NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 P 4.3655 0.0000 0.0000 62.8765 32.3699 176.2944 53 H 4.6911 9.1551 122.9301 54.5687 31.0346 172.1667 54 L 4.7082 9.4299 125.9325 54.1704 42.6714 176.1806 55 L 4.6068 8.2140 124.6796 53.2965 42.5514 177.0779 56 E 4.1090 9.1768 122.5949 58.7680 29.7339 177.0039 57 N 4.9959 7.9540 113.1087 51.2746 42.2036 173.4993 58 S 4.9034 7.9565 115.4981 57.2731 65.2829 173.3765 59 W 5.2403 8.4988 121.9880 55.1333 33.6077 174.3495 60 T 5.2249 9.3091 118.5505 61.9146 71.9102 173.2065 61 F 5.6765 9.8614 125.7590 57.1843 40.5281 174.8562 62 W 5.3722 10.1304 123.2502 54.9722 32.8258 174.4217 63 F 5.2661 9.1867 123.6835 56.7810 42.6337 173.0578 64 D 4.6317 7.6500 125.4862 53.5455 45.1388 175.9414 65 T 3.9885 7.6136 111.9210 59.6676 70.2808 173.0359 *74 A 4.2652 8.0049 124.6847 52.4948 19.8548 176.3569 75 W 4.5407 8.5482 128.3923 56.2249 33.1760 175.2265 76 G 3.3082 6.7093 111.4999 47.4983 0.0000 174.5319 77 S 4.6100 7.7292 112.8628 57.2842 64.9620 176.8881 78 S 4.6028 7.7792 111.2908 58.7744 63.2089 172.9783 79 M 4.8549 7.5106 120.7640 54.1984 33.9935 175.1240 80 R 4.8673 8.8563 123.9204 53.6301 34.8330 172.7157 81 P 4.1523 0.0000 0.0000 62.4510 31.5508 175.8634 82 I 4.4242 8.3722 115.5783 61.2747 40.0616 175.0901 83 Y 4.4776 7.4958 119.8795 57.1570 42.0370 172.3451 84 T 5.3478 8.6040 123.4273 61.7346 70.9648 173.5077 85 F 5.5215 9.2766 121.2151 55.4164 41.3306 175.4497 86 S 5.0986 10.5060 114.8484 58.3421 65.5513 173.5253 87 T 5.0909 8.1408 109.4243 58.8512 72.2305 174.9272 88 V 3.5444 8.7289 121.5201 66.3671 31.4197 177.8705 89 E 4.1679 8.4194 117.6136 59.8326 29.2577 179.1652 90 E 4.1209 8.4753 118.3074 59.3255 29.5504 179.1271 91 F 3.0574 8.6068 120.9140 60.9812 39.2773 177.3596 92 W 4.2099 8.0282 118.0839 59.3771 28.5907 178.6921 93 S 4.0662 7.9792 114.9251 61.0329 62.4964 175.7682 94 I 3.6712 6.9002 120.5792 62.9231 38.3296 176.9548 95 Y 3.5685 7.6279 121.0546 60.5351 38.5366 177.3208 96 N 4.3751 8.1603 114.5758 54.4734 38.5210 174.9921 97 N 4.7497 7.9519 114.9544 52.8176 40.4035 175.0534 98 I 4.3883 6.8825 110.0309 60.2132 38.2788 175.0611 99 H 3.4918 7.5112 116.3816 55.9366 28.9839 174.3173 100 H 3.7565 8.4137 112.6355 57.0141 27.1808 174.6731 *108 A 4.0108 7.5413 120.4339 51.7514 20.0713 175.1814 109 D 5.1838 8.7964 122.6948 52.3753 44.2355 175.3436 110 F 5.3432 8.6218 121.4003 56.1007 41.8939 173.8529 111 Y 5.6070 9.5322 121.6564 56.6374 41.4245 175.0430 112 C 5.4184 10.3982 122.6921 58.2754 34.3463 172.4419 113 F 5.6152 9.5584 124.8626 54.9664 42.6052 175.2052 114 K 3.3518 8.8858 121.3026 56.7578 32.9737 176.0333 115 H 4.1752 8.5341 123.9168 58.1671 30.0062 175.6059 116 K 4.0193 8.8334 123.9404 56.5190 29.9952 175.9168 117 I 4.1928 7.6980 120.6724 59.9988 37.5203 175.2769 118 E 3.4483 8.4927 126.1902 54.9097 30.3478 176.5377 119 P 3.4356 0.0000 0.0000 60.8909 29.6460 175.4605 120 K 4.7342 7.1375 120.4597 55.0938 36.8603 178.0319 121 W 4.3113 8.3023 121.3070 59.7120 29.1583 177.8321 122 E 4.3094 8.1622 113.5687 56.8985 29.5957 176.2413 123 D 4.6525 7.8243 120.7729 53.0451 42.3779 174.9263 124 P 4.2951 0.0000 0.0000 65.6530 31.4361 178.0704 125 I 4.0729 8.2305 117.5932 63.1418 37.5869 177.0266 126 C 4.6194 8.0129 116.0875 60.7528 28.6389 175.4495 127 A 4.3356 8.2044 122.9453 53.9498 18.2807 177.8946 128 N 4.8960 8.1736 111.7454 52.9848 40.0527 174.4408 129 G 4.7002 6.9095 109.8008 45.0858 0.0000 171.5861 130 G 3.5870 7.2794 104.3279 46.4097 0.0000 172.5371 131 K 5.5391 6.8004 117.7229 56.1155 36.4104 174.9946 132 W 5.5856 8.8771 121.6711 55.8898 31.6130 175.2032 133 T 5.6225 8.5867 119.3684 61.8919 71.7635 173.1626 134 A 4.2899 9.7157 127.3255 49.9900 21.6959 174.6951 135 N 5.4397 8.7113 119.7965 51.7830 41.0237 174.1561 136 Y 4.9538 9.0729 119.6627 55.3304 42.5550 173.4020 137 P 4.6844 0.0000 0.0000 62.2490 32.9403 175.8328 138 K 4.0132 8.7454 123.1309 58.3277 32.3722 176.7318 139 G 3.9653 10.0284 113.9633 46.5382 0.0000 173.9191 140 K 4.5669 8.0338 115.4223 55.4233 33.2571 177.4780 141 S 3.8711 7.6054 113.4804 57.9913 63.3154 175.5045 142 D 4.4119 7.7700 123.5701 58.3628 40.7058 178.6531 143 T 3.7067 7.6874 115.3765 66.3623 67.9932 177.0208 144 S 4.2149 7.7426 116.8802 60.8253 62.9417 176.2365 145 W 4.6232 8.5612 131.6782 60.5230 30.6446 177.4646 146 L 3.5635 7.8713 120.2488 58.6343 41.5323 178.7048 147 Y 4.4878 7.9178 115.6568 60.6383 37.7004 178.5171 148 T 4.2727 7.5257 116.7144 66.4769 68.7883 176.7931 149 L 3.4368 7.3801 120.7637 57.7246 41.5182 179.6873 150 L 3.4976 7.4944 118.1667 57.2521 41.5800 179.3008 151 A 3.5328 7.5660 120.3535 54.8651 18.1066 179.6875 152 M 4.1200 7.8087 117.5508 58.5510 31.9962 179.1191 153 I 3.3879 7.1655 111.3567 63.1591 37.8412 176.9699 154 G 3.6176 7.7247 108.0358 44.8835 0.0000 173.0342 155 E 3.8843 7.8360 118.5712 57.6842 27.1204 174.9178 156 Q 4.3545 8.2304 114.3680 55.8996 30.2225 176.6632 157 F 5.0474 7.9647 118.2244 56.4023 40.1037 176.6311 158 D 4.5359 10.1730 126.2492 56.9788 41.0286 176.8053 159 H 4.9485 8.1286 116.5910 55.0240 29.9276 176.3769 160 G 4.0762 8.1027 110.8100 49.1289 0.0000 175.9680 161 D 4.4828 8.0356 117.1420 55.9533 41.5410 176.3492 162 E 4.2751 8.1912 117.7320 57.6656 30.0365 176.1609 163 I 4.1773 7.5185 121.0755 61.1302 37.9493 175.4246 164 C 4.3039 10.0558 123.2510 59.2393 29.3406 174.3685 165 G 3.3907 6.4058 106.0891 44.4400 0.0000 170.1143 166 A 5.4511 8.0782 120.3531 50.2403 23.0381 175.6524 167 V 5.0849 9.1177 117.9527 59.9923 35.5618 174.4726 168 V 4.5489 8.1744 122.4647 59.9563 33.9497 174.0574 169 N 5.1241 9.4674 123.5545 50.9047 40.2197 174.0977 170 V 4.4091 8.0717 124.9935 61.4048 32.0866 174.7794 171 R 4.7206 8.2760 131.4958 55.1214 32.7464 174.9621 172 G 3.6881 9.4970 116.1124 48.5418 0.0000 174.4291 173 R 4.8308 8.7361 117.1151 55.8138 31.2584 178.7843 174 A 4.6803 7.8003 120.1435 52.5120 23.1344 175.7608 175 E 5.2396 8.9931 117.6046 55.1948 34.4325 175.0853 176 K 5.3497 9.2685 121.5967 55.4761 36.9894 174.9284 177 I 5.2818 9.0170 121.5590 59.8870 40.7429 174.8361 178 S 5.5768 9.5084 121.7569 57.1245 67.1285 172.8742 179 I 4.7168 8.3492 124.1873 59.5736 39.2033 174.5332 180 W 5.5619 9.3376 127.4463 55.3585 31.4716 175.3669 181 T 5.1548 8.9981 113.9403 60.0561 71.8356 175.0211 182 K 3.9977 9.1194 120.7533 58.5713 33.4137 176.9300 183 N 5.0302 7.8654 117.6214 50.3874 38.8538 174.3700 184 A 3.9415 8.3902 124.9761 54.8558 18.7710 179.6055 185 S 4.3552 7.6910 108.2696 59.9953 63.7787 175.0117 186 N 4.5786 7.9589 121.4873 52.1534 37.2113 174.2480 187 E 2.9407 8.2467 126.3292 58.4049 29.9481 177.7976 188 A 3.8914 7.8149 120.1737 54.7756 18.5715 179.3431 189 A 3.4420 7.8342 118.9942 55.1965 18.4552 179.9227 190 Q 4.0019 7.7570 116.5463 58.9298 28.7260 178.9271 191 V 3.8189 7.7744 119.3779 65.6359 31.4886 178.2273 192 S 4.0335 7.7343 112.8343 61.4654 62.2996 176.1796 193 I 4.0864 7.8380 122.6085 64.3517 36.8782 178.7631 194 G 2.5540 7.8674 106.6663 47.1398 0.0000 175.8056 195 K 3.8377 7.8005 122.1257 59.3101 32.2478 179.0212 196 Q 3.7773 8.0430 118.4028 58.5653 28.7075 178.5797 197 W 4.6771 8.4824 129.5224 60.5298 30.8151 178.2890 198 K 3.8762 8.0442 118.6844 59.1943 31.5008 179.0626 199 E 4.2103 7.8494 117.6671 59.0774 29.4791 179.1088 200 F 4.5872 7.6839 118.1231 59.6973 39.0556 176.5769 201 L 4.6086 7.6741 115.7891 53.4803 42.3580 175.6745 202 D 4.3281 7.4130 116.1064 55.1112 40.2208 172.4470 203 Y 4.4290 8.4294 118.4872 56.2851 39.5740 174.4676 204 N 4.7468 8.0503 122.8971 52.9887 39.8926 174.3709 205 E 4.4360 6.7475 117.5842 54.6716 31.3316 175.7565 206 T 4.3250 8.2994 117.6494 64.1563 69.2248 174.2948 207 M 4.9325 9.2783 126.1803 53.8280 35.1932 175.0342 208 G 4.6715 8.8697 106.7858 44.5892 0.0000 171.5035 209 F 4.5050 9.1800 125.8559 56.2835 41.1046 174.4657 210 I 4.4732 7.2852 126.3846 59.2305 40.3455 174.9744 211 F 4.5478 8.2928 125.0077 57.1134 39.9544 176.6648 212 H 3.5979 8.4522 122.8536 58.6061 28.1680 177.6003 213 D 4.1977 7.7540 118.3646 56.4157 41.1604 177.2531 214 D 4.3627 7.5418 118.6762 56.6692 41.2249 178.0443 215 A 3.6273 7.4551 120.4638 55.0588 18.2377 179.4296 216 R 3.3527 6.7667 112.5357 58.3547 29.8287 177.4745 217 K 3.7313 7.4084 119.8970 58.8409 32.1460 176.7779 *221 N 4.5380 8.1140 117.0774 52.8542 40.7385 174.5750 222 A 3.9632 7.8399 121.6573 51.9794 18.9309 177.8097 223 K 4.4950 7.8876 120.9117 53.8613 35.1533 175.7722 224 N 4.4565 8.4070 117.9942 53.7715 38.7147 175.1655 225 K 3.9508 8.5042 123.4374 57.7410 33.4295 176.7628 226 Y 5.2096 7.4668 115.1476 56.3388 42.4866 174.9626 227 V 5.4694 8.7545 113.6679 59.9641 35.9296 176.1481 228 V 4.1535 8.8072 115.6223 61.6945 32.6214 175.4988 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 52 P 0.00 4.37 0.00 2.13 2.12 0.00 3.62 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 2.17 0.00 53 H 9.16 4.69 0.00 3.35 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 9.43 4.71 0.00 1.55 1.65 0.93 1.05 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 55 L 8.21 4.61 0.00 1.82 1.85 1.21 1.22 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 56 E 9.18 4.11 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 57 N 7.95 5.00 0.00 2.43 1.98 0.00 0.00 6.85 7.57 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 58 S 7.96 4.90 0.00 3.63 3.74 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 59 W 8.50 5.24 0.00 1.87 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 60 T 9.31 5.22 4.60 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 0.99 0.00 0.00 61 F 9.86 5.68 0.00 3.31 3.31 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 62 W 10.13 5.37 0.00 3.28 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 63 F 9.19 5.27 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 64 D 7.65 4.63 0.00 2.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.61 3.99 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 *74 A 8.00 4.27 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 75 W 8.55 4.54 0.00 3.19 3.01 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 0.00 0.00 0.00 76 G 6.71 3.31 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 0.00 77 S 7.73 4.61 0.00 3.59 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 78 S 7.78 4.60 0.00 3.83 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 79 M 7.51 4.85 0.00 1.71 1.79 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 80 R 8.86 4.87 0.00 1.77 1.68 0.00 3.31 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 81 P 0.00 4.15 0.00 1.47 0.49 0.00 3.43 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.03 0.00 82 I 8.37 4.42 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 0.92 0.00 0.00 83 Y 7.50 4.48 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.60 5.35 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 1.07 0.00 0.00 85 F 9.28 5.52 0.00 3.22 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 86 S 10.51 5.10 0.00 3.79 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 87 T 8.14 5.09 4.66 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 1.32 0.00 0.00 88 V 8.73 3.54 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 1.21 0.00 0.00 1.02 0.00 0.00 89 E 8.42 4.17 0.00 2.22 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 2.51 2.61 0.00 90 E 8.48 4.12 0.00 2.51 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 0.00 2.59 2.50 0.00 91 F 8.61 3.06 0.00 2.25 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 92 W 8.03 4.21 0.00 3.44 3.27 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 93 S 7.98 4.07 0.00 4.04 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 94 I 6.90 3.67 0.56 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.74 0.00 0.00 95 Y 7.63 3.57 0.00 1.68 2.33 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 96 N 8.16 4.38 0.00 2.89 2.73 0.00 0.00 6.87 8.86 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 97 N 7.95 4.75 0.00 2.57 2.67 0.00 0.00 6.69 7.49 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 98 I 6.88 4.39 1.54 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.08 0.82 0.00 0.00 99 H 7.51 3.49 0.00 2.83 2.41 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 H 8.41 3.76 0.00 3.21 3.58 0.00 5.73 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 *108 A 7.54 4.01 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 0.00 109 D 8.80 5.18 0.00 2.36 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 0.00 0.00 0.00 0.00 110 F 8.62 5.34 0.00 2.83 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.53 5.61 0.00 3.11 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 0.00 112 C 10.40 5.42 0.00 3.05 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 0.00 113 F 9.56 5.62 0.00 3.01 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 0.00 114 K 8.89 3.35 0.00 1.41 1.37 0.00 1.64 0.00 0.00 1.28 0.00 0.00 2.47 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.21 7.81 115 H 8.53 4.18 0.00 2.93 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.83 4.02 0.00 1.83 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.22 1.03 7.81 117 I 7.70 4.19 2.14 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 1.33 0.60 1.14 0.00 0.00 118 E 8.49 3.45 0.00 1.76 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 2.36 2.33 0.00 119 P 0.00 3.44 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 120 K 7.14 4.73 0.00 1.71 1.88 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.80 1.34 7.81 121 W 8.30 4.31 0.00 3.32 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.16 4.31 0.00 2.12 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 2.32 2.29 0.00 123 D 7.82 4.65 0.00 2.76 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 0.00 124 P 0.00 4.30 0.00 2.07 2.13 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 125 I 8.23 4.07 2.13 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 1.54 0.51 0.96 0.00 0.00 126 C 8.01 4.62 0.00 3.38 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 0.00 127 A 8.20 4.34 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 0.00 128 N 8.17 4.90 0.00 2.67 2.68 0.00 0.00 6.93 7.61 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 0.00 129 G 6.91 4.70 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 0.00 130 G 7.28 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 0.00 131 K 6.80 5.54 0.00 1.97 1.44 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.00 1.19 7.81 132 W 8.88 5.59 0.00 3.54 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.59 5.62 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 134 A 9.72 4.29 0.33 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 0.00 135 N 8.71 5.44 0.00 2.67 2.76 0.00 0.00 6.81 7.42 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 0.00 136 Y 9.07 4.95 0.00 2.92 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 0.00 137 P 0.00 4.68 0.00 2.16 2.04 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 138 K 8.75 4.01 0.00 1.73 1.77 0.00 1.80 0.00 0.00 2.05 0.00 0.00 3.33 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.55 7.81 139 G 10.03 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 0.00 140 K 8.03 4.57 0.00 1.96 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.55 7.81 141 S 7.61 3.87 0.00 3.65 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 0.00 142 D 7.77 4.41 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.69 3.71 4.07 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 0.53 0.00 0.00 144 S 7.74 4.21 0.00 3.67 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 0.00 145 W 8.56 4.62 0.00 3.43 3.30 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 0.00 146 L 7.87 3.56 0.00 1.74 1.55 0.78 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 7.92 4.49 0.00 3.10 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 0.00 148 T 7.53 4.27 4.60 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 1.38 0.00 0.00 149 L 7.38 3.44 0.00 1.26 1.08 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.49 3.50 0.00 1.54 1.47 1.01 0.40 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 0.00 151 A 7.57 3.53 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 M 7.81 4.12 0.00 1.36 1.62 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 153 I 7.17 3.39 1.53 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.11 -0.17 0.00 0.00 154 G 7.72 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 0.00 0.00 0.00 155 E 7.84 3.88 0.00 2.15 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 0.00 2.36 2.76 0.00 156 Q 8.23 4.35 0.00 1.59 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.74 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 157 F 7.96 5.05 0.00 3.15 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 0.00 158 D 10.17 4.54 0.00 2.72 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 0.00 159 H 8.13 4.95 0.00 3.22 3.29 0.00 5.66 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 0.00 160 G 8.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.04 4.48 0.00 2.66 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 0.00 162 E 8.19 4.28 0.00 2.14 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 2.50 2.44 0.00 163 I 7.52 4.18 2.05 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.26 0.96 0.00 0.00 164 C 10.06 4.30 0.00 3.19 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 6.41 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.08 5.45 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 0.00 167 V 9.12 5.08 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 0.86 0.00 0.00 0.08 0.00 0.00 168 V 8.17 4.55 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 -0.24 0.00 0.00 0.70 0.00 0.00 169 N 9.47 5.12 0.00 2.71 2.79 0.00 0.00 6.42 8.27 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 0.00 170 V 8.07 4.41 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 0.82 0.00 0.00 0.91 0.00 0.00 171 R 8.28 4.72 0.00 1.77 1.70 0.00 3.27 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 172 G 9.50 3.69 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 0.00 0.00 0.00 173 R 8.74 4.83 0.00 1.59 1.78 0.00 3.31 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 174 A 7.80 4.68 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 0.00 175 E 8.99 5.24 0.00 2.04 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 2.27 2.32 0.00 176 K 9.27 5.35 0.00 2.06 2.11 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.63 7.81 177 I 9.02 5.28 2.42 0.00 0.00 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 1.43 1.02 1.69 0.00 0.00 178 S 9.51 5.58 0.00 4.11 4.14 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 0.00 179 I 8.35 4.72 1.36 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 0.69 0.00 0.00 180 W 9.34 5.56 0.00 3.26 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 T 9.00 5.15 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 182 K 9.12 4.00 0.00 1.89 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.57 7.81 183 N 7.87 5.03 0.00 2.79 2.65 0.00 0.00 6.96 7.28 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 0.00 184 A 8.39 3.94 0.47 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 0.00 185 S 7.69 4.36 0.00 4.01 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 0.00 186 N 7.96 4.58 0.00 2.72 2.78 0.00 0.00 6.68 8.18 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 0.00 187 E 8.25 2.94 0.00 1.94 1.74 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 1.82 1.47 0.00 188 A 7.81 3.89 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 0.00 189 A 7.83 3.44 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 0.00 190 Q 7.76 4.00 0.00 1.58 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.32 1.90 0.00 191 V 7.77 3.82 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 0.96 0.00 0.00 0.95 0.00 0.00 192 S 7.73 4.03 0.00 4.02 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 0.00 193 I 7.84 4.09 2.15 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 1.48 0.62 0.79 0.00 0.00 194 G 7.87 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 0.00 0.00 0.00 195 K 7.80 3.84 0.00 1.88 1.73 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 196 Q 8.04 3.78 0.00 2.49 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.17 2.49 0.00 197 W 8.48 4.68 0.00 3.80 3.42 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 0.00 198 K 8.04 3.88 0.00 1.98 1.94 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.51 1.50 7.81 199 E 7.85 4.21 0.00 2.04 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 2.06 1.91 0.00 200 F 7.68 4.59 0.00 3.32 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 0.00 201 L 7.67 4.61 0.00 1.57 1.77 0.40 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 202 D 7.41 4.33 0.00 2.86 2.79 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 0.00 203 Y 8.43 4.43 0.00 2.77 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 0.00 204 N 8.05 4.75 0.00 2.55 2.70 0.00 0.00 7.10 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 0.00 205 E 6.75 4.44 0.00 1.54 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 206 T 8.30 4.32 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 1.38 0.00 0.00 207 M 9.28 4.93 0.00 2.46 2.39 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 208 G 8.87 4.67 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 0.00 209 F 9.18 4.50 0.00 1.51 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 0.00 210 I 7.29 4.47 1.57 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.67 0.00 0.00 211 F 8.29 4.55 0.00 2.92 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 0.00 212 H 8.45 3.60 0.00 2.90 2.84 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 D 7.75 4.20 0.00 2.52 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 0.00 214 D 7.54 4.36 0.00 2.73 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 0.00 215 A 7.46 3.63 0.58 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 0.00 216 R 6.77 3.35 0.00 1.84 1.29 0.00 2.95 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 0.00 217 K 7.41 3.73 0.00 1.62 1.64 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.43 7.81 *221 N 8.11 4.54 0.00 2.67 2.82 0.00 0.00 6.83 7.35 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 0.00 222 A 7.84 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 K 7.89 4.50 0.00 1.54 1.57 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.32 7.81 224 N 8.41 4.46 0.00 2.66 2.76 0.00 0.00 6.87 7.61 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 0.00 225 K 8.50 3.95 0.00 0.93 0.74 0.00 1.02 0.00 0.00 1.16 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.58 0.21 7.81 226 Y 7.47 5.21 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 8.75 5.47 2.30 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 0.87 0.00 0.00 1.05 0.00 0.00 228 V 8.81 4.15 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 0.62 0.00 0.00 0.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.