NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 3.7247 8.2393 118.8412 54.9613 31.1830 173.8065 9 P 4.4755 0.0000 0.0000 62.9094 32.1724 175.6008 10 L 3.9440 8.4690 122.7508 57.4031 42.5246 179.8811 11 S 4.3668 7.8116 111.8911 60.2885 63.5387 174.2495 12 R 2.9226 7.5745 121.2997 54.6858 30.8074 177.3241 13 F 2.7631 7.2605 114.8036 58.7831 38.1552 177.3728 14 W 2.7684 5.4776 117.1494 58.2957 28.0352 177.1769 15 E 4.1367 6.8601 118.8768 57.9698 28.9378 177.4631 16 W 4.9152 7.1410 112.2071 55.5780 29.8941 175.9745 17 G 3.6223 7.5189 108.9943 45.6920 0.0000 173.5489 18 K 4.3649 8.7276 121.3802 57.5268 33.2631 176.7677 19 N 5.2214 8.2605 114.2279 51.3938 42.9345 174.0052 20 I 4.8328 8.0488 120.7295 59.7339 41.3784 174.2034 21 V 4.6844 8.6753 127.0930 61.1279 34.4040 174.0101 22 C 5.0139 8.4945 124.6094 57.6777 31.4935 173.8653 23 V 3.7743 8.5853 124.2562 63.9817 31.7354 174.9458 24 G 3.9064 9.3839 114.3430 47.0760 0.0000 173.8754 25 R 4.8371 8.8054 117.8302 54.4760 32.6674 175.0308 26 N 5.1111 8.8861 120.3757 53.3005 40.6610 172.5084 27 Y 4.7694 7.9445 112.5539 57.3250 41.8767 177.5954 28 A 3.5747 7.7511 127.2749 54.3901 15.1986 176.7679 *40 S 4.7141 7.9139 117.5899 56.6341 65.0559 175.1039 41 E 4.5002 7.7359 115.7101 52.9818 32.4870 173.4661 42 P 4.0666 0.0000 0.0000 62.3734 32.0711 176.2241 43 V 4.0484 8.2122 122.0037 62.2711 32.9272 174.4515 44 L 5.3164 8.4757 127.1977 52.9823 44.4926 175.4568 45 F 5.0353 8.7352 117.1199 55.5122 42.0400 172.9844 46 L 5.2329 8.7462 117.9967 52.9115 44.5495 176.2348 47 K 4.8429 8.3437 120.5237 53.8370 35.3317 174.6399 48 P 4.5520 0.0000 0.0000 61.8942 32.6621 177.4041 49 S 4.0700 8.6376 113.7241 61.6944 63.0665 176.1734 50 T 4.1496 7.9163 108.7824 62.6432 68.8438 175.7625 51 A 4.1792 7.8774 126.4275 55.0057 18.6723 177.2639 52 Y 4.7356 7.6614 113.8527 58.9643 38.6271 176.7277 53 A 4.7082 8.7655 126.2529 48.9959 20.9444 173.5952 54 P 4.2808 0.0000 0.0000 62.6035 32.9723 175.7780 55 E 3.4036 8.1105 121.6152 57.7824 29.8158 177.1709 56 G 3.9316 8.6220 113.9638 45.0059 0.0000 173.2562 57 S 4.8485 7.5511 115.3629 55.9041 65.1831 172.1294 58 P 4.7876 0.0000 0.0000 62.3159 32.8103 175.7974 59 I 3.9823 8.3829 122.2165 61.4346 38.2583 174.8684 60 L 5.1216 8.4937 126.5103 53.1259 43.6677 175.5416 61 M 4.1643 8.5791 124.9247 53.8757 32.9964 174.4631 62 P 3.9392 0.0000 0.0000 62.2543 31.9338 177.2945 63 A 3.9746 8.0960 123.8498 54.4133 18.5445 177.9744 64 Y 4.4809 6.9617 112.0149 57.1474 38.7346 175.0811 65 T 4.7682 6.9906 116.7333 61.3003 69.7263 174.0381 66 R 4.6890 7.8682 123.1371 55.5920 31.3055 176.3788 67 N 4.7579 7.6713 113.3838 53.9101 41.6054 171.1018 68 L 4.9321 7.7479 123.8615 53.8087 44.2525 174.6612 69 H 6.2316 9.6820 123.7159 53.7211 31.3550 173.2397 70 H 5.0480 8.5544 116.3036 54.6184 30.9699 173.9521 71 E 4.7792 8.4837 119.6556 54.3952 33.2820 174.3831 72 L 4.5435 8.9035 128.3817 54.8144 43.3474 175.5873 73 E 5.1824 8.8724 124.5590 54.2381 34.7411 174.0841 74 L 4.4729 8.7605 125.5990 54.7558 43.7675 175.4118 75 G 4.5191 9.3845 113.9619 44.6557 0.0000 172.3806 76 V 4.6545 8.6181 123.9992 60.9259 33.7875 174.3723 77 V 4.4586 8.1749 128.7509 61.6853 33.2912 174.6206 78 M 4.5281 8.9997 128.8450 55.2965 32.4061 177.3917 79 G 4.0761 9.3340 111.8121 47.5525 0.0000 173.4283 80 K 4.9098 7.8283 117.2237 54.5170 36.3836 176.2527 81 R 4.1538 8.7545 121.1209 57.1494 30.7519 175.1543 82 C 4.3879 9.5542 126.7794 57.5682 34.1651 172.5751 83 R 4.5239 8.1678 126.6757 54.0307 31.7060 175.2829 84 A 3.6450 7.9289 132.4330 53.1023 16.3636 177.0166 85 V 4.0927 7.2233 114.5507 59.2550 33.7100 175.3950 86 P 4.4856 0.0000 0.0000 62.3538 32.2225 176.9479 87 E 4.0023 9.1225 119.3566 60.0779 29.1345 179.7989 88 A 4.0834 8.0876 118.2742 54.4153 18.8183 178.5109 89 A 4.4079 7.9996 117.6793 53.3547 19.3650 178.9926 90 A 4.0466 7.6750 119.9784 55.8101 18.5414 179.3909 91 M 4.3004 8.0888 115.4012 57.6016 31.9649 178.1540 92 D 4.4945 8.2571 118.7860 56.6975 41.3200 177.1802 93 Y 4.2111 7.9995 115.9221 57.4932 38.2640 175.1561 94 V 4.2239 7.0240 119.8085 62.2676 32.5899 175.5385 95 G 3.8384 8.8521 114.4260 47.9185 0.0000 172.6693 96 G 3.9530 7.3799 108.3673 46.3777 0.0000 172.0588 97 Y 5.4249 7.8283 119.3628 57.0126 43.3076 174.0762 98 A 5.0633 8.9052 121.7269 50.5545 23.5509 175.1728 99 L 4.6930 8.8497 123.4364 54.9290 43.5561 175.6206 100 C 5.4939 9.2525 123.0221 57.9462 33.0722 172.6348 101 L 5.0371 8.1896 120.1466 53.1660 43.8846 176.1205 102 D 4.5960 8.7346 126.0570 52.7177 39.3856 174.6075 103 M 4.4362 8.3477 120.7121 55.5783 33.2717 176.0304 104 T 4.8010 8.7895 119.1295 61.2642 72.9497 173.6254 105 A 4.5352 9.3489 129.6157 50.9103 17.6179 177.4380 106 R 3.6946 8.3951 123.8306 59.8720 30.1229 177.8825 107 D 4.2974 7.9015 118.4707 56.4351 39.4790 178.6047 108 V 3.5432 7.6679 119.2415 65.4836 31.5586 177.6840 109 Q 3.4972 7.7212 119.0628 59.1790 28.8345 177.5551 110 D 4.3636 7.9508 122.3873 58.4377 40.8076 179.8315 111 E 4.0218 7.8721 118.3725 61.1686 29.6980 180.7573 112 C 4.3964 7.9635 117.4028 62.7244 27.7171 176.2459 113 K 4.1485 8.1591 120.1249 59.6503 31.4351 179.5815 114 K 3.8328 7.8132 117.2767 58.5090 32.0681 178.5684 115 K 4.4964 7.8002 115.7421 55.0777 32.8874 176.7067 116 G 3.8994 7.5553 106.8712 46.4746 0.0000 173.9190 117 L 4.5605 7.7783 118.8422 52.1606 42.8781 175.2426 118 P 4.4810 0.0000 0.0000 62.8063 32.2162 176.9216 119 W 4.7229 8.7409 118.9602 57.4579 28.9285 178.2624 120 T 3.9824 7.6338 116.9416 67.3085 67.7771 176.2581 121 L 4.1673 7.9053 118.3145 57.6943 41.8838 179.0175 122 A 4.3420 8.1032 120.3448 54.0789 18.2491 178.5573 123 K 4.4929 8.0352 112.8870 56.0636 34.1885 176.8130 124 S 4.6257 8.4178 114.6216 57.9665 64.3167 174.0235 125 F 4.8252 7.0697 115.7175 55.1791 39.5526 174.7673 126 T 4.1364 8.6528 117.1589 65.3992 68.4180 173.9601 127 A 3.8742 8.2702 127.1020 53.3525 17.0113 177.9575 128 S 4.2446 7.5858 111.6603 60.3965 63.9294 173.1341 129 C 5.5355 8.2388 121.9663 55.6304 31.0125 171.0722 130 P 5.0549 0.0000 0.0000 62.3892 32.4194 176.9164 131 V 5.0466 7.9521 120.2030 60.4783 34.3147 174.4745 132 S 4.5694 8.7402 119.2510 57.1424 64.4778 173.5290 133 A 4.3892 8.5447 122.4643 52.4325 18.5543 176.8908 134 F 4.8261 9.1797 122.6719 58.3473 40.5786 174.8632 135 V 4.1088 8.2034 126.6346 60.2436 33.1192 173.0152 136 P 4.4736 0.0000 0.0000 62.5264 32.0508 177.9977 137 K 4.3560 8.6979 121.4736 59.1752 32.9296 179.2065 138 E 4.0453 8.1430 118.9243 59.1946 29.5808 178.2772 139 K 4.0982 8.0328 117.5311 58.0742 32.7997 176.9239 140 I 4.3516 7.2819 120.3930 58.3034 37.2815 174.1788 141 P 4.0836 0.0000 0.0000 64.8004 31.5986 176.6058 142 D 4.5457 7.6254 116.8706 51.8265 42.8680 173.6001 143 P 4.1798 0.0000 0.0000 64.3878 31.7182 176.4447 144 H 4.8129 8.1847 116.4433 56.0149 28.7313 175.4555 145 K 4.5417 7.6158 119.1683 56.2134 32.8787 176.2197 146 L 4.7037 8.1691 119.1936 53.2497 44.8105 175.7787 147 K 5.0018 8.4501 121.0055 54.8750 35.3422 174.7392 148 L 5.3688 8.9792 127.5902 53.0161 44.9096 175.4735 149 W 5.7825 8.1268 117.3385 55.6968 32.2548 173.2410 150 L 5.0820 9.0272 121.8159 54.0128 45.6090 174.1844 151 K 5.1263 9.9809 125.7394 54.6185 35.4432 175.2660 152 V 4.4026 8.3083 123.8679 61.3695 33.3477 175.3335 153 N 3.8617 9.7296 127.5897 54.5371 36.1218 175.9254 154 G 4.0005 8.7543 106.1979 45.0158 0.0000 173.6278 155 E 4.6250 7.5356 117.4185 53.7077 31.5317 175.2971 156 L 4.5496 8.4984 124.9285 55.4874 42.7723 175.8115 157 R 4.5621 9.3120 123.0418 57.1669 33.9105 175.3093 158 Q 4.9693 8.1427 117.2235 54.0437 31.7402 174.6776 159 E 5.2212 8.4001 124.6207 54.7441 33.2522 175.2554 160 G 4.2755 8.9255 109.2921 44.9907 0.0000 170.9641 161 E 5.3938 8.6959 119.6158 54.3954 32.0463 177.6023 162 T 4.2736 8.8309 114.4771 63.6535 69.1949 176.6752 163 S 4.2637 8.3439 116.2633 60.4750 63.2192 174.8685 164 S 4.5479 7.8369 114.0264 58.2195 62.9005 174.1360 165 M 3.7330 7.2318 121.1331 55.6018 32.2678 176.7758 166 I 3.5612 8.1332 124.5827 63.9084 37.4415 176.4892 167 F 4.9644 8.3616 118.3303 55.7475 40.4648 176.7405 168 S 4.5325 8.6040 120.1981 57.8793 65.2859 175.2722 169 I 3.7564 8.6330 124.3021 64.3640 36.9361 176.7959 170 P 4.3112 0.0000 0.0000 65.9260 31.1963 178.0352 171 Y 4.2893 7.9905 118.2561 60.6021 38.5893 178.0976 172 I 3.3717 8.1066 121.0805 64.2096 37.2607 178.2604 173 I 3.6078 7.8103 120.6826 64.4282 37.0574 178.3015 174 S 4.1419 7.9179 114.9464 60.9512 61.9137 175.1948 175 Y 3.8327 7.9012 122.4293 61.1231 38.2822 178.8954 176 V 3.3810 7.9840 113.2732 64.0051 31.6483 178.7752 177 S 4.0454 7.9596 115.4392 60.5975 62.5401 176.3362 178 K 4.0230 7.6415 120.4180 57.8091 31.8705 177.5898 179 I 4.0479 6.6195 118.6297 61.9866 38.7320 176.1189 180 I 4.4417 8.4399 122.5473 59.2167 39.7326 174.8699 181 T 4.2829 8.5329 122.6390 63.8000 69.2417 173.6083 182 L 4.8422 8.5294 125.6545 53.1290 44.1988 176.1676 183 E 4.6341 9.3284 123.5321 55.0309 31.4684 175.8480 184 E 4.3116 8.7482 122.4304 58.2500 29.9761 177.4621 185 G 3.6025 9.1830 115.1048 45.0368 0.0000 173.4639 186 D 4.8111 7.9909 119.9300 54.3298 42.2051 175.2546 187 I 5.0530 8.3451 120.7485 59.2825 42.0544 174.1702 188 I 4.9322 8.3254 127.4454 59.4247 40.1660 174.6740 189 L 4.6546 9.0047 129.0025 54.2150 42.7355 177.5130 190 T 4.6235 8.6661 114.4002 61.5029 69.6533 175.8273 191 G 4.2151 8.8799 107.1985 46.2810 0.0000 172.3198 192 T 5.2169 8.2371 112.8380 58.5847 69.8415 172.4288 193 P 4.1195 0.0000 0.0000 62.3662 33.2526 176.1671 194 K 4.0667 8.3575 122.4229 55.5213 33.1378 173.5734 195 G 4.0786 8.6141 105.2153 47.4505 0.0000 173.8801 196 V 3.6007 7.5567 118.9562 63.0022 32.3813 175.2376 197 G 3.9844 7.3971 109.8838 44.8607 0.0000 170.5679 198 P 5.2934 0.0000 0.0000 62.9009 32.3879 176.1588 199 V 4.7565 8.5982 115.1614 60.5793 36.0655 175.2576 200 K 4.6352 8.7291 123.8553 51.7739 35.3602 175.2431 201 E 4.0946 8.4659 116.9711 59.5703 29.5516 176.9436 202 N 4.5284 8.7106 121.3434 53.3702 37.5646 174.5316 203 D 4.7296 7.8713 118.9193 54.2939 42.4480 174.7574 204 E 5.0489 9.2038 122.4758 54.5762 32.3721 174.4685 205 I 4.8816 8.9504 128.4047 59.7012 39.5148 174.0612 206 E 5.1816 8.9833 128.1773 54.5147 32.0883 174.5189 207 A 4.0948 8.4267 126.8931 50.6449 23.6854 174.5932 208 G 3.6526 6.4583 104.6504 45.7560 0.0000 172.4152 209 I 4.8548 7.9487 121.0177 59.2869 39.2232 175.5159 210 H 4.4706 8.7635 125.0757 57.7387 28.8987 176.1897 211 G 4.0517 9.8924 110.7412 45.7161 0.0000 173.0172 212 L 4.6994 7.7871 117.1082 55.4216 45.4312 176.6738 213 V 4.5898 7.7479 116.4067 60.5639 34.3196 173.1541 214 S 5.0300 8.1786 114.8011 57.4571 66.3082 172.7759 215 M 4.8264 8.4574 116.5589 54.7059 34.4486 173.5933 216 T 5.2078 8.0280 117.1304 62.0248 71.8567 173.5029 217 F 4.8336 9.2188 122.6249 55.7134 44.3483 173.2885 218 K 5.0054 8.5928 122.3393 54.3381 35.0362 175.3246 219 V 4.1938 8.8158 128.5263 63.4043 32.7387 174.5851 220 E 5.0037 9.0424 127.7343 55.7292 34.3879 175.1476 221 K 4.7111 8.4591 125.0989 53.5074 33.2350 176.0554 222 P 4.4095 0.0000 0.0000 63.1045 31.8953 177.1391 223 E 4.3857 8.5217 123.8216 55.8182 28.3356 176.6682 *224 Y 4.2352 7.9127 120.1354 56.5518 37.2041 175.6824 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 8 R 8.24 3.72 0.00 1.85 1.84 0.00 3.22 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 9 P 0.00 4.48 0.00 2.25 2.13 0.00 3.55 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 10 L 8.47 3.94 0.00 1.10 0.34 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.81 4.37 0.00 4.06 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 12 R 7.57 2.92 0.00 1.58 1.24 0.00 3.13 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.00 13 F 7.26 2.76 0.00 2.48 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 14 W 5.48 2.77 0.00 2.38 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 6.86 4.14 0.00 1.97 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 2.34 1.56 0.00 16 W 7.14 4.92 0.00 3.42 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 17 G 7.52 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 18 K 8.73 4.36 0.00 1.81 1.92 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.57 7.81 19 N 8.26 5.22 0.00 2.90 2.64 0.00 0.00 6.78 6.62 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 20 I 8.05 4.83 1.85 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 0.74 0.00 0.00 21 V 8.68 4.68 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 0.89 0.00 0.00 0.85 0.00 0.00 22 C 8.49 5.01 0.00 1.23 2.18 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 23 V 8.59 3.77 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 0.80 0.00 0.00 0.89 0.00 0.00 24 G 9.38 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 25 R 8.81 4.84 0.00 1.91 1.97 0.00 3.27 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 26 N 8.89 5.11 0.00 2.93 2.87 0.00 0.00 6.96 7.56 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 27 Y 7.94 4.77 0.00 3.00 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 28 A 7.75 3.57 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 *40 S 7.91 4.71 0.00 3.67 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 41 E 7.74 4.50 0.00 1.49 1.80 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 2.16 2.24 0.00 42 P 0.00 4.07 0.00 1.61 1.59 0.00 2.20 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.81 0.00 43 V 8.21 4.05 2.18 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 0.95 0.00 0.00 0.98 0.00 0.00 44 L 8.48 5.32 0.00 1.50 1.46 0.96 0.78 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 45 F 8.74 5.04 0.00 3.10 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 46 L 8.75 5.23 0.00 1.54 1.56 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.34 4.84 0.00 1.46 1.55 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.32 7.81 48 P 0.00 4.55 0.00 2.22 2.19 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 49 S 8.64 4.07 0.00 4.27 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 0.00 50 T 7.92 4.15 4.29 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 1.08 0.00 0.00 109 Q 7.72 3.50 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.00 110 D 7.95 4.36 0.00 2.83 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 0.00 111 E 7.87 4.02 0.00 1.94 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 2.24 2.22 0.00 112 C 7.96 4.40 0.00 3.02 3.36 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 0.00 113 K 8.16 4.15 0.00 1.95 1.93 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.66 1.51 7.81 114 K 7.81 3.83 0.00 2.21 1.88 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.35 7.81 115 K 7.80 4.50 0.00 2.07 1.84 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.29 7.81 116 G 7.56 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 0.00 0.00 0.00 117 L 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.65 4.14 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 1.32 0.00 0.00 127 A 8.27 3.87 1.42 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 0.00 0.00 128 S 7.59 4.24 0.00 3.04 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.24 5.54 0.00 2.76 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 0.00 130 P 0.00 5.05 0.00 0.68 0.72 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.32 0.00 131 V 7.95 5.05 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 0.35 0.00 0.00 1.19 0.00 0.00 132 S 8.74 4.57 0.00 3.94 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 0.00 133 A 8.54 4.39 1.41 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 0.00 0.00 134 F 9.18 4.83 0.00 3.46 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 0.00 135 V 8.20 4.11 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 0.88 0.00 0.00 0.93 0.00 0.00 136 P 0.00 4.47 0.00 2.14 2.10 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 137 K 8.70 4.36 0.00 1.95 2.09 0.00 1.43 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.47 7.81 138 E 8.14 4.05 0.00 2.00 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 0.00 2.35 2.42 0.00 139 K 8.03 4.10 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.42 7.81 140 I 7.28 4.35 1.82 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 1.26 0.95 0.64 0.00 0.00 141 P 0.00 4.08 0.00 2.19 2.20 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 142 D 7.63 4.55 0.00 2.70 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 0.00 143 P 0.00 4.18 0.00 1.95 1.55 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.05 0.00 144 H 8.18 4.81 0.00 3.33 3.33 0.00 5.55 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.62 4.54 0.00 1.56 1.77 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.58 7.81 146 L 8.17 4.70 0.00 1.58 1.54 0.68 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.45 5.00 0.00 1.97 1.80 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.00 7.81 148 L 8.98 5.37 0.00 1.57 1.43 0.91 0.86 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 0.00 149 W 8.13 5.78 0.00 3.43 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 0.00 150 L 9.03 5.08 0.00 1.69 1.54 0.93 0.71 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 0.00 151 K 9.98 5.13 0.00 1.85 1.73 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.41 1.60 7.81 152 V 8.31 4.40 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 0.95 0.00 0.00 0.79 0.00 0.00 153 N 9.73 3.86 0.00 2.92 2.92 0.00 0.00 7.21 8.41 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 0.00 154 G 8.75 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 0.00 155 E 7.54 4.63 0.00 2.27 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 2.18 2.07 0.00 156 L 8.50 4.55 0.00 1.61 1.64 1.06 0.92 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 0.00 157 R 9.31 4.56 0.00 1.77 1.95 0.00 3.31 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 158 Q 8.14 4.97 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 159 E 8.40 5.22 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 160 G 8.93 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 0.00 0.00 0.00 0.00 161 E 8.70 5.39 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.83 0.00 162 T 8.83 4.27 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 163 S 8.34 4.26 0.00 4.01 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 0.00 164 S 7.84 4.55 0.00 4.08 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 0.00 165 M 7.23 3.73 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.71 0.00 166 I 8.13 3.56 1.47 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 1.06 0.24 0.03 0.00 0.00 167 F 8.36 4.96 0.00 3.12 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 0.00 168 S 8.60 4.53 0.00 4.08 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 0.00 169 I 8.63 3.76 1.96 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 1.72 0.64 1.02 0.00 0.00 170 P 0.00 4.31 0.00 2.26 2.36 0.00 3.68 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 2.22 2.25 0.00 171 Y 7.99 4.29 0.00 3.30 3.20 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 0.00 172 I 8.11 3.37 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.86 0.00 0.00 173 I 7.81 3.61 2.01 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 1.40 1.01 0.86 0.00 0.00 174 S 7.92 4.14 0.00 3.97 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 0.00 175 Y 7.90 3.83 0.00 2.16 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.98 3.38 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 0.87 0.00 0.00 0.84 0.00 0.00 177 S 7.96 4.05 0.00 4.04 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 0.00 178 K 7.64 4.02 0.00 1.72 1.74 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.45 7.81 179 I 6.62 4.05 1.72 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.17 0.77 0.00 0.00 180 I 8.44 4.44 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.86 0.00 0.00 181 T 8.53 4.28 4.21 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 1.19 0.00 0.00 182 L 8.53 4.84 0.00 1.56 1.54 0.85 0.60 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 0.00 183 E 9.33 4.63 0.00 1.95 1.94 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 2.33 2.44 0.00 184 E 8.75 4.31 0.00 2.18 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 2.66 2.65 0.00 185 G 9.18 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 0.00 186 D 7.99 4.81 0.00 2.75 2.59 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 0.00 187 I 8.35 5.05 1.98 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 1.25 1.43 1.05 0.00 0.00 188 I 8.33 4.93 1.86 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 1.17 0.52 0.87 0.00 0.00 189 L 9.00 4.65 0.00 1.50 1.81 0.90 0.40 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 0.00 190 T 8.67 4.62 4.33 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 1.33 0.00 0.00 191 G 8.88 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 0.00 192 T 8.24 5.22 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 193 P 0.00 4.12 0.00 1.89 1.44 0.00 3.67 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 194 K 8.36 4.07 0.00 1.47 1.74 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.02 7.81 195 G 8.61 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.56 3.60 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 0.73 0.00 0.00 0.90 0.00 0.00 197 G 7.40 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 0.00 0.00 0.00 198 P 0.00 5.29 0.00 2.11 2.12 0.00 3.69 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 199 V 8.60 4.76 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 0.62 0.00 0.00 1.04 0.00 0.00 200 K 8.73 4.64 0.00 1.67 1.65 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.20 7.81 201 E 8.47 4.09 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 202 N 8.71 4.53 0.00 2.97 3.00 0.00 0.00 7.03 8.04 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 0.00 203 D 7.87 4.73 0.00 2.87 2.59 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 0.00 204 E 9.20 5.05 0.00 2.05 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 2.33 2.26 0.00 205 I 8.95 4.88 1.94 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 1.07 0.53 0.91 0.00 0.00 206 E 8.98 5.18 0.00 2.18 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 2.35 2.31 0.00 207 A 8.43 4.09 0.95 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 0.00 208 G 6.46 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 I 7.95 4.85 1.85 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 1.15 1.06 0.90 0.00 0.00 210 H 8.76 4.47 0.00 3.18 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 G 9.89 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 0.00 212 L 7.79 4.70 0.00 1.72 1.64 0.88 0.87 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 0.00 213 V 7.75 4.59 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 0.67 0.00 0.00 0.96 0.00 0.00 214 S 8.18 5.03 0.00 4.03 4.04 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 0.00 215 M 8.46 4.83 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 216 T 8.03 5.21 4.10 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 1.18 0.00 0.00 217 F 9.22 4.83 0.00 2.97 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 0.00 218 K 8.59 5.01 0.00 1.81 1.66 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.41 7.81 219 V 8.82 4.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 220 E 9.04 5.00 0.00 2.08 1.77 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 2.24 2.28 0.00 221 K 8.46 4.71 0.00 1.54 1.58 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.03 7.81 222 P 0.00 4.41 0.00 2.03 2.01 0.00 3.58 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 223 E 8.52 4.39 0.00 1.95 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 2.24 2.28 0.00 *224 Y 7.91 4.24 0.00 2.32 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 * Residues marked with a * may have inaccurate shift predictions.