NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2715 7.8827 121.4537 61.2301 38.6814 173.7815 17 V 4.3351 8.8039 126.3179 62.0515 32.5226 174.6806 18 G 3.8058 8.6333 114.3345 46.8306 0.0000 173.1188 19 G 4.2190 7.6106 109.4596 44.1342 0.0000 172.6838 20 Y 4.9654 7.8568 116.3226 55.1089 41.1802 175.0114 21 T 4.1501 8.6448 117.5624 64.3478 68.8973 175.6862 22 C 4.3002 8.9198 125.8409 58.5716 36.4301 175.7355 23 G 3.9694 7.8705 102.3458 45.2240 0.0000 172.6326 24 A 3.9820 8.3976 125.3309 53.4618 18.6587 177.0302 25 N 4.2487 8.7881 120.3286 54.5665 36.1661 175.4332 26 T 4.2114 7.5514 108.3849 62.7681 70.0471 175.0460 27 V 4.0809 7.0501 121.8436 60.2736 31.3311 173.6769 28 P 4.4866 0.0000 0.0000 64.3498 32.1311 178.2065 29 Y 5.2457 6.8662 115.8756 56.8651 38.8169 174.7412 30 Q 4.6170 7.2930 123.4527 56.1868 29.6719 175.2614 31 V 4.7936 8.8241 125.4584 61.1870 35.4211 173.7185 32 S 4.8153 8.7737 120.9017 56.5405 64.5885 172.6019 33 L 4.5188 8.4228 127.8926 53.4782 42.9846 175.0535 34 N 5.5201 8.9161 123.0430 49.8479 41.7760 174.8728 *37 S 4.1455 8.3216 121.2221 58.2461 63.9495 174.4376 38 G 4.0018 10.3758 108.0892 45.9268 0.0000 172.0044 39 Y 4.5497 6.6055 114.8694 56.1060 40.0187 172.7900 40 H 4.4881 8.8574 122.0013 56.2736 30.3181 174.7939 41 F 5.0296 7.8599 120.1295 56.8368 39.5702 174.0391 42 C 4.7721 6.8672 115.0159 56.0541 44.7218 173.5715 43 G 4.3850 8.7068 109.8141 45.5483 0.0000 172.2965 44 G 4.5310 7.7455 102.8252 46.3843 0.0000 172.6292 45 S 5.5145 8.7715 115.5206 56.4137 66.8621 173.6033 46 L 4.8033 9.2596 127.5995 54.7602 42.4742 177.0242 47 I 4.6097 8.7530 119.2313 60.8612 38.9970 174.4862 48 N 4.8497 7.5597 117.1711 52.4724 39.3157 174.4133 49 S 4.1446 8.7495 111.1228 60.3690 63.7103 174.3204 50 Q 4.5923 9.0758 121.5049 55.3802 30.8447 174.2448 51 W 5.5528 8.3426 117.1437 55.4557 33.7670 174.1776 52 V 4.9627 8.9344 123.1439 61.1841 34.2353 174.1525 53 V 4.8323 8.7590 127.3597 61.8541 33.1244 174.7022 54 S 5.0911 9.0775 121.6489 57.6313 66.1464 171.7587 55 A 4.6970 8.4917 120.3859 50.5741 20.4684 178.2622 56 A 3.7741 8.4209 125.0491 55.4456 18.3580 179.1694 57 H 4.5374 8.2999 108.9547 57.2877 28.7089 175.3664 58 C 4.6499 7.9021 117.2257 57.3861 40.5404 173.3066 59 Y 4.2171 7.6960 122.3377 57.9530 38.6020 175.3044 60 K 3.7706 7.3184 124.2663 55.6702 35.2376 174.8676 61 S 4.2406 7.9348 113.9787 58.5251 64.1258 173.3304 62 G 3.6681 8.3820 106.7168 46.7701 0.0000 173.5925 63 I 4.2237 7.5550 119.9563 60.0407 39.1071 174.9824 64 Q 4.7827 8.8655 128.7674 54.3207 31.1346 174.2814 65 V 4.2660 8.8725 127.2966 62.1349 33.3680 174.6474 66 R 5.0265 9.2614 127.4122 54.6531 32.3456 175.0077 67 L 4.6887 9.0277 124.9080 52.8211 44.4386 177.7973 *69 G 4.0145 8.3080 108.7307 45.2957 0.0000 172.7557 70 E 4.3603 8.1680 118.4790 55.6332 30.0752 174.0707 71 D 4.8627 7.9131 117.4663 55.3617 44.1885 174.5300 72 N 4.8672 8.9379 121.6714 53.0424 39.0010 176.1530 73 I 3.7959 8.3835 119.9234 62.1282 37.9154 176.2818 74 N 4.7590 8.6465 118.0057 53.0472 39.4602 174.8012 75 V 4.3323 7.3583 117.1345 60.5942 34.2000 174.9328 76 V 4.0779 8.4640 126.8469 62.7973 31.3335 175.1324 77 E 4.4498 9.6265 127.0160 55.5054 31.1383 177.1469 78 G 3.9076 8.0614 105.5296 46.4665 0.0000 174.0066 79 N 4.5166 8.8804 115.8924 52.9218 36.5632 174.3278 80 E 4.5317 7.7717 117.6216 56.4253 30.6022 176.2489 81 Q 4.5027 9.0669 121.5429 54.1770 32.5418 174.1656 82 F 5.5330 8.8228 122.7487 56.0440 40.9763 175.3001 83 I 4.6901 8.8657 124.6148 59.3500 41.0529 175.3842 84 S 4.5435 8.7332 122.5114 58.2226 64.2149 173.3538 85 A 4.4639 8.4386 126.0970 52.2380 18.0351 177.8365 86 S 4.5319 9.2179 118.4118 59.9352 64.4311 174.6320 87 K 4.7163 7.5864 117.5174 55.5995 35.8518 174.9960 88 S 5.1974 8.7551 117.1091 57.0033 66.0617 173.7449 89 I 4.4726 9.3965 126.1923 59.3299 38.8406 174.9634 90 V 4.0327 8.2523 127.1247 62.3604 32.5737 175.1543 91 H 4.0121 8.6900 127.4040 55.9976 29.9984 174.6550 92 P 4.3022 0.0000 0.0000 65.3248 31.4408 177.1996 93 S 4.6242 7.9670 112.1992 58.1663 62.9295 173.3978 94 Y 4.3703 7.9384 122.8678 57.7979 39.0833 174.9300 95 N 4.5459 8.2373 125.5802 51.3303 40.4863 175.2969 96 S 4.0131 8.0314 121.0098 60.9840 63.7130 175.5743 97 N 4.3201 8.0839 118.1411 55.9634 38.7269 175.9011 98 T 4.0085 7.5094 106.0343 60.6724 70.1002 175.6494 99 L 3.7239 8.2221 120.8509 55.0971 39.8856 173.9264 100 N 4.3918 7.4665 117.5471 54.8526 39.4063 174.6469 101 N 4.1996 8.7108 120.9273 54.0331 35.8084 175.5432 102 D 4.6345 7.9696 117.9212 52.9570 39.9623 174.5515 103 I 4.6918 7.2287 121.1417 59.5822 42.0834 172.3512 104 M 5.4024 9.0151 126.5938 54.3171 36.2177 173.1722 105 L 5.4437 9.2193 125.0574 53.2207 44.8590 175.3546 106 I 4.9211 9.1983 123.8190 59.4058 40.4892 174.2560 107 K 3.7754 8.5554 128.7526 54.4543 33.4996 175.6879 108 L 4.4293 8.2741 128.0710 54.2976 41.8852 177.1701 109 K 4.1475 8.8596 124.8993 58.9244 32.5720 177.1679 110 S 4.6727 7.7272 111.1694 55.7125 66.1333 173.1188 111 A 4.3959 8.4129 123.4334 51.8127 18.6525 177.5220 112 A 4.2446 9.0376 124.4974 52.1580 19.5698 177.4695 113 S 4.5464 9.2475 117.1362 57.3174 63.4721 174.4382 114 L 4.5628 8.4919 125.6762 54.2230 42.5510 176.3436 115 N 4.7722 9.0476 120.7216 53.1394 39.7837 175.4546 116 S 4.1715 8.8529 113.3857 61.0876 62.3171 170.9335 117 R 4.4566 8.9301 116.7811 55.9425 31.1570 176.2125 118 V 4.4187 7.8422 117.4265 61.0322 33.2412 173.6738 119 A 5.1176 8.4871 128.3418 50.4199 22.9696 175.1627 120 S 5.0865 8.6940 113.9894 57.8546 64.8132 173.1315 121 I 4.4429 8.1613 121.2660 59.2037 39.7053 175.4888 122 S 4.4624 8.4203 124.3489 58.2155 64.1669 173.8331 123 L 4.3356 8.3360 122.8185 53.5374 42.3950 175.3678 124 P 4.5065 0.0000 0.0000 62.9893 32.1406 176.3413 125 T 4.1772 8.2010 108.6214 62.5813 69.9545 174.6564 *127 S 4.3769 7.5676 116.3772 58.3337 63.9937 174.0704 128 C 4.4227 8.4260 119.3868 56.6852 40.7313 173.7398 129 A 4.3174 8.0965 125.7796 51.6493 19.2863 177.3743 130 S 4.3689 8.1002 114.4720 56.8216 65.0554 173.1573 *132 A 4.2519 8.1903 123.2004 53.5251 19.1688 177.4086 133 G 3.9502 9.1392 110.9819 45.1492 0.0000 174.1247 134 T 3.9687 7.6158 117.8136 63.8470 69.3874 173.4850 135 Q 4.8120 8.5845 125.2244 55.3337 30.2196 175.7120 136 C 5.2322 9.3079 119.9974 55.0976 46.0442 172.4021 137 L 5.2071 8.9685 122.8590 53.5669 43.9604 175.0454 138 I 5.2802 9.0283 127.3164 58.7897 40.0671 174.8571 139 S 4.8550 8.5633 119.4494 56.4888 66.6379 173.0329 140 G 3.7580 7.5424 108.4825 46.2286 0.0000 172.9736 141 W 4.7978 8.6386 116.8779 56.3200 29.3584 177.1502 142 G 4.2381 8.3983 109.5201 44.1481 0.0000 173.4472 143 N 3.9861 8.6935 118.3538 54.4073 38.9618 174.8238 144 T 5.0988 8.3459 115.4990 61.1832 69.5393 174.9257 145 K 4.6923 7.6397 122.4556 52.9627 35.1612 180.8373 146 S 4.2094 8.4540 118.1081 61.5426 63.2979 176.3961 147 S 4.4622 7.8863 126.1797 59.5600 61.3717 174.8294 148 G 4.0532 8.2598 115.1335 43.7693 0.0000 172.7012 149 T 4.4010 8.2482 116.6187 59.7162 69.8368 174.4752 150 S 4.5573 9.3434 123.8655 55.8865 64.8359 172.2728 151 Y 5.1274 8.6205 125.3422 56.0272 39.2241 174.1670 152 P 4.7755 0.0000 0.0000 62.0620 33.2445 175.9139 153 D 4.5430 8.7788 119.1629 56.7815 41.2136 177.0093 154 V 5.5772 7.4220 109.6028 58.4617 34.5966 175.6109 155 L 3.3110 8.4632 124.8598 54.9093 42.9586 175.9112 156 K 4.8880 8.1257 124.9173 54.8997 35.1025 174.6144 157 C 5.1959 8.4578 119.7174 55.0528 43.6983 172.9917 158 L 4.9486 8.9007 123.5837 53.5585 45.4448 174.8558 159 K 5.0348 9.0269 125.6341 55.6916 33.2725 176.0331 160 A 4.8344 9.4867 126.1805 49.7902 23.1265 173.4817 161 P 5.0479 0.0000 0.0000 61.7629 34.0090 175.0861 162 I 4.4048 8.5248 123.0679 61.4116 38.0141 175.8803 163 L 4.7895 8.7923 127.6515 53.4904 43.1448 177.0468 164 S 4.3326 8.6009 117.5163 58.6761 63.9718 175.7426 165 D 4.4669 8.6978 123.9575 58.5540 39.5188 180.1160 166 S 4.3488 7.9995 114.5869 61.7691 63.2600 176.7541 167 S 4.2537 8.0298 119.9639 60.5180 62.6383 175.8960 168 C 4.3395 8.3044 121.4137 59.8055 39.1729 175.8803 169 K 3.9909 8.5304 120.3595 58.9906 31.2364 179.4395 170 S 4.1878 8.1577 114.6120 60.9375 62.8532 176.4237 171 A 3.8967 7.7118 123.5063 54.0137 19.6147 177.4026 172 Y 4.9007 7.8027 113.0757 55.4347 38.5295 173.3611 173 P 4.6333 0.0000 0.0000 63.5410 32.1441 178.1491 174 G 3.9866 8.9327 109.2067 46.0887 0.0000 173.7241 175 Q 4.4485 8.3691 117.1322 55.6089 29.7518 175.3024 176 I 4.4486 7.8106 119.8940 59.8610 38.4010 175.4750 177 T 4.5485 8.2375 115.8619 59.6690 70.7306 175.6132 178 S 4.2745 8.5147 115.5287 60.7226 63.1412 174.5458 179 N 4.9294 7.9250 117.5614 53.3809 38.3816 173.9177 180 M 5.5629 7.8857 117.1700 53.6678 36.0156 174.5810 181 F 5.1361 8.9674 115.6924 55.7307 42.3068 172.5134 182 C 5.4972 8.9717 116.1142 55.7766 41.0298 172.7515 183 A 5.0608 9.3956 122.8388 50.8575 22.3594 174.5791 184 G 3.7586 7.0459 107.5248 44.5155 0.0000 174.3419 184A Y 4.6316 8.4144 122.0782 56.2545 41.0130 176.0158 185 L 4.2196 8.6570 126.0482 57.1792 42.0319 178.8217 186 E 4.0013 8.2113 114.9702 56.8481 29.9559 177.3757 187 G 3.8308 7.7443 106.8448 45.7435 0.0000 173.7157 188 G 3.9546 9.8683 106.4270 44.9396 0.0000 173.3649 188A K 4.7190 7.3285 118.2565 55.4095 35.7979 174.8797 189 D 4.7007 8.8508 123.4745 53.5607 45.5229 174.8343 190 S 4.8476 8.8055 116.9266 58.4388 64.9763 173.2606 191 C 4.7088 9.3335 121.0354 56.1744 44.8434 172.9508 192 Q 4.4579 8.6825 117.9306 56.9631 27.7716 173.3056 193 G 4.4006 9.3094 111.2737 44.7641 0.0000 173.9872 194 D 4.6986 8.3860 118.6656 55.3002 41.7001 176.7704 195 S 4.4515 8.0943 115.5526 60.5253 63.4057 175.6090 196 G 3.9960 8.8242 112.2453 46.3150 0.0000 173.6306 197 G 4.4341 7.8653 107.8179 44.9764 0.0000 171.1442 198 P 5.0842 0.0000 0.0000 62.2154 33.5101 175.5809 199 V 4.5765 8.6018 122.1752 61.4258 33.8271 174.0323 200 V 4.9595 8.7791 129.0485 61.0282 34.2448 171.9155 201 C 5.0757 9.1885 124.6019 54.8821 44.8338 175.1256 202 S 3.5558 9.7390 120.3571 59.1395 59.1612 169.7192 203 G 3.9970 8.2292 105.4547 46.2215 0.0000 173.4562 204 K 4.6925 7.7150 117.8715 52.9318 35.3193 175.4960 *209 L 4.3480 8.2760 122.5012 55.4908 42.2480 175.9304 210 Q 4.5961 9.1894 125.9338 56.2951 31.1988 175.8208 211 G 5.2834 8.0258 104.6285 45.6710 0.0000 171.4273 212 I 5.2299 8.1920 120.1545 58.8003 40.8992 175.1411 213 V 3.7729 8.9474 127.4835 64.1205 31.8004 174.1351 214 S 4.8600 8.5378 120.6791 58.6811 64.4063 174.2804 215 W 5.0374 7.6160 114.1934 55.9988 32.1655 172.0783 216 G 3.5904 7.8902 104.2140 46.8506 0.0000 172.7063 217 S 4.6733 8.2860 114.8237 56.3833 63.3886 173.1263 *219 G 4.2537 8.0090 118.2496 45.4842 0.0000 170.6650 220 C 4.9892 8.0924 116.4375 56.4106 44.5131 173.8427 221 A 4.3746 9.2236 125.3694 53.2260 16.7878 177.0293 221A Q 4.5219 7.5423 119.6859 56.7747 29.8180 176.7976 222 K 4.3011 8.4568 122.5672 56.2081 32.1632 176.7177 223 N 4.3157 9.3673 118.8560 53.2959 36.9627 175.4116 224 K 4.3086 7.6045 117.9679 53.6058 32.1572 173.8685 225 P 4.6518 0.0000 0.0000 61.7965 33.1586 176.9639 226 G 3.6209 8.4384 106.2463 46.2045 0.0000 172.7218 227 V 4.4534 7.5947 122.2633 60.6735 34.1080 174.0942 228 Y 4.9234 8.1681 124.2341 55.9217 42.1844 174.9875 229 T 4.3199 8.5340 120.3039 63.6869 70.0274 174.0495 230 K 4.8710 9.2927 128.3047 55.6644 31.9050 177.3971 231 V 3.9851 8.9632 127.5735 65.6757 31.3942 175.0574 232 C 4.5684 8.3076 112.8571 58.0987 41.5594 174.7393 233 N 4.2913 8.0215 117.1517 54.4269 38.3407 174.9041 234 Y 4.7992 8.1339 117.6925 57.3045 39.5307 177.5595 235 V 3.7217 8.0401 121.8385 66.1371 31.5510 178.0573 236 S 4.1672 8.1069 113.6300 61.0852 62.8934 176.0335 237 W 4.1746 8.3331 131.5365 60.2820 30.4399 177.8509 238 I 3.3301 8.6276 122.6173 64.8648 36.6023 179.2829 239 K 3.8162 8.3125 124.8952 59.8114 31.2958 181.0309 240 Q 4.1120 8.1001 118.8235 58.9618 28.7136 178.7021 241 T 3.6831 7.5875 117.0773 66.5285 68.4758 176.9845 242 I 2.6471 7.3300 121.6842 63.7807 36.6992 178.3708 243 A 4.0210 7.6999 121.0504 54.1088 18.2156 178.7149 244 S 4.6160 7.3372 110.2515 58.3465 63.6263 174.0968 245 N 4.6774 7.8525 125.1459 53.8151 39.2393 173.9968 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 16 I 7.88 4.27 1.81 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 1.40 0.92 0.86 0.00 0.00 17 V 8.80 4.34 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 0.92 0.00 0.00 0.90 0.00 0.00 18 G 8.63 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 19 G 7.61 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 0.00 0.00 0.00 0.00 20 Y 7.86 4.97 0.00 2.91 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 21 T 8.64 4.15 4.31 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 1.27 0.00 0.00 22 C 8.92 4.30 0.00 2.72 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 23 G 7.87 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 24 A 8.40 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.79 4.25 0.00 2.88 2.91 0.00 0.00 7.13 7.54 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 26 T 7.55 4.21 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 1.24 0.00 0.00 27 V 7.05 4.08 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 0.31 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.49 0.00 2.38 2.34 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 29 Y 6.87 5.25 0.00 3.25 3.38 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 30 Q 7.29 4.62 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 2.03 2.51 0.00 31 V 8.82 4.79 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 0.89 0.00 0.00 1.00 0.00 0.00 32 S 8.77 4.82 0.00 3.22 3.19 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 33 L 8.42 4.52 0.00 0.35 0.94 0.79 0.17 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 34 N 8.92 5.52 0.00 2.38 2.44 0.00 0.00 6.77 8.47 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 *37 S 8.32 4.15 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 10.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.61 4.55 0.00 3.05 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 40 H 8.86 4.49 0.00 2.83 3.12 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.86 5.03 0.00 3.00 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 42 C 6.87 4.77 0.00 2.26 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 43 G 8.71 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 44 G 7.75 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.77 5.51 0.00 3.82 3.83 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 46 L 9.26 4.80 0.00 1.85 1.67 1.05 0.74 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 47 I 8.75 4.61 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 0.95 0.00 0.00 48 N 7.56 4.85 0.00 3.00 3.01 0.00 0.00 6.02 7.64 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 49 S 8.75 4.14 0.00 4.22 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 50 Q 9.08 4.59 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 51 W 8.34 5.55 0.00 3.30 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 52 V 8.93 4.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 53 V 8.76 4.83 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.02 0.00 0.00 54 S 9.08 5.09 0.00 3.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.49 4.70 1.14 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 0.00 0.00 56 A 8.42 3.77 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 57 H 8.30 4.54 0.00 3.37 3.57 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.90 4.65 0.00 3.23 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 59 Y 7.70 4.22 0.00 2.92 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 60 K 7.32 3.77 0.00 1.51 1.38 0.00 0.80 0.00 0.00 1.30 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 1.04 7.81 61 S 7.93 4.24 0.00 3.93 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 62 G 8.38 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.56 4.22 1.84 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 1.44 0.97 0.89 0.00 0.00 64 Q 8.87 4.78 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 65 V 8.87 4.27 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 0.96 0.00 0.00 0.88 0.00 0.00 66 R 9.26 5.03 0.00 1.54 1.64 0.00 2.61 0.00 0.00 2.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.13 0.00 67 L 9.03 4.69 0.00 1.62 1.70 0.97 0.86 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 *69 G 8.31 4.01 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 0.00 0.00 0.00 70 E 8.17 4.36 0.00 2.07 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 2.35 2.03 0.00 71 D 7.91 4.86 0.00 2.78 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 72 N 8.94 4.87 0.00 2.84 2.84 0.00 0.00 7.18 7.32 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 73 I 8.38 3.80 1.40 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 -0.50 0.00 0.00 74 N 8.65 4.76 0.00 2.81 2.87 0.00 0.00 6.63 7.26 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 75 V 7.36 4.33 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 0.78 0.00 0.00 0.95 0.00 0.00 76 V 8.46 4.08 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 0.85 0.00 0.00 0.94 0.00 0.00 77 E 9.63 4.45 0.00 1.96 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 2.26 2.43 0.00 78 G 8.06 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 79 N 8.88 4.52 0.00 2.97 3.04 0.00 0.00 6.93 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 80 E 7.77 4.53 0.00 1.60 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 2.72 2.47 0.00 81 Q 9.07 4.50 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 82 F 8.82 5.53 0.00 2.79 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 83 I 8.87 4.69 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.88 0.00 0.00 84 S 8.73 4.54 0.00 3.75 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 85 A 8.44 4.46 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.22 4.53 0.00 3.77 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 K 7.59 4.72 0.00 1.83 1.88 0.00 1.43 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.41 7.81 88 S 8.76 5.20 0.00 4.07 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 89 I 9.40 4.47 2.07 0.00 0.00 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 1.24 0.91 1.07 0.00 0.00 90 V 8.25 4.03 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 0.64 0.00 0.00 0.70 0.00 0.00 91 H 8.69 4.01 0.00 2.97 3.07 0.00 5.64 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 92 P 0.00 4.30 0.00 2.09 2.14 0.00 3.27 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 2.11 2.23 0.00 93 S 7.97 4.62 0.00 3.93 3.90 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 94 Y 7.94 4.37 0.00 2.93 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 95 N 8.24 4.55 0.00 2.61 2.43 0.00 0.00 6.65 7.75 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 96 S 8.03 4.01 0.00 3.91 3.85 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 97 N 8.08 4.32 0.00 2.59 2.79 0.00 0.00 6.81 7.54 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 98 T 7.51 4.01 4.12 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 1.09 0.00 0.00 99 L 8.22 3.72 0.00 1.44 1.88 0.70 1.07 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 0.00 100 N 7.47 4.39 0.00 2.83 2.66 0.00 0.00 7.23 6.59 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 0.00 101 N 8.71 4.20 0.00 2.92 2.60 0.00 0.00 7.23 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.97 4.63 0.00 3.09 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 0.00 103 I 7.23 4.69 1.48 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 1.29 1.15 0.09 0.00 0.00 104 M 9.02 5.40 0.00 2.19 1.84 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 105 L 9.22 5.44 0.00 1.87 1.96 0.30 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.20 4.92 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.86 0.87 0.00 0.00 107 K 8.56 3.78 0.00 0.79 1.10 0.00 1.20 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.67 0.21 7.81 108 L 8.27 4.43 0.00 1.45 1.58 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.86 4.15 0.00 1.84 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.36 7.81 110 S 7.73 4.67 0.00 3.93 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 0.00 111 A 8.41 4.40 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 0.00 112 A 9.04 4.24 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 0.00 113 S 9.25 4.55 0.00 3.72 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.49 4.56 0.00 1.66 1.69 0.96 1.13 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 0.00 115 N 9.05 4.77 0.00 2.86 2.93 0.00 0.00 7.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.85 4.17 0.00 3.65 3.83 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 0.00 117 R 8.93 4.46 0.00 1.73 2.16 0.00 3.33 0.00 0.00 3.34 7.30 0.00 0.00 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0.00 1.20 0.00 0.00 *127 S 7.57 4.38 0.00 3.88 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 0.00 128 C 8.43 4.42 0.00 2.92 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 0.00 129 A 8.10 4.32 1.05 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 0.00 0.00 130 S 8.10 4.37 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *132 A 8.19 4.25 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 0.00 133 G 9.14 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.62 3.97 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 1.14 0.00 0.00 135 Q 8.58 4.81 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 136 C 9.31 5.23 0.00 2.74 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 0.00 137 L 8.97 5.21 0.00 1.76 1.57 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.03 5.28 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.47 0.95 0.00 0.00 139 S 8.56 4.85 0.00 3.49 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.54 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 0.00 141 W 8.64 4.80 0.00 3.12 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 0.00 142 G 8.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.69 3.99 0.00 2.35 2.65 0.00 0.00 7.10 7.25 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 0.00 144 T 8.35 5.10 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 145 K 7.64 4.69 0.00 1.75 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 0.98 7.81 146 S 8.45 4.21 0.00 3.86 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.89 4.46 0.00 3.62 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 0.00 148 G 8.26 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.25 4.40 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 0.00 150 S 9.34 4.56 0.00 3.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.62 5.13 0.00 2.96 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 0.00 152 P 0.00 4.78 0.00 2.47 2.11 0.00 4.24 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 153 D 8.78 4.54 0.00 2.81 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 0.00 154 V 7.42 5.58 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 1.13 0.00 0.00 0.98 0.00 0.00 155 L 8.46 3.31 0.00 1.34 1.28 -0.81 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.13 4.89 0.00 1.69 1.51 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.49 7.81 157 C 8.46 5.20 0.00 1.69 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 0.00 0.00 0.00 0.00 158 L 8.90 4.95 0.00 1.62 1.44 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 159 K 9.03 5.03 0.00 1.83 1.83 0.00 1.86 0.00 0.00 1.80 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.59 1.64 7.81 160 A 9.49 4.83 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 5.05 0.00 2.02 2.08 0.00 3.16 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 162 I 8.52 4.40 1.73 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.70 0.78 0.00 0.00 163 L 8.79 4.79 0.00 1.55 1.60 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.60 4.33 0.00 4.00 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 0.00 165 D 8.70 4.47 0.00 2.71 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 0.00 166 S 8.00 4.35 0.00 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 8.03 4.25 0.00 4.07 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 C 8.30 4.34 0.00 3.19 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.53 3.99 0.00 1.93 1.90 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.64 7.81 170 S 8.16 4.19 0.00 4.07 4.12 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 0.00 171 A 7.71 3.90 1.11 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 0.00 0.00 172 Y 7.80 4.90 0.00 3.13 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 0.00 173 P 0.00 4.63 0.00 2.21 2.11 0.00 3.59 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 174 G 8.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.37 4.45 0.00 2.45 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 176 I 7.81 4.45 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.98 1.00 0.00 0.00 177 T 8.24 4.55 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 1.25 0.00 0.00 178 S 8.51 4.27 0.00 4.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 7.93 4.93 0.00 2.97 3.12 0.00 0.00 6.58 7.54 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 0.00 180 M 7.89 5.56 0.00 1.83 2.12 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 181 F 8.97 5.14 0.00 3.05 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 0.00 182 C 8.97 5.50 0.00 2.99 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 0.00 183 A 9.40 5.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 7.05 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 184A Y 8.41 4.63 0.00 3.06 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 0.00 185 L 8.66 4.22 0.00 1.73 1.73 0.92 0.87 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 0.00 186 E 8.21 4.00 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 2.34 2.27 0.00 187 G 7.74 3.83 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 0.00 0.00 0.00 188 G 9.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188A K 7.33 4.72 0.00 1.41 1.66 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.20 7.81 189 D 8.85 4.70 0.00 2.84 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.81 4.85 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 9.33 4.71 0.00 2.95 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 0.00 192 Q 8.68 4.46 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.29 0.00 0.00 0.00 0.00 0.00 2.37 1.95 0.00 193 G 9.31 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.39 4.70 0.00 2.99 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 0.00 195 S 8.09 4.45 0.00 4.00 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 0.00 196 G 8.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.87 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 0.00 0.00 0.00 0.00 198 P 0.00 5.08 0.00 2.32 2.36 0.00 3.85 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 2.21 2.21 0.00 199 V 8.60 4.58 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 0.81 0.00 0.00 0.58 0.00 0.00 200 V 8.78 4.96 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 0.83 0.00 0.00 0.61 0.00 0.00 201 C 9.19 5.08 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.74 3.56 0.00 3.74 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 4.69 0.00 1.69 1.63 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.40 7.81 *209 L 8.28 4.35 0.00 1.51 1.63 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 9.19 4.60 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.42 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 211 G 8.03 5.28 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 0.00 212 I 8.19 5.23 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.12 0.97 0.00 0.00 213 V 8.95 3.77 2.38 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 1.02 0.00 0.00 1.22 0.00 0.00 214 S 8.54 4.86 0.00 3.89 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 0.00 215 W 7.62 5.04 0.00 3.33 2.99 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 0.00 216 G 7.89 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 0.00 217 S 8.29 4.67 0.00 4.25 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 *219 G 8.01 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 0.00 0.00 0.00 0.00 220 C 8.09 4.99 0.00 2.95 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 A 9.22 4.37 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A Q 7.54 4.52 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 222 K 8.46 4.30 0.00 1.77 1.60 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.04 7.81 223 N 9.37 4.32 0.00 2.78 2.87 0.00 0.00 6.78 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 0.00 224 K 7.60 4.31 0.00 1.88 1.81 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.48 7.81 225 P 0.00 4.65 0.00 2.14 2.11 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 226 G 8.44 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 0.00 227 V 7.59 4.45 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 0.00 0.00 0.39 0.00 0.00 -0.67 0.00 0.00 228 Y 8.17 4.92 0.00 1.43 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.53 4.32 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 1.19 0.00 0.00 230 K 9.29 4.87 0.00 2.15 1.87 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.62 7.81 231 V 8.96 3.99 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 1.16 0.00 0.00 1.10 0.00 0.00 232 C 8.31 4.57 0.00 3.17 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 8.02 4.29 0.00 2.55 2.35 0.00 0.00 6.77 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 0.00 234 Y 8.13 4.80 0.00 3.06 3.19 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 0.00 235 V 8.04 3.72 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 1.18 0.00 0.00 1.04 0.00 0.00 236 S 8.11 4.17 0.00 4.12 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 0.00 237 W 8.33 4.17 0.00 3.53 3.66 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 0.00 238 I 8.63 3.33 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 0.78 0.00 0.00 239 K 8.31 3.82 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 240 Q 8.10 4.11 0.00 1.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 241 T 7.59 3.68 3.43 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 0.74 0.00 0.00 242 I 7.33 2.65 1.29 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 -0.30 0.00 0.36 0.00 0.00 243 A 7.70 4.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 S 7.34 4.62 0.00 3.97 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 0.00 245 N 7.85 4.68 0.00 3.11 3.02 0.00 0.00 6.75 7.01 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 * Residues marked with a * may have inaccurate shift predictions.