NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.7361 8.3577 114.6940 58.3240 64.0799 173.7546 4 R 4.6054 8.7912 116.7605 52.9056 32.5495 177.8763 5 A 4.4243 8.5810 123.9442 54.9414 19.3474 179.0649 6 E 4.2867 8.1143 111.8187 58.2169 30.2039 177.6257 7 D 4.3197 8.5562 120.4296 56.0085 41.1718 175.4747 8 Y 4.9728 7.6145 115.6772 55.7898 40.8216 174.3140 9 E 4.5520 8.8759 124.2994 54.1647 31.8965 175.1255 10 V 3.4577 8.2675 127.6954 63.2247 31.6550 175.1430 11 L 4.3790 8.6763 130.2334 56.3982 41.4657 176.3043 12 Y 4.9409 6.6878 114.6757 55.9470 41.5903 173.1373 13 T 4.3947 8.6430 117.8557 64.2385 68.8439 174.4266 14 I 4.2655 9.1956 129.0275 63.2828 37.5506 176.2377 15 G 4.3751 7.9160 106.4457 45.0213 0.0000 170.9161 16 T 4.8876 8.4367 117.8719 62.6693 70.7623 174.3431 *19 Y 4.6930 8.5979 124.5898 54.5710 39.7457 172.6163 20 G 4.1904 7.1320 108.0068 45.8392 0.0000 171.8093 21 R 4.5609 7.9300 122.6582 55.8083 32.0449 175.5431 22 C 5.5145 9.3555 126.1697 57.8480 34.5453 172.5699 23 Q 4.9834 9.0905 123.7556 53.9773 33.2376 173.9620 24 K 4.5083 8.6022 124.8973 55.6696 33.5075 175.6683 25 I 4.7096 8.5459 120.2096 58.8730 41.6901 173.8992 26 R 4.8880 8.5396 123.7889 54.2880 32.8460 174.5975 27 R 4.1221 8.8543 127.9103 56.1187 30.4915 177.2099 28 K 4.0054 8.7403 127.4919 59.7384 32.1760 178.7201 29 S 4.1969 8.2287 113.8726 60.8637 62.6319 174.7744 30 D 4.6693 7.7487 116.1211 51.4286 40.4282 176.3166 31 G 3.7872 8.6237 108.4117 45.5164 0.0000 173.4065 32 K 4.0453 7.9149 121.5806 56.2143 33.2355 175.9480 33 I 4.3677 8.2258 128.3832 61.0409 38.1896 175.0178 34 L 4.8970 8.9430 126.1246 53.5928 46.8000 175.1933 35 V 4.8858 8.6724 111.3973 59.7241 36.2486 175.0579 36 W 6.2331 8.7492 118.3356 53.6655 32.3948 173.7167 37 K 5.1501 8.7044 121.1395 54.7499 34.2295 174.3843 38 E 4.4229 9.3440 128.0363 55.5163 31.1539 175.3596 39 L 4.7273 8.8753 125.1172 52.9470 44.5377 175.8231 40 D 4.7425 8.6654 125.1613 53.2960 39.5136 175.1697 41 Y 4.4218 7.8876 122.3613 56.8522 38.5681 178.0888 42 G 3.5843 7.4672 110.1265 47.6069 0.0000 174.4211 43 S 4.6197 7.9138 111.5847 58.0663 62.4934 173.1416 44 M 4.8029 8.3691 118.0088 53.2033 33.5523 176.5661 45 T 4.4570 8.2788 114.5204 61.4689 71.8662 176.2393 46 E 4.0688 8.5868 119.1046 60.5605 29.5281 177.3589 47 A 4.1640 7.8537 119.2425 55.8053 18.5609 179.4121 48 E 3.9511 8.0926 117.0837 59.5132 29.5140 179.8250 49 K 4.0365 8.3236 121.0842 59.8377 31.9316 180.0757 50 Q 4.0730 7.9584 123.3780 61.1302 28.0386 182.3427 51 M 4.3116 7.9294 121.9552 59.1629 31.2585 180.4359 52 L 4.2186 7.8993 122.7141 58.7839 42.2081 180.2595 53 V 3.6563 7.8645 119.7097 66.0581 31.8306 180.9182 54 S 4.4285 7.9047 117.9189 61.6618 62.2151 177.0242 55 E 4.0814 8.1265 122.2053 60.7870 29.6421 182.9570 56 V 3.8232 7.5530 118.3739 65.3738 31.3637 177.9256 57 N 4.3086 7.9091 115.7780 55.8562 38.7689 176.7068 58 L 4.1737 7.4809 118.3506 56.6078 40.8190 179.0577 59 L 4.0621 7.4055 121.2115 58.0070 41.3101 179.9796 60 R 3.6562 7.1880 121.7775 61.1310 29.2494 182.5585 61 E 4.5367 7.3368 115.3159 60.6261 30.0567 181.5621 62 L 3.9768 7.0077 123.1385 55.6535 41.3541 178.1754 63 K 4.4817 8.3856 126.0964 53.0388 33.0040 172.0483 64 H 4.8753 8.2060 123.7394 53.1330 32.8931 172.7498 65 P 4.2264 0.0000 0.0000 65.1085 31.4981 176.8876 66 N 5.1222 8.2173 112.8382 51.9548 38.9323 173.3427 67 I 4.9314 7.4723 119.6252 58.9358 39.7378 175.6966 68 V 3.6845 8.7587 127.2722 63.8130 31.9801 175.3695 69 R 4.0978 9.7206 129.3746 56.0984 31.1709 174.2517 70 Y 4.6299 8.5105 127.9486 57.4292 39.3423 173.8039 71 Y 4.3782 8.8055 124.9807 59.4945 38.6756 175.2366 72 D 4.7851 7.1830 116.5430 52.5256 45.7880 173.5331 73 R 5.1212 8.4974 117.2245 54.6831 32.1177 174.2705 74 I 4.5710 9.0052 125.6352 59.4835 39.5387 174.8873 75 I 4.6347 8.4615 127.7191 60.3092 39.1890 175.6781 76 D 4.7505 9.0370 127.0826 52.7920 41.6360 176.4336 77 R 4.1338 8.6692 122.8120 58.6938 29.5328 177.9340 78 T 3.8519 7.9572 114.4161 67.8813 68.6624 174.7288 79 N 4.6291 8.0300 116.9262 51.3841 38.5451 177.3400 80 T 3.3546 7.0954 107.7617 63.0300 68.3414 171.8455 81 T 4.5111 7.6794 116.4844 62.3364 72.3037 174.3974 82 L 4.9867 8.7121 128.1844 53.5481 44.6024 174.4463 83 Y 4.8531 8.8603 124.0781 56.3065 40.6632 174.8038 84 I 4.7070 8.5652 126.6279 60.1000 38.8516 175.1356 85 V 4.8287 8.7675 129.1943 62.0416 32.9453 174.8068 86 M 5.4524 9.3490 124.9419 52.9849 35.3076 174.2987 87 E 4.7315 8.9239 117.7583 56.8153 30.5878 175.8947 88 Y 4.4564 8.6670 122.4748 56.9206 39.9034 174.3621 89 C 4.5608 7.8297 125.7633 57.3896 27.4622 173.7682 90 E 3.4039 7.4658 123.1788 57.9803 29.2163 179.5404 91 G 3.7554 8.1588 106.7225 45.4584 0.0000 175.2148 92 G 3.8801 8.0875 109.8288 45.3862 0.0000 172.5721 93 D 4.9799 8.1331 118.5867 51.7658 42.9326 177.0766 94 L 4.1176 8.3050 119.6822 57.4163 41.4080 179.4806 95 A 3.9554 7.8792 120.6389 55.5680 18.1312 179.7022 96 S 4.0655 7.7487 112.6108 61.5848 62.8797 177.0099 97 V 3.5658 7.3898 119.4975 66.2015 31.2779 178.1231 98 I 3.7401 8.2142 119.7543 64.7334 37.0170 178.5973 99 T 3.8618 8.3193 116.9820 66.5432 68.2563 176.6812 100 K 4.0638 8.8696 122.4173 59.2851 32.0631 179.1831 101 G 3.5548 8.1593 106.2809 47.7716 0.0000 175.8424 102 T 3.8504 8.0185 120.6458 66.9228 68.3014 177.3293 103 K 3.9751 7.5893 123.5873 59.9116 31.9077 180.1554 104 E 4.4544 7.6738 115.9827 55.4080 29.4236 176.9389 105 R 3.6791 7.2600 116.5554 56.8776 28.4160 175.3051 106 Q 4.4723 7.4654 117.8766 54.2563 30.6887 174.9086 107 Y 4.5790 8.1742 122.7279 57.3860 38.9098 175.4811 108 L 4.3052 8.5483 122.9006 54.3761 42.7690 177.5161 109 D 4.5716 8.6195 121.7155 54.4067 42.5651 177.5146 110 E 4.1933 9.0521 123.6177 59.6689 29.6962 179.1152 111 E 4.0519 8.2983 118.2479 59.2676 29.5583 178.9268 112 F 4.2632 8.1585 120.2816 61.2723 39.5430 177.1398 113 V 3.2818 7.8632 117.9203 66.0128 31.1873 178.0003 114 L 3.7978 8.0520 118.7403 57.5400 41.2503 179.7231 115 R 3.9701 7.6340 117.8805 59.2393 30.0372 179.1324 116 V 3.3417 7.2891 117.8269 66.0780 31.4674 177.3869 117 M 3.8356 7.8994 117.8803 59.0733 32.0855 178.1384 118 T 3.7572 7.9333 115.7052 66.9949 68.7711 176.6985 119 Q 4.0603 8.2068 119.6852 58.5631 28.6943 178.5166 120 L 4.0826 8.3320 120.5990 57.6920 41.5749 179.5017 121 T 3.8673 7.9606 116.0348 66.4999 68.4563 176.8378 122 L 4.0155 7.9739 120.6486 57.2978 41.5823 179.4394 123 A 3.8219 7.7887 120.8693 55.0105 18.3832 179.6009 124 L 3.7572 7.9646 117.5574 57.9089 41.6599 179.3908 125 K 3.7921 8.1893 119.8472 59.8499 31.7055 178.2081 126 E 3.9076 7.6385 117.8299 59.4170 29.5786 178.1982 127 C 4.2745 8.0093 116.8048 63.1777 27.9310 175.8756 128 H 4.3143 8.5164 117.3265 58.8132 28.3490 177.5957 129 R 4.0441 7.7217 119.4352 58.6697 30.7497 177.4621 130 R 4.4359 7.3819 118.6327 54.0998 29.1113 175.5474 131 S 4.3100 7.8626 124.0841 58.1323 67.0192 178.1102 *142 L 4.0722 8.6780 135.0000 56.0366 41.5624 174.9823 143 K 4.4244 8.0022 123.4535 54.8214 35.3698 174.8292 144 P 4.1834 0.0000 0.0000 65.9030 31.2666 178.3844 145 A 4.7644 7.7004 117.7657 53.4424 18.7323 177.2154 146 N 5.0543 8.4283 113.5425 52.5602 40.5566 173.9249 147 V 4.8170 7.3147 119.1624 61.1545 34.4697 174.5737 148 F 5.4345 9.8283 126.5456 55.6463 43.0703 174.0695 149 L 5.3783 8.9175 120.2557 53.4290 44.7709 176.6318 150 D 4.9185 8.4383 124.5209 52.3074 41.7322 176.2014 151 G 3.8592 8.6413 106.2047 47.4883 0.0000 174.2132 152 K 4.5377 7.9517 119.0648 56.3370 32.8836 176.2999 153 Q 3.7698 8.3981 114.0693 56.8954 26.2784 173.1274 154 N 5.0016 8.5428 115.9111 52.4976 40.2908 174.1734 155 V 4.8945 9.7068 123.2177 61.2126 34.0802 174.6043 156 K 4.8969 9.3928 126.6215 54.5808 36.2686 175.1453 157 L 4.9089 9.1717 126.9758 54.4594 43.7768 175.5677 158 G 4.7298 8.8872 111.6461 44.6389 0.0000 171.9168 159 D 4.4597 8.7894 123.6681 52.3694 40.2649 176.3408 *178 G 3.6015 8.4505 112.1669 45.3528 0.0000 171.8486 179 T 3.9111 8.1404 123.2610 62.1494 69.6405 174.9187 180 P 4.6019 0.0000 0.0000 61.0925 30.0184 176.3099 181 Y 4.3140 7.7266 117.6625 61.2077 38.5739 177.5695 182 Y 4.7420 8.3123 115.0943 57.9426 38.2854 174.3972 183 M 4.3312 8.0466 121.6380 55.0290 32.9515 176.4068 184 S 2.7900 8.2680 120.4728 56.6001 64.4039 173.1109 185 P 3.8613 0.0000 0.0000 65.7163 30.9429 178.6315 186 E 4.1327 7.7732 117.7067 59.2247 29.6571 178.6171 187 Q 4.2568 7.5589 119.9021 58.0199 28.4129 181.3516 188 M 4.6793 7.2804 114.6873 56.7171 32.0623 175.4021 189 N 4.9027 8.0024 114.2072 54.7494 43.1006 178.5919 190 R 4.4175 7.4452 125.5438 55.9287 30.1773 179.6395 *194 N 4.4551 8.8826 127.6544 54.1698 39.6633 174.3462 195 E 3.9703 8.6515 125.1814 59.2522 29.7550 179.2170 196 K 4.1946 8.2193 117.6679 58.8788 32.1396 179.2336 197 S 4.3338 7.9133 115.7994 61.5491 62.6193 176.2216 198 D 4.4857 8.1130 121.7546 57.3276 40.5507 178.7609 199 I 3.7559 7.7566 120.0178 63.9278 37.0416 178.0172 200 W 4.4789 8.0898 130.0803 60.1797 30.6234 178.1087 201 S 4.2321 8.2812 115.0053 61.6012 62.2297 176.5513 202 L 4.0078 8.4486 123.4591 58.0394 41.8831 178.9228 203 G 3.5144 8.2904 105.9915 48.3149 0.0000 175.3650 204 C 3.5731 7.6399 119.1845 61.7908 27.9159 176.0301 205 L 4.1400 7.2925 123.2497 57.6998 41.8438 178.9744 206 L 3.8287 8.0100 119.3300 57.8146 41.4825 178.8882 207 Y 3.5782 7.6036 119.3412 60.6400 38.7873 177.9207 208 E 5.0396 8.1410 121.1863 58.5182 29.4399 178.7426 209 L 4.0583 7.4761 118.7988 57.6649 41.6877 178.9018 210 C 3.8281 7.6044 116.7794 61.7779 28.6428 175.4765 211 A 4.1513 7.9829 120.7575 51.6828 18.1486 178.1267 212 L 3.7667 7.8155 115.6832 55.1552 40.2016 173.9944 213 M 4.8058 7.4156 114.0496 53.0722 34.1933 172.7292 214 P 4.5936 0.0000 0.0000 61.5392 32.2491 174.9667 215 P 2.9700 0.0000 0.0000 64.4540 30.8707 176.6750 216 F 4.8751 7.6883 117.0577 55.3573 41.0596 174.4770 217 T 4.8703 8.0538 114.9642 60.0308 71.3035 172.9911 218 A 4.4897 7.7659 121.9627 52.6969 21.5206 176.5425 219 F 4.6309 8.8359 118.2410 58.5306 39.8212 177.2363 220 S 4.8681 7.7080 114.7093 55.8843 67.1401 174.6946 221 Q 3.9707 8.6686 125.6532 59.5617 28.8457 179.2626 222 K 4.0441 7.9526 124.6814 59.2670 31.5819 183.1371 223 E 4.0882 8.3011 120.1366 59.1566 29.5764 178.4572 224 L 3.9621 8.1948 120.5218 58.2917 42.2325 178.6473 225 A 3.9762 8.1360 120.6310 55.1048 17.7216 179.5981 226 G 3.6425 7.9396 104.0155 48.1812 0.0000 175.9935 227 K 4.1000 8.0981 121.5590 58.9911 31.8493 179.5502 228 I 2.7045 7.5303 119.2749 64.1726 37.0450 178.4674 229 R 3.9786 7.5626 117.0550 58.5147 28.8926 178.1790 230 E 4.1789 7.9365 118.7555 56.6949 29.3323 177.8539 231 G 4.3183 7.7684 105.1581 46.0818 0.0000 173.0235 232 K 4.3260 7.5150 118.6231 54.5453 33.7293 175.7807 233 F 4.7094 7.0492 115.4063 55.7173 40.2018 173.9930 234 R 4.1980 8.3870 120.4625 55.6617 30.6070 176.8816 235 R 4.1048 8.2188 120.4252 55.8266 30.7166 176.5593 236 I 3.4221 7.3049 117.1047 59.6531 38.3793 174.0581 237 P 4.0089 0.0000 0.0000 63.2657 31.5061 177.0292 238 Y 4.3263 8.2490 117.6208 59.4526 38.1045 177.3304 239 R 3.9222 7.6259 116.1351 58.3708 30.1868 176.4764 240 Y 4.6717 7.3483 117.2053 56.6917 39.1566 175.4093 241 S 4.5029 8.7743 119.0792 58.3188 65.1682 175.3543 242 D 4.4094 8.6574 122.7127 57.5596 40.5174 178.9805 243 E 3.9457 8.1250 118.6707 59.2696 29.5362 178.9682 244 L 3.8565 7.7380 119.7626 58.1954 42.1564 178.3925 245 N 4.1749 8.1421 116.9887 56.5258 38.7260 176.2416 246 E 3.8921 8.5262 121.0683 59.4004 29.7750 178.7494 247 I 3.6348 7.5067 118.0887 64.1249 37.8450 177.7801 248 I 3.5779 7.3962 119.5345 64.6995 37.3130 178.1989 249 T 4.1297 8.0935 116.5476 66.8011 68.4313 176.8976 250 R 4.0011 8.2515 120.0930 59.6015 30.0300 179.0679 251 M 4.2029 8.1724 118.3267 57.5072 31.5691 177.6009 252 L 3.7576 7.0105 117.1636 53.2471 42.3579 176.1948 253 N 4.6757 7.4261 117.8719 53.5751 39.4388 175.3677 254 L 4.0927 8.6933 124.4137 57.0355 42.2975 177.2820 255 K 3.9905 8.3061 119.4530 54.4586 32.2707 176.7530 256 D 4.4449 8.5942 125.3323 56.6169 39.0343 178.1547 257 Y 4.4214 7.2030 114.7849 58.3563 38.3439 175.6195 258 H 4.8116 7.9769 117.5101 56.8456 29.6208 175.9946 259 R 4.3790 7.4755 118.8428 54.9908 30.4858 174.7291 260 P 4.6718 0.0000 0.0000 62.4997 32.2637 177.0606 261 S 4.4459 9.0640 116.8502 57.7662 65.1434 175.3629 262 V 3.5606 8.4546 121.5219 66.5342 31.1104 178.0062 263 E 3.9556 8.1104 117.3512 59.6563 29.2578 179.1358 264 E 4.3407 7.7819 118.2795 58.6714 29.7667 179.3325 265 I 3.8711 7.9489 120.3027 64.4269 37.0126 178.4467 266 L 4.1114 7.5589 118.0299 57.3883 41.3730 178.8890 267 E 4.1802 8.1345 117.6432 56.9917 29.4475 176.3713 268 N 4.5383 7.5806 119.4558 52.8673 39.3339 173.8366 269 P 4.2984 0.0000 0.0000 65.1630 31.7419 177.6036 270 L 4.0707 8.2255 118.0942 57.2418 41.6572 177.4281 271 I 4.0411 7.8637 120.3980 60.5111 37.3234 175.0672 272 L 4.8610 8.4211 124.5172 52.1872 45.1438 177.1675 273 E 3.9318 8.8443 119.8871 59.8493 29.4166 178.3550 274 H 4.4708 8.1332 111.5798 57.8176 28.8050 175.8374 275 H 4.3417 7.6648 116.9104 58.2048 28.7404 175.2536 276 H 4.5537 8.0313 117.0699 54.6228 29.5807 174.4883 277 H 4.6184 8.3760 115.7692 56.1197 28.9866 174.6852 278 H 4.7248 8.7546 117.8603 54.4862 32.5213 173.4996 279 H 4.4678 8.8554 120.1355 56.2023 28.5727 175.2357 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 3 S 8.36 4.74 0.00 3.91 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 4 R 8.79 4.61 0.00 1.74 1.73 0.00 3.34 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 5 A 8.58 4.42 1.08 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 6 E 8.11 4.29 0.00 2.10 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 2.29 2.32 0.00 7 D 8.56 4.32 0.00 2.26 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 0.00 0.00 0.00 0.00 8 Y 7.61 4.97 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.88 4.55 0.00 1.90 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 2.14 2.17 0.00 10 V 8.27 3.46 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 0.79 0.00 0.00 0.92 0.00 0.00 11 L 8.68 4.38 0.00 1.17 1.54 0.66 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 6.69 4.94 0.00 3.01 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 13 T 8.64 4.39 4.35 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 1.36 0.00 0.00 14 I 9.20 4.27 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 1.07 0.00 0.00 15 G 7.92 4.38 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 0.00 16 T 8.44 4.89 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 *19 Y 8.60 4.69 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 20 G 7.13 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.93 4.56 0.00 2.02 1.96 0.00 3.24 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 22 C 9.36 5.51 0.00 3.06 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 23 Q 9.09 4.98 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 24 K 8.60 4.51 0.00 1.27 0.78 0.00 0.89 0.00 0.00 0.72 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.73 0.50 7.81 25 I 8.55 4.71 1.20 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.35 -0.57 0.00 0.00 26 R 8.54 4.89 0.00 1.68 1.66 0.00 3.01 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 27 R 8.85 4.12 0.00 1.99 1.83 0.00 2.98 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.00 28 K 8.74 4.01 0.00 1.58 1.76 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.37 7.81 29 S 8.23 4.20 0.00 3.89 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 30 D 7.75 4.67 0.00 2.71 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 31 G 8.62 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 32 K 7.91 4.05 0.00 1.94 1.59 0.00 1.53 0.00 0.00 1.40 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.35 7.81 33 I 8.23 4.37 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 0.44 0.00 0.00 34 L 8.94 4.90 0.00 1.31 1.66 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.67 4.89 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 0.90 0.00 0.00 0.97 0.00 0.00 36 W 8.75 6.23 0.00 3.42 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 37 K 8.70 5.15 0.00 1.91 1.74 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.49 7.81 38 E 9.34 4.42 0.00 1.85 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.36 0.00 39 L 8.88 4.73 0.00 1.44 1.55 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.67 4.74 0.00 2.47 2.51 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 41 Y 7.89 4.42 0.00 3.34 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.47 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 43 S 7.91 4.62 0.00 3.80 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 44 M 8.37 4.80 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 45 T 8.28 4.46 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 46 E 8.59 4.07 0.00 2.00 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 2.31 1.94 0.00 47 A 7.85 4.16 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 48 E 8.09 3.95 0.00 2.06 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 2.33 2.35 0.00 49 K 8.32 4.04 0.00 1.76 1.72 0.00 1.39 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.66 7.81 50 Q 7.96 4.07 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 51 M 7.93 4.31 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 52 L 7.90 4.22 0.00 1.94 1.82 0.92 1.01 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 53 V 7.86 3.66 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 0.78 0.00 0.00 0.93 0.00 0.00 54 S 7.90 4.43 0.00 3.97 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 55 E 8.13 4.08 0.00 2.03 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 2.18 0.00 56 V 7.55 3.82 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 0.92 0.00 0.00 0.99 0.00 0.00 57 N 7.91 4.31 0.00 2.85 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 58 L 7.48 4.17 0.00 1.79 1.65 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.41 4.06 0.00 1.54 1.25 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.19 3.66 0.00 1.95 1.85 0.00 3.27 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 61 E 7.34 4.54 0.00 2.18 1.89 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.00 70 Y 8.51 4.63 0.00 3.01 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 71 Y 8.81 4.38 0.00 2.83 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 72 D 7.18 4.79 0.00 2.68 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.50 5.12 0.00 1.92 2.15 0.00 3.11 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 74 I 9.01 4.57 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 1.06 0.00 0.00 75 I 8.46 4.63 1.92 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 1.19 0.41 0.99 0.00 0.00 76 D 9.04 4.75 0.00 2.89 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 77 R 8.67 4.13 0.00 1.77 1.94 0.00 3.32 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 78 T 7.96 3.85 4.38 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 1.22 0.00 0.00 79 N 8.03 4.63 0.00 2.74 2.69 0.00 0.00 6.85 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.10 3.35 3.37 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 1.16 0.00 0.00 81 T 7.68 4.51 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 0.20 0.00 0.00 82 L 8.71 4.99 0.00 1.84 1.70 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.86 4.85 0.00 2.66 2.34 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 84 I 8.57 4.71 1.98 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 1.21 0.98 1.15 0.00 0.00 85 V 8.77 4.83 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 0.85 0.00 0.00 0.84 0.00 0.00 86 M 9.35 5.45 0.00 2.08 2.20 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 2.46 2.64 0.00 87 E 8.92 4.73 0.00 2.16 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 0.00 2.35 2.27 0.00 88 Y 8.67 4.46 0.00 2.85 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 89 C 7.83 4.56 0.00 2.91 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 90 E 7.47 3.40 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 91 G 8.16 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.09 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 93 D 8.13 4.98 0.00 2.58 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 94 L 8.30 4.12 0.00 1.84 1.77 0.90 1.12 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 95 A 7.88 3.96 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 96 S 7.75 4.07 0.00 4.14 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 97 V 7.39 3.57 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 0.92 0.00 0.00 0.94 0.00 0.00 98 I 8.21 3.74 2.03 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 1.57 0.73 0.92 0.00 0.00 99 T 8.32 3.86 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 100 K 8.87 4.06 0.00 1.82 1.99 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 101 G 8.16 3.55 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 0.00 102 T 8.02 3.85 4.35 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 1.19 0.00 0.00 103 K 7.59 3.98 0.00 1.89 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.36 7.81 104 E 7.67 4.45 0.00 1.87 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 2.31 2.48 0.00 105 R 7.26 3.68 0.00 1.81 1.88 0.00 3.08 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 106 Q 7.47 4.47 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 107 Y 8.17 4.58 0.00 3.00 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 0.00 108 L 8.55 4.31 0.00 1.89 1.82 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.62 4.57 0.00 2.81 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 0.00 110 E 9.05 4.19 0.00 2.24 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 2.44 2.50 0.00 111 E 8.30 4.05 0.00 2.13 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 0.00 2.49 2.40 0.00 112 F 8.16 4.26 0.00 3.13 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 0.00 113 V 7.86 3.28 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 0.80 0.00 0.00 0.93 0.00 0.00 114 L 8.05 3.80 0.00 1.61 1.21 0.98 0.83 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 0.00 115 R 7.63 3.97 0.00 1.98 1.89 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 116 V 7.29 3.34 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 0.86 0.00 0.00 0.20 0.00 0.00 117 M 7.90 3.84 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 118 T 7.93 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 0.89 0.00 0.00 119 Q 8.21 4.06 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 120 L 8.33 4.08 0.00 1.73 1.67 0.88 0.57 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 0.00 121 T 7.96 3.87 4.34 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 1.19 0.00 0.00 122 L 7.97 4.02 0.00 1.89 1.79 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.79 3.82 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 0.00 124 L 7.96 3.76 0.00 1.72 1.49 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.19 3.79 0.00 1.86 1.98 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 126 E 7.64 3.91 0.00 1.87 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 2.20 2.32 0.00 127 C 8.01 4.27 0.00 3.10 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 0.00 128 H 8.52 4.31 0.00 3.05 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.72 4.04 0.00 1.93 2.12 0.00 3.26 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 130 R 7.38 4.44 0.00 1.97 1.90 0.00 3.19 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 131 S 7.86 4.31 0.00 3.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 L 8.68 4.07 0.00 1.67 1.79 0.95 0.56 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 0.00 143 K 8.00 4.42 0.00 1.63 1.44 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.36 7.81 144 P 0.00 4.18 0.00 2.13 2.17 0.00 3.36 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 2.12 2.18 0.00 145 A 7.70 4.76 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 0.00 146 N 8.43 5.05 0.00 2.70 3.10 0.00 0.00 6.24 7.58 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 0.00 147 V 7.31 4.82 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 1.03 0.00 0.00 0.90 0.00 0.00 148 F 9.83 5.43 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 0.00 149 L 8.92 5.38 0.00 1.61 1.61 1.06 1.20 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 0.00 150 D 8.44 4.92 0.00 2.79 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 0.00 151 G 8.64 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 0.00 152 K 7.95 4.54 0.00 1.76 1.83 0.00 1.92 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.45 7.81 153 Q 8.40 3.77 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 154 N 8.54 5.00 0.00 3.14 2.75 0.00 0.00 6.51 8.22 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 0.00 155 V 9.71 4.89 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 0.94 0.00 0.00 0.88 0.00 0.00 156 K 9.39 4.90 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.39 7.81 157 L 9.17 4.91 0.00 1.74 1.54 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.89 4.73 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 0.00 159 D 8.79 4.46 0.00 2.80 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 *178 G 8.45 3.60 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 0.00 0.00 0.00 179 T 8.14 3.91 3.16 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 0.71 0.00 0.00 180 P 0.00 4.60 0.00 2.15 1.98 0.00 3.45 0.00 0.00 3.79 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0.00 0.00 0.00 0.00 2.47 2.60 0.00 189 N 8.00 4.90 0.00 2.64 2.60 0.00 0.00 6.96 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 R 7.45 4.42 0.00 2.01 0.91 0.00 3.35 0.00 0.00 3.15 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 0.00 *194 N 8.88 4.46 0.00 2.80 2.72 0.00 0.00 6.92 7.65 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 0.00 195 E 8.65 3.97 0.00 1.97 1.73 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 2.16 2.30 0.00 196 K 8.22 4.19 0.00 1.78 1.90 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.63 7.81 197 S 7.91 4.33 0.00 4.10 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 0.00 198 D 8.11 4.49 0.00 3.00 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 0.00 199 I 7.76 3.76 2.11 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 1.76 1.03 0.96 0.00 0.00 200 W 8.09 4.48 0.00 3.52 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 0.00 201 S 8.28 4.23 0.00 4.23 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 0.00 202 L 8.45 4.01 0.00 1.71 1.79 0.86 0.84 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 0.00 203 G 8.29 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 0.00 0.00 0.00 204 C 7.64 3.57 0.00 2.04 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 7.29 4.14 0.00 2.01 1.80 0.97 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 206 L 8.01 3.83 0.00 1.51 1.50 0.78 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 207 Y 7.60 3.58 0.00 2.76 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 0.00 208 E 8.14 5.04 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 209 L 7.48 4.06 0.00 1.78 1.68 0.77 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 210 C 7.60 3.83 0.00 2.43 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 0.00 0.00 0.00 211 A 7.98 4.15 0.98 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 0.00 212 L 7.82 3.77 0.00 1.95 1.81 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 213 M 7.42 4.81 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 214 P 0.00 4.59 0.00 2.13 2.02 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.91 0.00 215 P 0.00 2.97 0.00 0.49 0.49 0.00 3.32 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.00 216 F 7.69 4.88 0.00 3.10 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 0.00 217 T 8.05 4.87 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 1.18 0.00 0.00 218 A 7.77 4.49 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 0.00 219 F 8.84 4.63 0.00 3.13 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 0.00 220 S 7.71 4.87 0.00 4.02 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 0.00 221 Q 8.67 3.97 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 222 K 7.95 4.04 0.00 1.80 1.79 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.06 7.81 223 E 8.30 4.09 0.00 2.09 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 0.00 2.35 2.36 0.00 224 L 8.19 3.96 0.00 1.82 1.77 1.08 0.91 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 0.00 225 A 8.14 3.98 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 0.00 226 G 7.94 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 0.00 227 K 8.10 4.10 0.00 2.05 2.12 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.71 7.81 228 I 7.53 2.70 1.74 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 0.73 0.42 0.55 0.00 0.00 229 R 7.56 3.98 0.00 1.76 1.93 0.00 3.10 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 230 E 7.94 4.18 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 231 G 7.77 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 0.00 232 K 7.52 4.33 0.00 1.95 1.68 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.52 7.81 233 F 7.05 4.71 0.00 2.62 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 0.00 0.00 0.00 234 R 8.39 4.20 0.00 1.96 1.94 0.00 3.25 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 235 R 8.22 4.10 0.00 1.69 1.55 0.00 3.18 0.00 0.00 2.53 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.65 0.00 236 I 7.30 3.42 1.33 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.15 0.00 0.00 237 P 0.00 4.01 0.00 1.69 1.49 0.00 3.29 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.71 0.00 238 Y 8.25 4.33 0.00 2.94 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 0.00 239 R 7.63 3.92 0.00 1.65 1.85 0.00 2.65 0.00 0.00 2.56 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 240 Y 7.35 4.67 0.00 3.12 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 0.00 241 S 8.77 4.50 0.00 4.25 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 D 8.66 4.41 0.00 2.72 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 0.00 243 E 8.13 3.95 0.00 2.05 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 2.41 2.43 0.00 244 L 7.74 3.86 0.00 1.88 1.78 0.78 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 245 N 8.14 4.17 0.00 2.82 2.92 0.00 0.00 6.90 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 E 8.53 3.89 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 247 I 7.51 3.63 1.84 0.00 0.00 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 1.47 1.16 0.89 0.00 0.00 248 I 7.40 3.58 1.74 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.74 0.00 0.00 249 T 8.09 4.13 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 1.33 0.00 0.00 250 R 8.25 4.00 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 251 M 8.17 4.20 0.00 2.19 2.08 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 2.80 2.54 0.00 252 L 7.01 3.76 0.00 1.48 1.04 -0.44 -0.39 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 0.00 253 N 7.43 4.68 0.00 3.00 2.81 0.00 0.00 7.10 7.09 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 0.00 254 L 8.69 4.09 0.00 1.71 1.69 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 255 K 8.31 3.99 0.00 1.35 0.74 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.32 7.81 256 D 8.59 4.44 0.00 2.85 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 Y 7.20 4.42 0.00 3.06 3.12 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 0.00 258 H 7.98 4.81 0.00 3.32 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 R 7.48 4.38 0.00 2.02 1.92 0.00 3.36 0.00 0.00 3.60 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 260 P 0.00 4.67 0.00 2.18 2.06 0.00 3.78 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 1.99 1.95 0.00 261 S 9.06 4.45 0.00 4.19 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 0.00 262 V 8.45 3.56 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 1.07 0.00 0.00 1.00 0.00 0.00 263 E 8.11 3.96 0.00 2.11 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 2.48 0.00 264 E 7.78 4.34 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 2.36 2.23 0.00 265 I 7.95 3.87 2.01 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 1.50 1.20 0.87 0.00 0.00 266 L 7.56 4.11 0.00 1.60 1.75 0.96 1.41 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 0.00 267 E 8.13 4.18 0.00 2.21 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 2.34 2.52 0.00 268 N 7.58 4.54 0.00 2.81 2.74 0.00 0.00 7.02 7.65 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 0.00 269 P 0.00 4.30 0.00 2.08 2.13 0.00 3.73 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 2.04 2.13 0.00 270 L 8.23 4.07 0.00 1.78 1.68 0.91 0.70 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 0.00 271 I 7.86 4.04 1.98 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 1.20 0.42 0.90 0.00 0.00 272 L 8.42 4.86 0.00 1.59 1.60 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 273 E 8.84 3.93 0.00 1.97 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 2.33 2.25 0.00 274 H 8.13 4.47 0.00 3.30 3.39 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 H 7.66 4.34 0.00 3.26 3.28 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 276 H 8.03 4.55 0.00 3.15 3.22 0.00 5.85 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 277 H 8.38 4.62 0.00 3.18 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 278 H 8.75 4.72 0.00 3.10 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 279 H 8.86 4.47 0.00 3.20 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.