2.03 0.00 3.08 0.00 0.00 3.16 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0.00 1.03 0.00 0.00 0.94 0.00 0.00 163 I 7.53 3.45 1.07 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.19 0.22 0.00 0.00 164 I 7.76 3.74 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.87 0.87 0.00 0.00 165 C 7.66 4.18 0.00 3.05 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 0.00 166 I 7.44 3.24 1.91 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 1.48 0.54 0.94 0.00 0.00 167 K 8.14 3.90 0.00 1.73 1.82 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.65 7.81 168 N 7.57 4.91 0.00 2.67 2.68 0.00 0.00 6.78 8.93 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 0.00 169 K 8.02 4.30 0.00 1.84 1.67 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.07 7.81 170 E 7.29 4.50 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 171 F 7.97 4.25 0.00 3.15 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 0.00 172 E 8.23 4.03 0.00 1.97 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 2.31 1.97 0.00 173 K 8.08 4.13 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.51 7.81 174 A 7.81 3.94 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 0.00 175 S 8.42 4.10 0.00 3.94 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 0.00 176 K 8.52 3.97 0.00 1.75 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.36 7.81 177 I 8.40 4.08 1.99 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 1.61 0.87 0.95 0.00 0.00 178 L 8.22 4.01 0.00 1.74 1.90 0.91 0.39 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 0.00 179 K 8.08 4.24 0.00 1.88 1.70 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.32 7.81 180 K 7.24 4.51 0.00 1.93 1.83 0.00 1.15 0.00 0.00 1.36 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.48 7.81 181 H 8.18 4.66 0.00 3.17 3.31 0.00 5.69 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 0.00 182 M 7.82 4.36 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 *192 R 8.38 4.34 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 193 N 8.16 4.39 0.00 2.72 2.85 0.00 0.00 6.54 8.07 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 0.00 194 D 8.18 4.57 0.00 2.77 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 0.00 195 L 7.81 3.93 0.00 1.74 1.89 0.94 0.67 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 0.00 196 L 7.95 4.03 0.00 1.89 1.69 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 197 N 9.57 4.36 0.00 2.90 2.86 0.00 0.00 7.03 7.20 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 0.00 198 I 8.09 3.69 1.85 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 1.47 1.14 0.88 0.00 0.00 199 I 7.69 3.60 2.01 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 1.38 0.76 0.91 0.00 0.00 200 R 8.48 4.14 0.00 1.86 1.84 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 201 E 8.70 4.59 0.00 2.02 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 2.26 2.20 0.00 202 K 8.55 4.50 0.00 1.76 1.70 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.40 1.37 7.81 203 N 8.66 4.81 0.00 2.71 2.67 0.00 0.00 7.12 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 0.00 204 L 6.62 3.24 0.00 1.41 1.50 0.71 0.79 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 0.00 205 A 7.25 4.51 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 206 H 8.06 4.56 0.00 3.59 3.62 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 P 0.00 4.32 0.00 2.09 2.22 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 208 V 7.40 3.78 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 0.00 209 I 8.38 3.10 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 1.29 0.84 0.90 0.00 0.00 210 Q 8.41 4.30 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 211 N 7.28 4.88 0.00 2.65 2.75 0.00 0.00 7.27 7.02 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 0.00 212 F 8.00 4.76 0.00 3.12 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 0.00 213 S 7.77 4.39 0.00 3.79 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 0.00 214 Y 8.19 3.60 0.00 3.26 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 E 8.14 3.95 0.00 2.16 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 2.46 0.00 216 T 7.75 3.80 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 1.17 0.00 0.00 217 F 7.86 4.12 0.00 2.71 2.64 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 0.00 218 Q 7.97 3.50 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 219 Q 8.05 4.11 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 220 K 8.02 3.96 0.00 1.96 1.81 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 221 M 7.69 3.94 0.00 1.77 1.83 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 1.78 1.99 0.00 222 L 8.01 3.76 0.00 1.58 1.78 0.60 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 223 R 8.08 3.86 0.00 1.85 1.93 0.00 3.33 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 224 F 8.11 4.21 0.00 2.94 3.26 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 0.00 225 L 8.16 3.75 0.00 1.73 1.60 0.79 0.96 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 0.00 226 E 8.80 3.95 0.00 2.13 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 2.24 2.24 0.00 227 S 7.57 4.19 0.00 3.90 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 0.00 228 H 7.34 4.82 0.00 3.10 3.42 0.00 5.62 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 L 7.35 4.81 0.00 1.64 1.72 1.05 1.75 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 0.00 230 D 8.39 4.63 0.00 2.68 2.62 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 0.00 231 D 8.59 4.49 0.00 2.68 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 0.00 232 A 8.43 4.10 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 0.00 233 E 8.51 4.16 0.00 1.96 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 2.30 2.32 0.00 234 P 0.00 4.51 0.00 2.30 2.10 0.00 3.43 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 235 Y 8.76 4.11 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 L 7.69 3.44 0.00 1.59 1.00 0.80 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 237 L 7.82 3.97 0.00 1.92 1.80 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 238 T 7.69 3.76 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 1.15 0.00 0.00 239 M 7.73 3.83 0.00 1.65 1.55 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 1.66 1.30 0.00 240 A 7.48 3.83 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 0.00 241 K 8.09 4.02 0.00 1.90 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.58 7.81 242 K 8.09 3.99 0.00 1.86 1.80 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.59 7.81 243 A 7.60 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 L 7.56 4.13 0.00 1.76 1.72 0.90 1.06 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 0.00 245 K 7.68 4.15 0.00 1.87 1.69 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.