NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2551 8.3144 120.1325 56.1172 33.3753 174.4083 6 K 4.3429 8.3976 125.1308 52.0009 34.0682 173.9304 7 I 3.6825 9.1224 120.4241 61.4637 38.6324 175.3366 8 E 4.1117 8.7269 122.1907 59.3481 29.6074 176.6711 9 S 4.7027 7.4922 110.1265 58.2414 65.7162 173.1295 10 Y 4.4719 8.4364 115.0507 57.7335 38.2618 178.0943 11 L 3.9912 7.7501 125.6516 58.4411 42.1951 178.3685 12 D 4.5688 7.9581 114.8134 55.4197 40.6238 176.8857 13 K 4.2812 8.0276 118.9547 57.6426 32.6099 177.4203 14 L 4.2234 7.6882 118.8535 54.1296 42.2830 176.8746 15 R 4.2368 8.3131 121.9132 55.1510 29.5222 175.1129 16 I 4.3901 7.7887 126.2683 58.7768 39.2384 176.2645 17 K 3.9827 8.6401 125.1640 57.7166 32.9413 176.6237 18 E 3.7324 8.5576 120.0518 57.5048 27.2460 177.0482 19 K 4.2268 7.4754 120.2970 55.2565 31.3739 175.4152 20 D 4.8116 7.5833 123.0856 52.2470 42.9840 176.3100 21 G 3.8142 8.7409 104.7637 48.9457 0.0000 175.4149 22 E 4.0218 8.0572 120.6824 58.4640 29.7178 178.7893 23 E 4.0312 8.7064 119.5715 59.5780 29.7398 178.7445 24 R 3.9463 8.1912 118.5676 59.7048 30.0420 178.5950 25 K 4.2391 8.0561 117.8947 59.2508 31.9892 179.5199 26 I 3.7657 7.9694 120.2981 64.6621 37.0201 178.0026 27 Y 3.9477 8.2979 117.2712 61.1403 37.4779 178.7031 28 A 4.0701 8.5275 120.9198 55.0046 18.5095 179.0252 29 E 4.0546 8.5930 117.7836 59.3231 29.8378 178.8500 30 V 4.0392 7.7613 110.8447 61.7617 32.2995 176.5038 31 L 4.3436 7.7064 119.5518 53.9519 42.4245 177.0847 32 D 4.9010 8.5100 123.7419 52.2209 42.6058 177.7102 33 G 3.6387 8.4748 105.7224 47.8804 0.0000 176.0531 34 R 4.0784 8.0126 120.4698 59.1757 30.0228 179.1933 35 T 3.9710 8.0090 115.3156 66.3102 68.6449 176.1385 36 L 3.9636 8.0627 122.4508 58.3458 41.9108 179.1192 37 K 3.9921 7.9863 118.7951 59.7683 32.0927 178.7910 38 T 3.8534 7.7450 115.5212 66.7526 68.4396 176.4380 39 L 3.9754 8.2349 121.0586 57.9080 41.5689 178.8801 40 Y 3.9861 8.1495 119.2877 60.7949 38.8706 178.3700 41 K 3.8533 8.4450 119.4939 59.6182 32.1899 179.3534 42 L 4.1371 8.1716 119.1980 57.7502 41.3637 179.8540 43 S 4.3285 8.2561 116.4385 61.0072 62.5866 176.5280 44 A 3.8452 7.7401 122.3837 54.3674 18.1545 178.9682 45 K 4.1452 7.6756 114.8698 57.0002 32.4207 177.9729 46 G 3.8521 8.1382 108.4758 45.2277 0.0000 174.0882 47 Y 4.5642 8.2205 118.0658 59.5760 39.1933 175.5288 48 I 4.5023 7.7307 121.0467 60.6039 38.1128 176.7410 49 T 4.0534 9.2400 124.9107 66.1847 69.6454 173.9748 50 A 4.9660 6.8563 121.2419 51.8837 22.3056 174.5908 *52 G 4.2410 8.6849 103.3006 46.1520 0.0000 172.5273 53 G 4.1877 8.5346 111.5660 45.0073 0.0000 172.4618 54 V 3.8495 8.3161 120.1402 63.1104 31.5218 175.4377 55 I 4.2837 8.6318 129.2020 63.0399 38.4596 176.2774 56 S 4.7103 7.5865 115.4062 56.7081 65.9196 172.4705 57 T 4.7574 8.3552 116.0903 60.1667 71.2292 173.1800 58 G 4.0094 7.8879 111.6449 44.9425 0.0000 173.0494 59 K 4.0942 8.5399 119.5544 59.2193 32.5292 177.9841 60 E 4.2051 8.0796 117.1794 58.6568 29.7418 176.0180 61 A 4.8223 7.1557 117.4191 51.1102 22.4369 174.9115 62 N 5.2721 8.7799 116.7182 51.3561 42.9364 173.8517 63 V 4.9436 8.5768 120.4750 61.2970 35.2162 174.3789 64 F 5.3396 9.2222 124.8197 55.6796 43.3303 173.4920 65 Y 4.6378 9.1556 122.4967 57.4794 39.4275 174.6090 66 A 4.7430 7.0017 125.5622 50.4224 22.7736 175.2778 67 D 4.6282 9.0793 121.3265 54.3928 42.6275 176.4893 68 G 4.0765 8.6781 108.2583 45.0195 0.0000 171.1738 69 V 4.9442 8.7162 119.4244 61.1472 35.1881 175.5803 70 F 4.7855 8.5435 128.8735 57.5071 42.3287 173.8701 71 D 4.0955 8.8505 126.2272 55.2923 39.1756 174.1516 72 G 3.8714 8.1358 103.0580 45.5597 0.0000 173.7400 73 K 4.6535 7.5962 119.2494 53.1544 34.9790 173.7042 74 P 4.8662 0.0000 0.0000 63.3065 31.8379 175.9232 75 V 4.7016 8.9271 115.4434 59.7053 36.4433 174.6605 76 A 4.8484 8.5924 123.9194 50.7375 21.6330 175.8528 *78 A 4.4605 8.2375 119.8162 52.0109 19.9939 176.5668 79 V 4.3518 9.1051 123.5476 61.2743 33.3901 174.1215 80 K 4.8643 9.1652 131.1364 55.0255 34.0932 175.0666 81 I 5.0736 8.8398 129.0102 59.5405 39.6268 174.6473 82 Y 4.5958 9.2199 126.5016 57.6679 38.3786 176.8951 83 R 4.1334 8.7360 124.1347 56.4265 30.8930 177.0896 84 I 3.6406 8.6842 126.4669 64.8770 37.3913 175.9629 85 E 3.8673 8.3114 120.4546 57.1993 29.0456 178.4632 86 T 4.7915 8.0752 117.7791 58.8042 72.7637 171.6902 87 S 4.6213 8.5069 119.6198 59.5654 65.0882 175.4101 88 E 3.6129 9.5962 107.9949 61.8439 26.3854 171.6868 *89 F 3.8118 8.0106 123.6459 56.9189 35.4381 176.8092 90 D 4.3895 7.7549 123.6037 54.3515 41.8848 176.7876 91 K 3.1157 8.4465 125.4584 57.9627 32.9361 178.1136 *93 D 4.6449 8.3295 120.3957 55.4096 42.9197 177.9608 94 E 2.7661 7.2204 117.1489 58.7771 29.4942 178.5956 95 Y 4.5244 6.8847 115.0224 60.0359 38.2075 176.7822 96 L 4.3339 7.5725 118.7962 56.3533 42.0932 176.6488 97 Y 4.6399 7.4915 117.5016 59.5570 37.9621 176.8156 98 G 3.8675 9.1484 112.5430 45.4008 0.0000 172.7782 99 D 4.6690 8.1802 120.4907 52.9300 40.4011 176.7336 100 E 4.1564 8.6360 127.0826 58.7726 29.7093 178.9147 101 R 3.8177 8.2366 117.4158 57.6626 30.1912 176.6499 102 F 4.7920 7.8080 116.3745 55.6797 42.2856 173.9703 103 D 4.7456 8.7154 127.7002 53.3626 43.2895 176.9088 *105 R 4.3514 8.3979 118.6867 56.3568 31.2622 172.5744 106 R 4.7288 8.1358 113.0173 56.6536 31.1904 181.3101 107 I 4.8183 7.5421 116.7178 60.2743 40.9966 174.7468 108 S 4.8215 8.1737 117.0520 55.4405 65.7894 173.3378 109 P 4.2359 0.0000 0.0000 65.4888 31.2165 178.4968 110 K 3.8940 7.9602 119.4088 58.6256 32.5229 176.9219 111 E 4.0669 7.9566 116.9015 55.6847 29.9782 177.7814 112 K 3.5996 7.2252 121.2249 59.7632 32.3512 179.3419 113 V 2.6974 6.6668 119.5999 64.4069 30.9410 178.2734 114 F 4.5116 7.3447 118.1846 60.3150 38.6296 177.8072 115 I 3.6556 7.3947 119.1856 64.0251 36.9281 178.1663 116 W 4.2121 7.6522 119.6896 59.9985 28.6644 178.7702 117 T 3.5057 7.5782 115.5188 66.4766 67.9562 176.1182 118 E 3.0285 7.8832 121.1620 59.0931 29.4993 178.9299 119 K 4.1394 8.2250 119.7593 59.3891 32.2865 178.2085 120 E 3.9169 8.3924 120.0011 59.3336 29.4693 178.3210 121 F 3.9682 8.2026 120.5171 61.7327 39.3446 177.4849 122 R 4.0586 8.1966 117.0872 58.9376 29.8132 178.8972 123 N 4.3456 8.3613 116.8067 56.0560 38.4771 177.1574 124 L 3.8709 7.8225 120.3633 57.9168 41.7427 179.3475 125 E 3.7864 7.9347 118.3471 59.4305 28.9028 179.5134 126 R 3.8195 8.2720 118.6382 59.3746 30.1918 178.3788 127 A 3.9660 8.4769 120.8687 54.9646 18.4004 179.3515 128 K 3.8039 8.3524 118.8319 59.7083 32.0507 178.8045 129 E 4.0229 8.2042 116.0661 58.6192 29.4729 177.8726 130 A 4.4844 7.3632 118.9293 51.4510 19.2033 177.5296 131 G 3.7538 7.8491 105.7211 45.7277 0.0000 174.0202 132 V 3.7359 7.4277 119.0891 61.9999 32.1736 176.6233 133 S 4.3129 8.7895 122.5671 57.9281 61.4427 172.9362 134 V 5.1753 7.7102 117.4607 56.8318 35.8280 173.4105 135 P 4.3830 0.0000 0.0000 62.7565 31.7818 176.4579 136 Q 3.8759 9.0241 126.3793 55.3528 29.4470 174.0896 137 P 4.2099 0.0000 0.0000 62.5834 31.9903 174.5089 138 Y 4.0551 7.9968 118.4148 58.9398 39.4661 176.4743 139 T 4.4372 7.3251 111.0603 61.5162 70.9036 170.9551 140 Y 4.7837 6.6728 118.0443 55.2072 41.0028 175.0955 *142 K 3.5614 8.0709 119.1581 57.0314 32.8476 175.8697 143 N 5.2571 8.8808 126.1129 53.2611 38.5100 173.2694 144 V 4.9585 7.8440 120.0088 61.4937 34.1491 173.9228 145 L 5.0144 9.2888 129.7910 53.3060 45.1417 174.8593 146 L 5.1537 8.9701 125.8774 52.9341 44.8010 175.0754 *148 E 4.4719 8.5577 122.1326 55.8527 30.6374 174.8618 149 F 4.3188 9.2258 130.2071 58.2414 40.3110 174.6577 150 I 3.7789 8.0030 127.5659 60.8516 37.1484 175.1935 151 G 4.0472 7.2298 113.3667 46.2305 0.0000 169.7755 152 E 4.6264 8.4843 118.4857 56.2098 33.8414 175.0509 153 D 4.4830 9.4731 123.1449 55.6872 39.3135 173.3953 154 E 2.7561 8.0731 112.3548 56.4967 27.3823 174.3224 155 L 4.7550 7.7720 119.9619 52.2109 43.2508 174.4120 156 P 4.6204 0.0000 0.0000 61.9727 32.0635 176.4247 157 A 4.2526 8.2011 125.2754 51.2455 19.0122 175.8946 158 P 4.6990 0.0000 0.0000 62.9125 32.4219 176.5290 159 T 4.4508 8.8211 112.5578 60.9934 70.2034 175.7651 160 L 3.9743 8.5271 122.4418 57.8030 41.1972 180.3115 161 V 3.5761 7.0251 117.7998 64.8186 31.2721 177.8402 162 E 4.0582 7.6538 117.8493 59.2013 29.5700 179.1349 163 L 4.0578 8.2327 119.1012 55.1491 41.9204 181.4440 164 G 3.5715 8.4988 103.7550 45.9051 0.0000 177.1327 165 R 3.7671 8.7391 129.9696 58.0213 30.0778 176.6954 166 E 4.0339 8.1342 119.2907 58.4347 29.5738 178.5034 167 L 3.8415 8.1897 119.8826 57.6224 41.4041 179.0415 168 K 4.1684 7.5357 116.9218 58.4516 32.0654 177.5650 169 E 4.5100 8.0434 118.2160 55.9136 29.8299 175.5922 170 L 4.6127 7.9659 116.1111 54.9872 43.6328 175.4141 171 D 4.6851 8.3354 116.7630 55.9364 38.0070 175.3301 172 V 3.7848 7.4856 121.7822 64.2065 31.5761 178.0980 173 E 4.1660 8.1722 118.6008 59.0964 29.7309 179.0085 174 G 3.5862 8.0501 106.7274 47.3988 0.0000 175.5866 175 I 3.7192 7.7937 122.3059 64.3626 37.1382 178.1621 176 F 3.0450 7.9268 121.0606 61.0865 39.0972 176.9309 177 N 4.1202 8.0630 115.6180 55.9853 38.2593 176.9866 178 D 4.1844 8.2352 119.9481 57.2709 41.4064 178.2796 179 V 3.6806 7.7567 118.9038 66.2215 31.4988 178.1525 180 V 3.4151 7.9447 118.1217 65.8326 31.2051 177.5727 181 E 3.8694 8.1684 119.1275 59.3099 29.4557 178.5989 182 N 4.0914 8.0562 116.6198 56.1668 38.4079 177.6212 183 V 3.8208 7.9837 119.7662 65.5679 31.5064 178.0999 184 K 3.9562 8.0193 119.5509 59.6661 32.1355 178.9852 185 R 3.9211 8.1329 118.4990 59.2005 29.8515 178.8807 186 L 3.9794 8.0754 120.1270 58.1640 41.9707 178.4947 187 Y 4.2347 8.2281 120.9429 60.2663 38.6114 177.5150 188 Q 3.9846 8.3732 117.6589 57.8234 29.2567 176.7199 189 E 4.2883 7.9574 117.4668 57.9405 30.5868 177.3988 190 A 4.0373 7.9241 119.5432 52.7884 19.1375 176.6420 191 E 3.9538 7.9035 113.5134 56.7049 26.9911 173.6464 192 L 5.1634 8.1013 116.6319 53.0235 46.8636 177.2270 193 V 4.5855 8.4430 119.6324 61.3926 33.9114 173.9344 194 H 4.3069 8.9516 127.9484 55.8617 30.2358 176.0509 195 A 3.1733 8.6178 130.1800 54.8645 18.6813 177.6869 196 D 4.5850 7.0306 112.7029 53.5958 42.9272 174.2822 197 L 3.7608 8.6045 123.3858 54.5724 43.3162 175.9153 198 S 4.5042 8.6380 119.4184 57.1234 66.2925 175.1244 199 E 3.5466 8.2535 117.7260 58.4552 29.0166 178.3290 200 Y 4.1286 7.8701 117.0993 59.5676 38.4996 175.7354 201 N 4.9826 8.1667 116.4962 52.2235 38.0401 173.6790 202 I 5.1891 7.2558 117.8790 59.1300 40.5988 173.7085 *204 Y 4.8475 8.0971 121.2615 57.9115 38.5843 172.6516 205 I 4.3223 7.1034 126.4294 61.4877 40.4222 175.4496 206 D 4.5869 7.2162 118.5823 52.1689 40.4281 175.1793 207 K 4.2975 6.4020 117.1781 56.2830 34.7246 174.8178 208 V 4.0458 8.7305 113.9105 61.5059 32.1333 175.8211 209 Y 4.8985 8.4876 119.4936 56.3001 41.1030 174.4935 210 F 5.0139 9.3524 124.1222 56.4728 39.8763 176.3357 211 I 4.5706 8.3457 117.6313 60.2844 38.3886 174.6843 212 D 4.8574 7.6776 120.2935 52.4965 44.1862 176.0652 *214 G 3.9237 8.4903 111.3967 45.3564 0.0000 172.7655 215 Q 3.9512 7.5817 120.3061 56.2263 29.4213 174.1714 216 A 4.8587 7.5461 116.9968 49.6829 21.6127 177.0594 217 V 4.6027 8.4265 114.9159 59.3568 35.6031 175.7371 218 T 4.6007 8.3770 113.0689 61.3802 69.9864 175.3118 219 L 4.2211 8.5006 121.0629 57.1220 41.7684 178.6454 220 R 4.1639 7.4001 116.2462 57.3420 30.2624 176.3830 221 H 4.4631 7.9908 119.1411 55.4084 30.1877 174.0085 222 P 4.1354 0.0000 0.0000 63.1958 31.7512 177.3385 *224 A 4.5071 8.2260 121.7584 52.3832 20.5774 179.6660 225 E 3.9949 8.1145 115.5481 59.4653 29.7471 178.9507 226 S 4.1548 7.9160 114.7068 61.9040 62.9841 176.1401 227 Y 4.4253 7.7172 118.8945 60.9550 37.6782 178.0754 228 L 3.9896 8.4458 121.7042 58.4833 42.2023 179.0680 229 E 4.0899 8.3853 118.3445 59.2545 29.3043 179.2965 230 R 4.0314 8.3423 119.0437 59.4685 30.1269 178.3364 231 D 4.3631 8.2775 118.8205 57.4016 40.8472 178.9152 232 V 3.6581 8.0061 118.7601 65.9398 31.4295 178.4090 233 R 4.1273 8.3395 117.8959 59.4325 30.0174 178.4697 234 N 4.4020 8.5819 116.6879 56.7530 38.5121 177.5321 235 I 4.0960 7.9834 120.9009 64.3681 37.2402 178.6424 236 I 4.0152 8.2303 120.7714 64.3266 37.1906 178.0555 237 R 3.9077 8.4750 120.2663 59.8370 29.6071 178.1383 238 F 4.1998 8.1969 118.4942 61.3277 39.8050 176.9595 239 F 4.1365 8.8022 117.4420 59.8087 38.6416 177.9425 240 S 4.9215 8.4325 116.3272 60.8179 62.5845 176.3574 241 K 3.5174 7.0811 119.7952 58.3157 31.6635 176.8880 242 Y 4.5583 7.3825 114.7983 57.4079 38.9302 176.5342 243 G 3.9144 8.2958 108.8927 44.8960 0.0000 174.7161 244 V 3.5809 7.5930 120.4920 62.5962 32.0681 174.5623 245 K 4.7520 8.3089 125.7289 54.4979 34.5139 175.2211 246 A 4.5528 8.1241 124.5851 50.9394 22.0953 174.3681 247 D 4.8280 8.4190 119.3451 52.4899 42.2760 175.8239 248 F 3.9894 8.8910 128.9966 62.1393 39.9064 176.4566 249 E 4.0562 8.4552 119.3768 59.2006 29.8872 178.2588 250 E 4.0699 8.4111 117.8423 56.8563 29.5991 178.2894 *252 L 3.9171 8.0362 122.5884 54.9266 43.9811 178.5719 253 K 3.8213 7.9175 119.0370 59.5202 31.7810 178.0905 254 E 3.8731 7.9183 118.1456 59.4464 29.5908 178.7357 255 V 3.6704 7.5525 116.3524 65.7013 31.7478 177.3483 256 K 4.2098 7.8682 116.7920 56.1537 32.3953 177.0570 257 G 4.2631 8.4805 112.4958 45.9934 0.0000 173.1744 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 5 K 8.31 4.26 0.00 1.73 1.82 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.49 7.81 6 K 8.40 4.34 0.00 1.76 1.67 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.49 7.81 7 I 9.12 3.68 1.69 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.77 0.00 0.00 8 E 8.73 4.11 0.00 1.98 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 2.32 2.29 0.00 9 S 7.49 4.70 0.00 4.01 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 10 Y 8.44 4.47 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.75 3.99 0.00 1.71 1.68 0.99 1.31 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 12 D 7.96 4.57 0.00 2.65 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 13 K 8.03 4.28 0.00 1.94 2.00 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.59 7.81 14 L 7.69 4.22 0.00 1.67 1.53 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.31 4.24 0.00 1.82 1.81 0.00 3.11 0.00 0.00 3.44 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 16 I 7.79 4.39 1.64 0.00 0.00 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 0.64 0.49 0.54 0.00 0.00 17 K 8.64 3.98 0.00 1.78 1.76 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.50 7.81 18 E 8.56 3.73 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 2.24 2.28 0.00 19 K 7.48 4.23 0.00 1.83 1.70 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.34 7.81 20 D 7.58 4.81 0.00 2.92 2.84 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 21 G 8.74 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 22 E 8.06 4.02 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 2.42 2.33 0.00 23 E 8.71 4.03 0.00 2.31 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 2.48 2.56 0.00 24 R 8.19 3.95 0.00 1.92 2.11 0.00 3.14 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 1.66 1.70 0.00 25 K 8.06 4.24 0.00 2.09 1.89 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.52 7.81 26 I 7.97 3.77 2.19 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 1.57 0.86 0.96 0.00 0.00 27 Y 8.30 3.95 0.00 3.15 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 28 A 8.53 4.07 1.37 0.00 0.00 0.00 0.00 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0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.99 3.99 0.00 1.87 1.94 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 38 T 7.75 3.85 4.46 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 1.19 0.00 0.00 39 L 8.23 3.98 0.00 1.86 1.75 0.91 0.91 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 40 Y 8.15 3.99 0.00 3.09 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 41 K 8.45 3.85 0.00 2.09 1.84 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.71 7.81 42 L 8.17 4.14 0.00 1.82 1.75 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.26 4.33 0.00 3.76 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 44 A 7.74 3.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.24 1.86 0.00 *89 F 8.01 3.81 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.75 4.39 0.00 2.95 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 91 K 8.45 3.12 0.00 1.47 1.80 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.17 0.97 7.81 *93 D 8.33 4.64 0.00 3.00 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 94 E 7.22 2.77 0.00 1.75 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 95 Y 6.88 4.52 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.57 4.33 0.00 1.99 1.86 1.02 0.74 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 97 Y 7.49 4.64 0.00 2.84 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 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0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.91 0.00 0.00 108 S 8.17 4.82 0.00 3.92 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 0.00 109 P 0.00 4.24 0.00 2.19 2.33 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 110 K 7.96 3.89 0.00 1.68 1.80 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.39 7.81 111 E 7.96 4.07 0.00 1.98 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 0.00 2.22 2.40 0.00 112 K 7.23 3.60 0.00 1.67 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.10 0.35 7.81 113 V 6.67 2.70 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 0.17 0.00 0.00 0.99 0.00 0.00 114 F 7.34 4.51 0.00 3.16 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 0.00 115 I 7.39 3.66 1.86 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 0.86 0.57 0.00 0.00 116 W 7.65 4.21 0.00 3.11 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 0.00 117 T 7.58 3.51 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 1.33 0.00 0.00 118 E 7.88 3.03 0.00 1.84 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 2.42 2.08 0.00 119 K 8.23 4.14 0.00 1.41 1.84 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 120 E 8.39 3.92 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 121 F 8.20 3.97 0.00 2.97 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 0.00 122 R 8.20 4.06 0.00 2.06 2.03 0.00 3.46 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 123 N 8.36 4.35 0.00 2.97 2.85 0.00 0.00 6.86 6.35 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 0.00 124 L 7.82 3.87 0.00 1.65 1.53 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.93 3.79 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.75 0.00 126 R 8.27 3.82 0.00 1.94 2.04 0.00 3.09 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 1.60 1.63 0.00 127 A 8.48 3.97 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 0.00 128 K 8.35 3.80 0.00 1.94 1.78 0.00 1.49 0.00 0.00 1.64 0.00 0.00 3.29 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.48 7.81 129 E 8.20 4.02 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 130 A 7.36 4.48 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 0.00 131 G 7.85 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 0.00 132 V 7.43 3.74 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 0.55 0.00 0.00 0.86 0.00 0.00 133 S 8.79 4.31 0.00 3.60 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.71 5.18 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 0.95 0.00 0.00 0.89 0.00 0.00 135 P 0.00 4.38 0.00 1.82 2.08 0.00 3.67 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 1.98 2.01 0.00 136 Q 9.02 3.88 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.10 0.00 137 P 0.00 4.21 0.00 1.69 1.66 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 138 Y 8.00 4.06 0.00 3.06 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 0.00 139 T 7.33 4.44 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 0.33 0.00 0.00 140 Y 6.67 4.78 0.00 3.14 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0.00 200 Y 7.87 4.13 0.00 2.90 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 0.00 201 N 8.17 4.98 0.00 2.84 2.90 0.00 0.00 6.58 6.97 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 0.00 202 I 7.26 5.19 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.47 1.13 0.00 0.00 *204 Y 8.10 4.85 0.00 3.04 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 0.00 205 I 7.10 4.32 1.87 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 1.30 0.71 0.92 0.00 0.00 206 D 7.22 4.59 0.00 2.64 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 0.00 207 K 6.40 4.30 0.00 1.79 1.72 0.00 1.15 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.67 7.81 208 V 8.73 4.05 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 0.93 0.00 0.00 0.91 0.00 0.00 209 Y 8.49 4.90 0.00 2.95 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 0.00 210 F 9.35 5.01 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 I 8.35 4.57 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.88 0.00 0.00 212 D 7.68 4.86 0.00 2.71 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 *214 G 8.49 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 Q 7.58 3.95 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.71 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 216 A 7.55 4.86 1.09 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 0.00 217 V 8.43 4.60 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 0.60 0.00 0.00 1.10 0.00 0.00 218 T 8.38 4.60 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 1.27 0.00 0.00 219 L 8.50 4.22 0.00 1.62 1.76 0.47 0.91 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 0.00 220 R 7.40 4.16 0.00 1.88 2.01 0.00 3.17 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 221 H 7.99 4.46 0.00 3.37 3.32 0.00 5.78 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 0.00 222 P 0.00 4.14 0.00 2.10 2.09 0.00 3.52 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 2.05 2.09 0.00 *224 A 8.23 4.51 1.49 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 0.00 0.00 225 E 8.11 3.99 0.00 2.14 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 2.40 2.57 0.00 226 S 7.92 4.15 0.00 3.68 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 0.00 227 Y 7.72 4.43 0.00 3.17 2.86 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 0.00 228 L 8.45 3.99 0.00 1.76 1.83 0.80 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 229 E 8.39 4.09 0.00 2.25 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 230 R 8.34 4.03 0.00 2.11 2.20 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 231 D 8.28 4.36 0.00 2.92 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 0.00 232 V 8.01 3.66 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 0.84 0.00 0.00 0.82 0.00 0.00 233 R 8.34 4.13 0.00 2.24 2.05 0.00 3.17 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.14 0.00 234 N 8.58 4.40 0.00 2.93 2.94 0.00 0.00 7.11 7.11 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 0.00 235 I 7.98 4.10 2.21 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 1.79 0.92 1.21 0.00 0.00 236 I 8.23 4.02 2.07 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 1.60 1.05 1.00 0.00 0.00 237 R 8.47 3.91 0.00 2.10 2.27 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 238 F 8.20 4.20 0.00 3.21 3.13 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 0.00 239 F 8.80 4.14 0.00 3.39 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 0.00 240 S 8.43 4.92 0.00 3.97 4.29 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 0.00 241 K 7.08 3.52 0.00 1.35 0.74 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.11 1.23 7.81 242 Y 7.38 4.56 0.00 2.87 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 0.00 243 G 8.30 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 0.00 0.00 0.00 244 V 7.59 3.58 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 0.31 0.00 0.00 0.93 0.00 0.00 245 K 8.31 4.75 0.00 1.68 1.62 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.29 7.81 246 A 8.12 4.55 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 D 8.42 4.83 0.00 2.65 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 0.00 248 F 8.89 3.99 0.00 3.05 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 0.00 249 E 8.46 4.06 0.00 2.21 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 2.75 2.42 0.00 250 E 8.41 4.07 0.00 2.31 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 0.00 2.34 2.25 0.00 *252 L 8.04 3.92 0.00 1.09 1.37 0.65 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 253 K 7.92 3.82 0.00 1.84 1.98 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 254 E 7.92 3.87 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 255 V 7.55 3.67 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.83 0.00 0.00 256 K 7.87 4.21 0.00 1.84 1.82 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.35 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.08 0.85 7.81 257 G 8.48 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.