NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3051 8.3027 120.2172 56.4975 31.8217 177.4984 3 V 3.4648 8.1539 121.5986 65.9302 32.6231 174.9080 4 E 3.2412 8.4291 118.9409 59.0388 30.1331 177.6285 5 R 4.0634 7.1985 114.2498 57.0499 30.3169 176.8277 6 L 4.2667 7.4893 119.2099 54.1535 42.5846 177.5971 7 S 4.4940 9.0892 117.8272 57.6454 65.4232 175.4852 8 L 4.0553 8.4462 122.9231 58.0141 41.3590 179.7420 9 K 3.9297 8.0464 118.7735 59.6594 31.9914 178.0687 10 E 3.9344 7.9801 117.2893 59.6421 29.5271 178.6378 11 F 4.3640 8.6182 119.7315 61.7836 39.7126 176.8811 12 C 4.1334 8.2328 115.8843 62.8222 27.9913 176.2458 13 D 4.3232 8.1399 120.2324 55.2585 41.3678 179.0410 *15 V 3.8789 7.7647 120.1420 62.8424 33.0866 176.5650 16 A 4.0050 8.2134 121.7362 54.7168 18.3868 177.6325 17 E 4.0321 7.7271 115.5475 56.5669 30.1483 176.1860 18 R 4.2470 8.3409 123.6252 57.5075 30.2313 176.8560 19 K 4.6791 7.6698 116.5394 52.0246 35.4543 176.1156 20 P 4.4759 0.0000 0.0000 63.1229 31.1842 177.2719 21 T 3.6214 7.3187 115.9997 65.5826 68.6643 172.4985 22 P 4.5184 0.0000 0.0000 61.8669 31.8412 175.6191 23 G 4.2434 8.0967 112.8181 42.6678 0.0000 171.9306 24 G 3.8903 8.6799 105.9874 48.0492 0.0000 175.5269 25 G 3.8236 7.6206 108.0001 47.4303 0.0000 175.1128 26 A 4.0840 8.2089 123.1932 54.8654 18.3967 179.4605 27 V 3.9619 8.1369 116.6906 66.3186 31.5113 177.9953 28 G 4.0887 8.6403 107.0747 47.4851 0.0000 175.3501 29 S 4.0571 8.1864 118.0305 61.2703 62.6614 177.2759 30 V 3.4039 7.5079 119.4211 65.8440 31.3149 177.8950 31 V 3.8182 8.2650 117.4825 65.9017 31.5783 177.8115 32 G 3.7851 8.6544 105.6315 47.6225 0.0000 176.0797 33 A 3.9228 7.8898 120.3084 52.4281 18.2474 178.9856 *35 A 4.2308 7.9619 125.3470 53.9303 20.8104 179.8829 36 C 4.1236 8.3394 113.5273 62.8543 27.8323 176.1691 37 A 4.0534 7.7972 121.5308 55.1133 18.0185 179.3340 38 L 4.0871 7.8673 115.7779 57.9309 42.0869 179.0573 39 A 4.2037 7.9728 120.6572 54.9434 18.2408 180.0753 40 E 4.0453 8.5213 116.1056 56.8034 29.1665 178.7957 *42 V 4.0492 7.8359 118.5984 62.3746 33.6202 177.2821 43 A 3.8728 8.2098 122.5077 55.2756 18.8791 179.2425 44 N 4.2261 8.7860 113.9094 56.7057 38.5689 177.0242 45 F 4.3848 7.6670 112.4723 58.7133 38.8692 175.9188 46 T 4.1467 7.6262 118.1872 64.1879 68.6227 175.3795 47 R 4.1713 7.6078 119.1728 56.4222 30.3559 176.4220 48 K 3.9741 8.6144 116.8818 55.4396 29.8313 175.4956 49 K 4.6808 7.6279 120.7482 55.3176 34.9176 176.0579 50 K 4.8593 8.1409 127.4362 55.6028 32.1743 174.0045 51 G 3.8956 9.5237 112.5225 44.5680 0.0000 173.8634 52 Y 4.7625 7.8704 115.9166 57.5410 38.7847 177.4054 53 E 4.0690 8.2458 121.1971 59.0415 29.8766 177.7836 54 D 4.7513 8.0442 116.6547 53.6028 39.8230 176.7202 55 V 4.3432 7.7054 111.5920 61.3066 32.9053 177.3002 56 E 4.0555 8.0589 121.3504 59.2505 29.8445 176.5018 57 P 4.3504 0.0000 0.0000 65.8802 31.3996 179.2078 58 E 3.8820 7.7050 114.0085 56.9011 29.0497 178.1154 *60 E 4.2795 8.2204 118.9969 55.8566 31.7731 178.1805 61 R 3.8959 7.9290 118.3507 59.3195 29.7844 178.7797 62 I 3.6778 7.3855 118.6754 64.3084 37.2911 177.8777 63 V 3.7210 7.8234 117.3058 66.3484 31.5441 177.1105 64 E 4.1102 8.1672 118.3020 59.0718 29.3543 179.3100 65 A 4.0460 7.7659 118.7199 52.5601 18.0867 179.0557 *67 E 4.1839 8.3041 124.5102 58.7309 31.7074 179.1035 68 E 4.0467 8.0168 117.4355 60.7442 29.6077 180.7535 69 A 4.1930 8.3447 121.1387 55.1505 18.4102 179.8623 70 R 3.5760 7.8899 116.1049 59.4535 30.2501 178.9169 71 L 4.1713 7.6401 118.4329 57.9254 41.5420 179.9001 72 K 3.9898 8.0838 118.2325 59.4665 32.0360 179.5019 73 L 3.9296 8.0045 119.4998 57.8222 41.2122 179.5518 74 F 4.4689 8.4484 118.0447 60.6099 38.6994 177.2807 75 D 4.4005 8.1646 117.8288 57.3131 41.0669 178.3011 76 L 4.0272 8.3997 119.5638 57.1890 41.2915 179.4169 77 A 4.0128 7.8999 120.5461 54.9230 18.4536 179.0081 78 K 4.0117 7.5203 116.4796 59.8025 32.3051 178.5149 79 K 4.1452 8.2539 118.6488 59.5619 32.0528 179.0059 80 D 4.4220 8.0253 114.7284 55.6296 41.2298 177.5554 *82 E 4.2717 8.1281 118.7011 56.0747 31.6962 177.9781 83 A 4.0357 9.1046 121.4396 55.1207 18.0913 179.5133 84 F 3.9239 8.0721 118.1963 61.2480 39.5506 176.9417 85 E 4.2639 8.3349 116.8072 59.4291 29.4731 178.5943 86 K 4.0663 7.9085 118.0277 59.5767 32.6066 179.2426 87 V 3.6351 7.6887 116.4614 64.2914 30.9275 177.0450 *89 K 4.4476 7.9169 116.2224 53.4420 33.3567 179.8688 90 A 5.2010 8.0587 121.8557 54.1256 23.5958 179.4354 *91 Y 3.9960 8.1717 116.4057 59.6608 36.8043 183.6252 92 K 4.4504 7.9098 117.2422 54.5962 33.2590 179.9091 93 S 4.7226 7.5532 113.1519 57.1967 65.6600 173.6809 94 S 4.4820 7.9851 114.4761 58.9202 62.9497 175.2497 95 E 4.2173 8.6784 120.3151 58.7489 29.1101 179.4003 96 G 3.6199 8.0485 106.9618 47.6026 0.0000 175.4422 97 E 3.9452 8.0655 120.8327 58.5896 29.5718 179.3398 98 L 3.8396 7.7651 119.6569 58.3358 42.3869 178.7247 99 Q 3.8698 7.6593 118.0826 59.3105 28.7020 179.0040 100 N 4.1953 7.9652 117.1769 56.3372 38.9156 176.9230 101 A 3.9026 7.9048 122.3078 55.1292 18.4788 179.3024 102 L 3.8790 8.4164 117.8837 58.0439 41.4340 180.1319 103 K 3.6828 7.3738 116.6604 59.3857 32.2567 178.8535 104 E 4.1375 8.0245 118.4883 59.4518 29.4435 179.2668 105 A 4.0020 8.4229 120.8447 55.3100 18.2441 179.6124 106 A 4.0784 8.0748 117.9039 55.2761 18.4700 179.7459 107 S 4.2907 7.9583 113.2023 61.3164 63.1301 176.6200 108 V 3.7954 7.6939 121.2034 65.1293 31.5357 178.8110 109 P 4.6714 0.0000 0.0000 62.3228 30.5978 177.9810 *111 D 4.5439 8.2811 119.9238 55.6427 42.9416 178.2156 112 V 3.5791 7.8436 117.0392 66.3164 31.4668 177.7668 113 I 3.9436 7.9933 118.4415 64.4510 37.2160 178.3529 114 R 4.2727 7.8515 118.4316 59.0586 29.9756 180.1615 115 V 3.5860 7.6358 117.2005 63.0082 31.7545 177.6417 *117 K 4.1965 8.0608 119.4125 56.0718 34.2246 177.3484 118 D 4.3837 8.1484 118.5556 57.2690 40.5982 178.4718 119 L 3.9419 8.3976 121.0198 58.0105 42.0020 178.7617 120 A 3.9808 7.9693 120.1198 55.7526 18.4673 179.1063 121 H 4.0756 8.1457 114.5335 59.1734 28.6680 177.9482 122 E 4.0855 8.2346 120.0782 59.2658 29.3244 179.2875 123 L 4.0008 8.1730 119.3661 57.5437 41.4900 179.1416 124 E 3.9224 8.4868 119.6557 59.2011 29.5359 179.0213 125 K 4.1465 7.9912 118.3747 59.5282 32.0677 179.3701 126 L 4.0183 8.7511 119.4121 57.7436 41.3336 179.1128 127 A 3.8926 8.2030 120.0430 55.0460 18.2428 178.7034 128 E 3.9360 7.4983 116.1935 57.7399 30.1946 176.9312 129 F 4.9354 8.1869 114.2762 57.1423 40.5053 175.7960 130 G 3.8203 7.9952 110.4034 43.9214 0.0000 172.7771 131 N 3.6177 8.5134 117.9783 53.1995 38.7461 175.5356 132 K 3.8635 8.6434 126.4498 59.7358 32.3330 178.2376 133 N 4.7623 8.5576 113.9697 53.5395 38.4987 175.2033 134 L 4.6371 8.0451 117.3274 53.8605 43.2609 178.0993 135 A 3.9382 7.8237 124.3589 55.3456 18.1059 180.3916 136 S 4.0132 8.0894 112.0992 62.1925 62.7324 176.6214 137 D 4.4397 7.9056 122.1165 56.8895 40.4846 178.7212 138 T 3.8529 7.8993 116.3856 66.5022 68.4239 176.3278 139 L 3.9179 8.2422 122.5390 58.2661 42.1384 178.5774 140 N 4.3084 8.6391 116.5498 56.5444 38.5233 177.2841 141 A 4.0391 8.1403 121.7109 54.8784 18.3191 179.5990 142 A 4.0652 8.3329 119.8711 55.4248 18.5097 179.5518 143 D 4.4869 8.6295 117.8447 57.5680 40.8454 179.1100 144 L 3.9666 8.0937 119.3672 57.9369 41.5694 178.5981 145 C 3.8186 8.4460 118.9796 63.1674 31.2858 175.0685 146 H 3.8450 8.3962 119.2343 59.3450 29.2460 176.9799 147 A 4.0645 7.9757 122.2504 55.1132 18.1606 179.7062 148 V 3.4567 8.0596 117.0434 66.0384 31.5280 177.8098 149 F 4.0356 8.3630 120.5356 61.5407 39.3058 177.0231 150 Q 3.5407 8.1748 117.7161 58.7528 28.5703 178.9136 151 V 3.4814 8.1707 119.4306 66.3547 31.4810 178.0661 152 E 3.9320 8.4024 118.4649 58.8612 29.1320 179.2348 153 K 3.6119 7.6614 120.0478 59.4366 32.1111 178.7768 154 V 3.5169 7.3800 118.0510 66.3107 31.2396 177.7811 155 N 4.3523 7.9543 115.8335 56.0086 38.3109 177.4530 156 V 3.6282 8.5053 120.4896 66.2482 31.7087 178.2125 157 L 4.0281 8.2547 119.1632 57.5991 41.2113 179.3755 158 I 3.7371 7.9199 112.7480 64.1224 37.5617 177.9169 159 N 4.4618 7.9881 118.1564 56.0959 38.4297 177.0840 160 L 4.0689 8.0560 120.7305 58.0110 41.5875 179.8722 161 K 4.0518 7.7727 116.3292 59.4696 32.4579 178.1661 162 E 4.2990 8.0148 118.1936 56.1999 29.8661 176.1336 163 I 4.3010 7.4037 121.5772 60.1055 37.9796 176.0642 164 S 4.2143 8.8172 120.7041 60.2637 63.6891 174.0203 165 D 4.3652 8.1090 119.7309 54.1570 41.0011 175.7817 166 E 3.9626 8.7465 128.2232 59.4946 29.7470 178.4425 167 T 3.8561 7.9905 109.1471 64.8530 68.5887 175.5654 168 F 3.9966 8.4835 122.6580 61.0835 39.3665 177.0290 169 R 4.1396 7.8196 115.5407 59.4392 30.2747 178.7121 170 K 4.1029 8.5538 118.4068 59.6202 31.9445 179.1807 171 N 4.2864 8.2788 112.5798 54.5804 38.1354 176.5544 *173 L 4.2009 7.7829 122.6002 54.8867 44.1041 178.6320 174 E 3.8711 8.2117 118.7093 59.2873 29.4229 178.2592 175 E 3.8620 8.2802 119.3942 59.4302 29.5884 178.2766 176 L 3.9710 8.0379 119.6232 58.4676 42.0643 178.4671 177 E 3.9590 8.1638 118.8684 59.2867 29.5935 178.7458 178 E 3.9444 8.1228 118.3622 59.5915 29.5448 179.2663 179 Q 3.9783 8.3618 118.4022 58.8310 28.6708 178.3896 180 E 3.1217 8.4844 120.3315 59.2044 29.5501 178.9062 181 A 3.8568 7.7023 120.2122 55.0983 18.3996 179.6062 182 Q 3.8804 8.0781 116.4955 59.1527 28.7532 179.1488 183 I 3.5512 7.8139 120.9783 64.3469 37.1105 178.1446 184 E 4.0792 8.6422 120.1371 59.5831 29.2541 179.5538 185 G 3.5891 8.2917 105.6551 48.0673 0.0000 175.0778 186 C 4.0761 8.1564 119.8689 62.4781 28.1652 175.7177 187 Y 4.1920 8.2067 120.8909 60.8831 38.3415 178.0211 188 Q 3.6130 8.4746 120.5323 59.1361 28.9625 178.2263 189 R 3.8274 7.7679 117.7186 59.3682 30.2232 178.7751 190 V 3.6197 7.9741 116.4087 65.9776 31.8472 177.4850 191 K 3.8800 7.8683 118.4076 59.4746 31.6610 179.9108 192 K 3.9171 8.0275 114.7178 57.1611 32.2146 177.3197 *194 L 4.1741 7.8747 116.8436 53.3083 43.5557 178.4056 195 E 3.9149 8.1469 118.6691 59.3332 29.2324 179.1123 196 G 2.2972 7.5304 105.3664 45.8955 0.0000 175.0048 197 I 3.6576 7.2025 115.4112 62.8818 37.4190 178.0857 198 V 3.6654 6.7634 120.4886 63.3634 31.4008 176.5797 199 W 5.0123 6.9309 113.7866 55.4255 29.6537 175.0519 200 S 4.6848 7.7577 114.6165 56.7930 63.0342 174.2805 201 S 4.3622 8.6237 119.2566 58.1606 63.0221 173.9272 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 2 E 8.30 4.31 0.00 2.00 1.84 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 2.29 2.26 0.00 3 V 8.15 3.46 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 0.96 0.00 0.00 1.03 0.00 0.00 4 E 8.43 3.24 0.00 1.54 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 5 R 7.20 4.06 0.00 1.93 1.92 0.00 3.16 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 6 L 7.49 4.27 0.00 1.75 1.66 1.08 0.77 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 7 S 9.09 4.49 0.00 4.04 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 8 L 8.45 4.06 0.00 1.75 1.83 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.05 3.93 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.54 7.81 10 E 7.98 3.93 0.00 2.32 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 2.37 2.35 0.00 11 F 8.62 4.36 0.00 2.90 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 0.00 12 C 8.23 4.13 0.00 3.28 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 13 D 8.14 4.32 0.00 2.77 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 *15 V 7.76 3.88 1.93 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 0.62 0.00 0.00 0.25 0.00 0.00 16 A 8.21 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.73 4.03 0.00 1.99 1.81 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 2.29 2.22 0.00 18 R 8.34 4.25 0.00 1.78 1.87 0.00 3.38 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 19 K 7.67 4.68 0.00 1.76 1.51 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.95 7.81 20 P 0.00 4.48 0.00 1.18 1.94 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 21 T 7.32 3.62 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 22 P 0.00 4.52 0.00 1.93 2.10 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 23 G 8.10 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 24 G 8.68 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 0.00 0.00 0.00 25 G 7.62 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.21 4.08 1.53 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 27 V 8.14 3.96 2.31 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 1.11 0.00 0.00 1.03 0.00 0.00 28 G 8.64 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.19 4.06 0.00 4.06 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 30 V 7.51 3.40 2.19 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 0.60 0.00 0.00 0.60 0.00 0.00 31 V 8.27 3.82 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 0.87 0.00 0.00 1.02 0.00 0.00 32 G 8.65 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 33 A 7.89 3.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.96 4.23 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 36 C 8.34 4.12 0.00 3.08 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 37 A 7.80 4.05 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 38 L 7.87 4.09 0.00 1.78 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.97 4.20 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 40 E 8.52 4.05 0.00 2.10 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 2.30 2.32 0.00 *42 V 7.84 4.05 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 0.91 0.00 0.00 1.01 0.00 0.00 43 A 8.21 3.87 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 44 N 8.79 4.23 0.00 2.71 2.60 0.00 0.00 7.06 7.85 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 45 F 7.67 4.38 0.00 2.90 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 46 T 7.63 4.15 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 0.95 0.00 0.00 47 R 7.61 4.17 0.00 2.26 2.06 0.00 2.90 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.53 0.00 48 K 8.61 3.97 0.00 1.93 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.22 7.81 49 K 7.63 4.68 0.00 1.80 1.95 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.51 7.81 50 K 8.14 4.86 0.00 1.82 1.59 0.00 1.72 0.00 0.00 2.61 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.97 7.81 51 G 9.52 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 52 Y 7.87 4.76 0.00 3.26 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.62 1.66 0.00 62 I 7.39 3.68 1.88 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 1.43 0.84 0.93 0.00 0.00 63 V 7.82 3.72 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 0.81 0.00 0.00 0.97 0.00 0.00 64 E 8.17 4.11 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 65 A 7.77 4.05 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 *67 E 8.30 4.18 0.00 2.26 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 2.55 2.26 0.00 68 E 8.02 4.05 0.00 2.01 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 2.24 2.19 0.00 69 A 8.34 4.19 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 70 R 7.89 3.58 0.00 2.04 1.96 0.00 3.07 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 71 L 7.64 4.17 0.00 1.86 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0.00 1.26 1.02 7.81 90 A 8.06 5.20 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 Y 8.17 4.00 0.00 2.34 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 92 K 7.91 4.45 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 0.97 7.81 93 S 7.55 4.72 0.00 4.16 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 94 S 7.99 4.48 0.00 3.97 4.15 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 95 E 8.68 4.22 0.00 1.98 2.01 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 2.37 2.29 0.00 96 G 8.05 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 97 E 8.07 3.95 0.00 1.99 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 2.38 2.36 0.00 98 L 7.77 3.84 0.00 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0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 *117 K 8.06 4.20 0.00 1.82 2.07 0.00 1.89 0.00 0.00 2.03 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 118 D 8.15 4.38 0.00 2.95 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 0.00 119 L 8.40 3.94 0.00 1.71 1.66 0.92 0.93 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 0.00 120 A 7.97 3.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.15 4.08 0.00 3.36 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.23 4.09 0.00 2.17 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 2.60 2.51 0.00 123 L 8.17 4.00 0.00 1.87 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.49 3.92 0.00 2.02 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 2.29 2.32 0.00 125 K 7.99 4.15 0.00 2.11 2.03 0.00 1.95 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.61 7.81 126 L 8.75 4.02 0.00 1.79 1.72 1.00 0.97 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 0.00 127 A 8.20 3.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.50 3.94 0.00 1.58 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 1.47 1.91 0.00 129 F 8.19 4.94 0.00 3.12 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 0.00 130 G 8.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.51 3.62 0.00 2.31 2.56 0.00 0.00 7.64 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 0.00 132 K 8.64 3.86 0.00 1.91 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.63 7.81 133 N 8.56 4.76 0.00 2.59 2.77 0.00 0.00 6.80 8.72 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 0.00 134 L 8.05 4.64 0.00 1.74 1.51 0.68 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.82 3.94 1.23 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 0.00 0.00 136 S 8.09 4.01 0.00 4.01 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 0.00 137 D 7.91 4.44 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.90 3.85 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 139 L 8.24 3.92 0.00 1.86 1.64 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.64 4.31 0.00 2.90 2.87 0.00 0.00 6.96 7.16 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 0.00 141 A 8.14 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.33 4.07 1.53 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 0.00 143 D 8.63 4.49 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.09 3.97 0.00 1.71 1.72 0.93 0.65 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 0.00 145 C 8.45 3.82 0.00 3.05 3.18 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 0.00 146 H 8.40 3.84 0.00 2.13 2.98 0.00 5.64 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 0.00 147 A 7.98 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.06 3.46 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 1.08 0.00 0.00 1.04 0.00 0.00 149 F 8.36 4.04 0.00 3.17 3.18 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 0.00 150 Q 8.17 3.54 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 151 V 8.17 3.48 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 1.03 0.00 0.00 0.94 0.00 0.00 152 E 8.40 3.93 0.00 1.84 1.92 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 2.50 2.43 0.00 153 K 7.66 3.61 0.00 0.93 1.50 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.29 7.81 154 V 7.38 3.52 2.15 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 1.03 0.00 0.00 0.87 0.00 0.00 155 N 7.95 4.35 0.00 2.94 2.86 0.00 0.00 6.67 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.51 3.63 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 1.03 0.00 0.00 1.02 0.00 0.00 157 L 8.25 4.03 0.00 1.69 1.69 0.91 0.57 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 0.00 158 I 7.92 3.74 1.88 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 1.80 0.60 0.91 0.00 0.00 159 N 7.99 4.46 0.00 2.89 2.92 0.00 0.00 6.95 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 0.00 160 L 8.06 4.07 0.00 1.85 1.80 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.77 4.05 0.00 1.94 1.96 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.48 7.81 162 E 8.01 4.30 0.00 2.07 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 2.45 2.44 0.00 163 I 7.40 4.30 2.05 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 1.22 0.46 0.85 0.00 0.00 164 S 8.82 4.21 0.00 3.98 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 0.00 165 D 8.11 4.37 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.75 3.96 0.00 2.09 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 2.41 2.40 0.00 167 T 7.99 3.86 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 1.24 0.00 0.00 168 F 8.48 4.00 0.00 3.21 3.28 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 0.00 169 R 7.82 4.14 0.00 2.11 2.03 0.00 3.32 0.00 0.00 3.54 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 170 K 8.55 4.10 0.00 1.84 1.87 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.37 7.81 171 N 8.28 4.29 0.00 2.65 2.67 0.00 0.00 7.00 6.41 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 *173 L 7.78 4.20 0.00 2.06 1.75 0.97 0.82 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 0.00 174 E 8.21 3.87 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 175 E 8.28 3.86 0.00 2.01 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 2.31 2.32 0.00 176 L 8.04 3.97 0.00 1.81 1.93 1.03 0.84 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 0.00 177 E 8.16 3.96 0.00 2.34 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 2.32 2.38 0.00 178 E 8.12 3.94 0.00 2.20 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 2.35 2.45 0.00 179 Q 8.36 3.98 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 180 E 8.48 3.12 0.00 2.32 2.19 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 2.25 2.04 0.00 181 A 7.70 3.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Q 8.08 3.88 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 183 I 7.81 3.55 1.48 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.61 0.00 0.00 184 E 8.64 4.08 0.00 2.10 2.01 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 2.22 2.49 0.00 185 G 8.29 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 0.00 186 C 8.16 4.08 0.00 3.06 2.98 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 0.00 187 Y 8.21 4.19 0.00 3.05 3.22 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 0.00 188 Q 8.47 3.61 0.00 2.34 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 189 R 7.77 3.83 0.00 1.90 1.94 0.00 3.20 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 190 V 7.97 3.62 2.15 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 0.78 0.00 0.00 0.99 0.00 0.00 191 K 7.87 3.88 0.00 1.61 1.63 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.04 7.81 192 K 8.03 3.92 0.00 2.02 1.85 0.00 1.95 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.35 7.81 *194 L 7.87 4.17 0.00 1.74 1.61 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 195 E 8.15 3.91 0.00 2.12 2.26 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 2.39 2.21 0.00 196 G 7.53 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 I 7.20 3.66 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.62 0.80 0.00 0.00 198 V 6.76 3.67 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.90 0.00 0.00 199 W 6.93 5.01 0.00 3.30 3.34 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 0.00 200 S 7.76 4.68 0.00 4.02 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 0.00 201 S 8.62 4.36 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.