NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7291 8.2785 119.2227 53.7225 41.6631 176.0871 3 A 3.9097 7.8299 119.2772 54.8958 18.8392 178.1408 4 Q 3.8036 8.4566 118.0297 58.9100 29.0713 177.1440 5 A 4.0994 7.8423 121.4436 55.0819 18.5598 179.4049 6 E 4.0091 8.0663 116.4200 59.6488 29.5871 179.4142 7 E 3.9948 8.2188 118.7004 59.2859 29.4225 179.2083 8 F 4.1086 8.0874 120.7400 61.0415 39.3324 176.8021 9 K 3.2945 8.2227 119.4992 59.5498 31.8174 178.8379 10 K 3.8912 7.8591 118.4389 59.4656 31.7798 178.5734 11 Y 4.1249 8.1681 119.0407 60.8316 38.8346 178.1238 12 L 3.7099 7.7998 119.8901 57.5918 41.2699 178.9220 13 E 4.2089 7.9447 119.7515 59.3902 29.3682 180.0551 14 T 3.9462 8.2986 113.5547 65.4454 68.7234 174.9371 15 N 4.7629 8.0633 119.0170 53.7273 40.6033 174.9543 16 G 3.9449 7.4776 103.9651 46.8341 0.0000 175.2463 17 I 4.4589 7.2045 117.4605 59.3173 40.1268 175.6227 18 K 4.4216 8.4450 125.1201 54.3010 33.4582 174.9775 19 P 3.4653 0.0000 0.0000 62.2927 32.6279 175.4876 20 K 4.4231 8.1947 118.5728 54.7445 36.0138 175.6448 21 Q 4.9266 8.2853 122.8720 54.6736 30.7226 175.0466 22 F 5.1312 9.3273 120.6482 56.1087 43.8948 173.5548 23 H 5.4117 9.2702 117.5175 53.0348 31.8861 173.4431 24 K 3.8696 8.5727 119.1051 58.7058 31.8449 176.5131 25 K 4.3693 8.9942 126.0860 55.9500 31.0665 176.7184 26 E 4.2597 8.0068 118.7410 56.2525 30.9568 176.1243 27 L 4.6170 8.2361 121.8939 53.1662 42.6944 176.3079 28 I 3.7157 7.7945 126.0474 63.7628 37.5816 176.7471 29 F 5.2489 7.4315 114.7682 55.1297 41.8673 173.3758 30 N 5.5432 8.8998 116.3009 50.8318 40.0828 175.1096 31 Q 4.2243 8.9092 116.8464 57.3738 28.5343 176.7385 32 W 4.5087 8.3976 118.1140 56.5331 30.0074 175.3825 33 D 4.6739 8.0226 119.7625 53.1142 40.7565 174.3447 34 P 4.4690 0.0000 0.0000 64.0422 32.0139 176.0956 35 Q 4.0631 8.3591 121.5109 55.5955 29.8571 174.4300 36 E 4.4754 8.0974 123.6234 55.0968 32.2166 174.4041 37 Y 5.2333 8.3653 119.1740 56.4679 43.1826 173.7772 38 C 5.1661 9.6147 122.1343 57.9083 33.6161 172.2739 39 I 4.9069 9.0859 121.1369 59.3145 39.7961 174.5158 40 F 5.4455 9.5251 129.8987 56.4295 40.5237 174.2378 41 L 4.2926 8.6005 129.8702 55.3145 42.1293 176.7041 42 Y 3.9887 8.7527 128.8350 60.1279 39.2936 175.0033 43 D 4.5041 8.2477 117.2420 53.6256 45.4038 173.0971 44 G 4.1054 8.6814 108.6400 44.1871 0.0000 172.1200 45 I 5.2363 8.4960 119.0159 59.8091 40.7094 175.5694 46 T 5.4488 9.2054 115.7130 60.6945 73.0076 172.2195 47 K 4.8910 8.6707 118.7476 55.5556 36.4143 174.6478 48 L 5.1422 8.7918 125.2644 53.8061 43.7897 175.2242 49 T 5.6275 8.6835 115.8608 58.9174 72.5604 172.7153 50 S 4.9701 8.5907 116.5234 56.5795 66.0303 172.3427 51 I 4.9200 7.9942 126.4159 59.4369 39.2834 175.9627 52 S 4.3903 8.8682 123.8767 57.8548 63.7214 174.8803 53 E 3.9795 8.7734 121.7482 59.5657 29.2196 177.5451 54 N 4.4523 8.0438 113.6087 53.9031 37.9284 175.6610 55 G 4.0560 7.7255 107.7374 45.4162 0.0000 173.4087 56 T 4.2110 8.1390 117.0777 63.0823 69.5377 173.5087 57 I 4.5666 8.0319 119.7222 59.4840 39.6915 174.4286 58 M 4.6948 8.5503 125.6782 53.7311 34.8746 173.9482 59 N 4.7273 8.8126 124.0068 52.6616 39.3802 175.8320 60 L 4.1434 9.1407 125.4980 57.1554 42.6082 177.3134 61 Q 4.4505 7.3646 115.9299 55.4168 32.2030 172.4178 62 Y 4.8090 8.5942 122.0070 57.4524 39.6263 174.5396 63 Y 4.7288 8.9558 120.0553 56.1557 41.5797 174.5388 64 K 4.9769 8.8809 124.7845 55.6122 35.1166 177.6569 65 G 3.7465 8.7490 111.2989 45.7924 0.0000 172.8998 66 A 5.1799 8.4609 124.3559 50.9053 19.9697 176.9422 67 F 4.8248 8.4958 123.4121 57.8709 43.3699 172.1714 68 V 5.1233 7.4551 119.8537 61.0927 34.1495 174.6142 69 I 4.7174 8.8752 127.2001 59.6927 41.1760 173.9080 70 M 5.2221 8.7119 125.4394 53.8103 34.8837 174.8670 71 S 4.5219 8.9341 119.1733 58.0046 64.5349 173.4874 72 G 4.2834 7.4923 106.2341 44.3925 0.0000 172.3302 73 F 4.6258 8.8455 120.2819 56.8521 39.4604 177.2013 74 I 3.6030 8.7900 123.5312 63.5521 38.1759 176.1288 75 D 4.5977 8.0709 118.8243 56.3436 40.3544 177.3080 76 T 4.0860 7.7631 108.1783 62.0675 69.5128 175.3451 77 E 4.0470 8.4679 120.6221 57.3203 27.4775 173.8903 78 T 4.5954 7.1391 108.3700 59.3150 71.3201 173.4375 79 S 4.4414 8.2541 116.3312 58.3477 62.7450 174.4160 80 V 3.0902 7.4759 119.3319 61.4909 31.6035 175.5604 81 G 3.7719 6.7169 105.7960 43.3806 0.0000 172.9165 82 Y 4.5255 7.4062 118.3529 56.4270 38.9442 174.8554 83 Y 4.9634 8.3336 121.0475 56.9144 43.0300 173.6326 84 N 5.0237 9.2976 117.0159 51.4613 42.5716 173.9949 85 L 4.6470 7.6733 124.5544 53.3522 44.1161 174.4153 86 E 4.9377 8.8294 128.4049 54.2897 32.3081 174.8648 87 V 4.3652 8.2703 126.6342 62.6694 32.4167 176.2299 88 I 4.5037 8.6607 127.1348 61.4739 39.6736 176.3696 89 S 4.5250 8.0564 115.5404 56.8811 64.2386 173.7192 90 E 4.0791 8.7312 121.8064 58.8316 29.5510 176.4925 91 Q 4.9846 7.7037 116.6109 54.6379 32.6820 173.9540 92 A 4.9398 8.9178 123.6780 51.2113 23.5297 175.1330 93 T 5.3030 9.0666 113.8678 60.4641 71.0707 172.7115 94 A 5.3196 9.3108 129.0919 50.8263 23.6126 174.3091 95 Y 4.5438 9.3763 118.9992 56.5125 39.9332 175.3027 96 V 4.5177 8.5539 125.6611 61.6959 32.3885 174.5402 97 I 4.6825 8.7224 129.3509 58.8107 40.7375 175.1062 98 K 4.3514 8.6579 128.1949 56.0360 32.6203 177.9140 99 I 3.6374 8.3787 123.4730 64.1868 37.5331 177.6228 100 N 4.4776 8.0766 115.7729 54.5702 37.5342 175.6949 101 E 4.4839 8.2466 120.3613 56.4254 30.6112 177.5720 102 L 3.9648 7.5899 121.4830 57.7708 42.1912 178.3828 103 K 3.6959 7.9795 119.0989 59.6442 32.2548 178.1398 104 E 3.9145 8.1243 118.0141 59.6686 29.2413 179.1947 105 L 4.1133 7.4024 117.2685 57.7922 41.5320 179.0784 106 L 4.2745 7.7695 118.0473 56.6845 41.6268 179.0939 107 S 4.3001 7.7198 113.3675 60.8133 63.2336 176.2184 108 K 4.4944 7.8685 120.6664 57.5010 32.1342 176.6779 109 N 4.6483 7.7157 117.8959 51.3384 40.1555 174.6492 110 L 4.1677 8.4940 127.1959 57.3785 41.7283 179.2110 111 T 3.8816 7.8447 113.4576 65.5924 67.3130 175.8371 112 H 4.2874 7.9461 117.4325 58.2487 28.7195 177.3750 113 F 4.1954 7.8793 122.8306 61.5133 39.2183 177.2796 114 F 4.2506 8.2395 117.3219 60.3511 38.7345 177.2029 115 Y 4.1179 7.9857 119.0425 60.7098 38.7656 178.1813 116 V 3.0695 7.6009 119.1124 65.8412 31.6028 177.6245 117 F 4.0795 8.4819 120.5353 61.3672 39.0985 176.9109 118 Q 3.9736 8.1769 119.5460 59.2722 28.8810 178.2688 119 T 3.6996 7.3916 110.5806 64.3383 68.6362 176.4771 120 L 3.8655 7.5170 122.9506 57.9662 42.0757 178.7745 121 Q 3.8978 7.6462 118.0121 58.9600 28.5824 179.1385 122 K 4.2395 8.1402 119.3747 59.5497 32.1724 179.2323 123 Q 4.0278 8.4667 119.7680 59.2429 28.9534 177.9684 124 V 3.5568 8.2862 119.8683 66.4170 31.6421 178.1675 125 S 4.1937 8.4248 113.7181 61.5952 62.8608 175.7723 126 Y 2.7990 8.2607 123.2781 60.2199 38.3409 178.1305 127 S 3.9123 7.9797 116.0981 61.2400 62.7959 176.6645 128 L 3.9743 7.6251 121.7476 57.7136 41.3883 179.3514 129 A 3.9168 7.6492 120.4462 55.0014 18.1933 179.6607 130 K 3.7206 7.4745 118.0138 59.2072 32.0196 178.7870 131 F 4.1043 8.1860 121.1359 61.2990 39.5047 176.4044 132 N 4.0746 8.3600 116.7227 57.0430 38.5278 176.5513 133 D 4.4974 7.8962 118.6056 57.4152 40.9795 178.5658 134 F 4.2159 8.5628 117.7360 60.3144 38.9283 177.4902 135 S 4.2648 7.5668 113.9722 60.8115 62.7565 175.6407 136 I 4.0000 7.1565 120.7425 63.4059 37.4138 176.2287 137 N 5.0481 7.6284 116.5053 52.5604 40.7522 175.3038 138 G 3.8786 8.0787 106.7767 46.7624 0.0000 175.9428 139 K 4.0741 8.3721 118.0776 57.7879 32.4372 178.5707 140 L 3.8574 7.7642 121.3826 58.0142 42.2058 178.4608 141 G 3.8774 7.7565 105.0846 48.2430 0.0000 175.6669 142 S 2.7900 7.3813 116.9654 60.9698 62.8658 176.7798 143 I 3.5599 7.0983 122.4841 64.5580 36.7888 178.2810 144 C 4.1302 7.7002 117.2553 62.8774 27.9430 176.4355 145 S 4.1972 7.8482 116.6058 61.6860 62.4908 176.5442 146 Q 4.1677 8.2294 122.4065 59.3744 28.7801 178.3318 147 L 3.9837 8.0542 119.8576 57.4257 41.4914 179.3550 148 L 3.9763 8.2720 120.8096 58.1014 42.0893 178.8532 149 I 4.0629 8.1083 119.8438 64.6668 37.0215 178.4173 150 L 4.2216 8.1397 119.6430 57.8625 41.6377 179.4812 151 T 3.7633 8.0920 115.9642 66.8194 68.1317 176.3159 152 Y 3.7913 7.6413 117.3726 60.9140 37.8959 178.3101 153 V 3.5564 7.4529 117.7623 65.4054 31.9247 176.1188 154 Y 4.6819 7.9014 113.7371 57.4120 39.5294 175.9795 155 G 3.9267 7.9361 107.5746 45.9539 0.0000 173.4940 156 K 4.6862 9.0042 125.0680 53.9257 35.2559 175.2334 157 E 4.4726 8.9134 127.3920 57.0586 30.1537 176.5160 158 T 4.7237 9.2227 113.0198 59.5545 71.9354 173.1190 159 P 4.4340 0.0000 0.0000 64.7922 31.4053 176.6441 160 D 4.5441 7.9335 116.4420 53.4282 41.9447 174.7599 161 G 3.8671 7.8419 103.8639 44.7158 0.0000 173.1266 162 I 4.7316 8.2418 124.0211 59.5441 38.8615 175.3656 163 K 3.6584 8.7812 130.7672 55.6523 33.0965 175.9602 164 I 4.2693 7.8696 129.8057 60.4767 37.3421 177.2822 165 T 4.2944 8.1740 123.1608 60.8055 67.0704 175.5936 166 L 4.3588 7.3163 120.5461 53.5908 43.5698 176.4069 167 D 4.5462 8.9512 124.0681 57.0758 41.3491 177.2730 168 N 5.1329 7.6561 113.2507 52.6009 39.4235 176.3267 169 L 4.3273 7.8327 120.7233 54.4232 41.2320 175.8155 170 T 4.4395 7.8431 113.8154 60.6412 70.4491 176.6363 171 M 4.1799 8.5693 121.9413 58.3246 31.7735 178.7955 172 Q 3.6554 7.5054 119.0887 58.7761 29.1829 178.0939 173 E 3.9725 7.8714 119.4269 59.4094 29.6905 179.0894 174 L 4.1273 7.9872 118.6446 57.9671 41.6929 179.7862 175 G 3.5987 7.9193 105.2432 47.9564 0.0000 175.4288 176 Y 4.6564 7.5367 118.8499 61.0392 37.6389 178.4122 177 S 4.6784 8.3436 116.3479 59.7706 63.1896 175.6489 178 S 4.8649 8.0249 114.4528 57.2488 63.3500 174.1834 179 G 3.9132 8.0989 109.6745 46.9573 0.0000 173.5560 180 I 4.2732 8.2383 121.3267 59.2781 37.8731 176.1239 181 A 4.1571 8.7418 129.4489 54.7030 18.3675 177.0909 182 H 4.7529 8.0004 113.5383 54.6787 29.6630 176.5479 183 S 4.2835 8.6474 120.7731 60.9435 62.9995 176.6923 184 S 4.0955 8.1981 115.0339 61.0705 62.9807 176.3268 185 A 3.7414 7.6185 122.4291 54.6323 18.2121 177.3566 186 V 4.1795 7.0802 114.6146 63.2041 31.9593 176.7005 187 S 4.7063 8.0430 113.2703 58.8260 69.1151 176.7059 188 R 3.8370 7.6280 117.1284 59.7073 28.4952 178.8669 189 I 3.7424 7.6157 119.6847 64.1249 37.1104 178.3029 190 I 3.8511 7.5561 120.2414 64.4185 37.0577 178.5396 191 S 4.1155 9.1666 117.1495 61.4102 62.6330 176.5045 192 K 3.8973 8.1970 122.3276 59.4758 31.7969 178.5338 193 L 4.3541 7.5071 118.7606 56.0734 41.6060 179.4685 194 K 3.9269 7.7265 119.0663 59.3191 31.8090 178.7912 195 Q 3.8385 7.7127 119.1411 59.3588 29.2141 177.8613 196 E 4.1895 7.8491 113.2936 55.8609 29.7150 176.9606 197 K 3.8525 8.3054 117.6262 57.5280 30.2353 177.3902 198 V 3.8809 8.1797 122.0710 65.1401 32.3400 175.6516 199 I 5.2688 7.6332 110.9188 59.0999 40.9354 174.7573 200 V 4.5927 9.1411 121.9356 61.4331 35.9141 173.2650 201 Y 4.9926 8.5024 125.2133 55.6939 41.1436 174.4151 202 K 4.6529 8.2704 126.9746 56.0235 35.4872 175.8058 203 N 4.2551 9.3996 120.9156 54.1866 35.7699 174.1799 204 S 4.4310 8.1209 110.5075 59.9114 60.1889 170.3193 205 C 4.6886 6.8190 115.2504 57.9418 32.3833 172.8922 206 F 5.0180 8.4704 119.0505 56.4921 41.0316 174.6791 207 Y 5.0296 9.2663 120.4106 56.1557 41.0859 174.9275 208 V 4.3120 8.5006 125.0935 62.8489 32.2936 176.2866 209 Q 4.3384 9.5029 126.9220 56.4224 31.1942 175.4163 210 N 4.8680 7.8923 117.2790 50.3580 39.4925 173.7430 211 L 4.0158 8.2590 124.7973 57.9013 42.2725 177.8305 212 D 4.4851 8.1014 117.0078 57.2453 41.1318 177.6945 213 Y 4.0811 8.3932 120.5505 60.6555 38.6888 177.8796 214 L 4.3328 7.8601 119.1924 57.7919 41.1838 179.6679 215 K 4.1390 8.1370 118.1976 59.3547 31.7200 179.3440 216 R 3.8374 7.4779 117.0655 58.8443 30.0280 177.2573 217 Y 4.3575 7.5421 114.2187 57.9594 39.8129 175.4467 218 A 4.9286 7.6160 122.3837 49.5264 19.6442 175.1272 219 P 4.2982 0.0000 0.0000 65.7197 32.2004 178.8651 220 K 4.0453 8.3115 118.2297 58.7881 31.8541 179.2833 221 L 4.0070 8.8738 119.7477 57.9336 41.6824 178.7683 222 D 4.7191 8.3550 118.0519 57.7451 41.0779 178.0743 223 E 3.9222 8.4518 119.6841 58.8807 29.5083 178.6504 224 W 4.0341 8.1418 128.2918 60.1841 30.5542 177.9727 225 F 3.9563 8.4657 117.2474 60.6819 38.4541 176.4708 226 Y 3.3822 7.5666 117.5267 60.6798 38.4864 178.0938 227 L 3.9944 8.0057 118.1623 56.3126 41.7999 178.1794 228 A 4.1130 7.3427 119.4003 51.2596 19.5418 175.5623 *230 P 4.2194 0.0000 0.0000 63.9215 33.4717 178.8601 231 A 3.9661 8.0162 120.4731 55.3909 18.2827 179.0934 232 T 3.8791 8.0101 112.4538 66.8013 68.9485 175.8070 233 W 4.3604 8.3371 129.3128 60.6174 30.7268 178.0287 234 G 3.7692 8.7994 105.9002 47.6762 0.0000 175.5558 235 K 4.0130 7.7461 119.9274 58.5630 32.0795 177.7287 236 L 4.5785 7.3745 115.0324 54.1676 42.3211 176.2253 237 N 4.2789 7.3782 122.5433 53.2657 38.9605 174.1689 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 N 8.28 4.73 0.00 2.87 2.79 0.00 0.00 6.96 7.27 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 3 A 7.83 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.46 3.80 0.00 1.92 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 5 A 7.84 4.10 1.72 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 0.00 0.00 6 E 8.07 4.01 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 2.69 2.59 0.00 7 E 8.22 3.99 0.00 2.01 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 2.51 2.45 0.00 8 F 8.09 4.11 0.00 2.69 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 9 K 8.22 3.29 0.00 1.94 1.85 0.00 0.67 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 0.95 7.81 10 K 7.86 3.89 0.00 2.11 1.84 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.48 7.81 11 Y 8.17 4.12 0.00 2.78 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 12 L 7.80 3.71 0.00 1.27 1.40 0.14 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.94 4.21 0.00 2.07 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 2.43 2.45 0.00 14 T 8.30 3.95 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 1.18 0.00 0.00 15 N 8.06 4.76 0.00 2.45 2.58 0.00 0.00 7.13 7.47 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 16 G 7.48 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 0.00 0.00 0.00 17 I 7.20 4.46 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 1.07 0.00 0.00 18 K 8.44 4.42 0.00 1.68 1.67 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 19 P 0.00 3.47 0.00 1.71 1.07 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.10 0.00 20 K 8.19 4.42 0.00 1.77 1.20 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.17 1.25 7.81 21 Q 8.29 4.93 0.00 1.77 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 22 F 9.33 5.13 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 9.27 5.41 0.00 3.23 3.44 0.00 5.50 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.57 3.87 0.00 1.95 1.89 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.48 1.55 7.81 25 K 8.99 4.37 0.00 1.93 2.22 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.41 7.81 26 E 8.01 4.26 0.00 2.19 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 2.36 2.14 0.00 27 L 8.24 4.62 0.00 1.51 1.56 0.99 0.83 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 28 I 7.79 3.72 1.47 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.76 0.00 0.00 29 F 7.43 5.25 0.00 3.14 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 30 N 8.90 5.54 0.00 3.27 3.08 0.00 0.00 5.74 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.91 4.22 0.00 1.73 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 32 W 8.40 4.51 0.00 3.69 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.02 4.67 0.00 2.90 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 34 P 0.00 4.47 0.00 2.23 2.18 0.00 3.88 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 2.01 1.98 0.00 35 Q 8.36 4.06 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.00 1.16 0.00 36 E 8.10 4.48 0.00 1.81 1.70 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 2.19 2.25 0.00 37 Y 8.37 5.23 0.00 2.79 2.91 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 38 C 9.61 5.17 0.00 2.99 2.87 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 39 I 9.09 4.91 1.95 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 1.20 0.50 1.06 0.00 0.00 40 F 9.53 5.45 0.00 3.27 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 41 L 8.60 4.29 0.00 1.84 1.60 1.00 0.78 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 42 Y 8.75 3.99 0.00 2.98 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 43 D 8.25 4.50 0.00 2.44 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.68 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.24 1.90 0.00 0.00 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 1.35 1.00 0.93 0.00 0.00 46 T 9.21 5.45 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 1.15 0.00 0.00 47 K 8.67 4.89 0.00 1.37 1.50 0.00 1.09 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.25 7.81 48 L 8.79 5.14 0.00 1.94 1.54 0.94 0.66 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 49 T 8.68 5.63 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 1.13 0.00 0.00 50 S 8.59 4.97 0.00 4.11 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 51 I 7.99 4.92 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.98 0.00 0.00 52 S 8.87 4.39 0.00 4.02 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 53 E 8.77 3.98 0.00 1.94 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 2.32 2.27 0.00 54 N 8.04 4.45 0.00 2.87 2.94 0.00 0.00 6.30 7.00 0.00 0.00 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 G 7.73 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 0.00 0.00 0.00 56 T 8.14 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 1.23 0.00 0.00 57 I 8.03 4.57 1.31 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.74 0.00 0.00 58 M 8.55 4.69 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 59 N 8.81 4.73 0.00 2.91 2.65 0.00 0.00 6.64 6.09 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 60 L 9.14 4.14 0.00 1.53 1.57 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.36 4.45 0.00 1.88 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.00 0.00 0.00 0.00 0.00 0.00 1.39 2.04 0.00 62 Y 8.59 4.81 0.00 2.96 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 63 Y 8.96 4.73 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.88 4.98 0.00 1.94 1.69 0.00 2.02 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.50 7.81 65 G 8.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.46 5.18 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.50 4.82 0.00 3.24 3.03 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 0.00 0.00 0.00 68 V 7.46 5.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 69 I 8.88 4.72 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.22 0.86 0.00 0.00 70 M 8.71 5.22 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 71 S 8.93 4.52 0.00 3.57 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.49 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 73 F 8.85 4.63 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.79 3.60 1.90 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 1.28 0.72 0.98 0.00 0.00 75 D 8.07 4.60 0.00 2.67 2.65 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 76 T 7.76 4.09 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 77 E 8.47 4.05 0.00 2.15 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 2.22 2.24 0.00 78 T 7.14 4.60 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 1.31 0.00 0.00 79 S 8.25 4.44 0.00 3.77 3.68 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 80 V 7.48 3.09 1.68 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 -0.28 0.00 0.00 0.86 0.00 0.00 81 G 6.72 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 0.00 0.00 0.00 82 Y 7.41 4.53 0.00 2.65 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.33 4.96 0.00 2.92 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 84 N 9.30 5.02 0.00 2.47 2.54 0.00 0.00 6.92 6.67 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 85 L 7.67 4.65 0.00 0.27 0.90 0.72 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.83 4.94 0.00 1.96 1.67 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 2.17 2.18 0.00 87 V 8.27 4.37 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 1.07 0.00 0.00 0.80 0.00 0.00 88 I 8.66 4.50 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.93 0.00 0.00 89 S 8.06 4.52 0.00 4.00 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 90 E 8.73 4.08 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 91 Q 7.70 4.98 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 92 A 8.92 4.94 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 93 T 9.07 5.30 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 1.46 0.00 0.00 94 A 9.31 5.32 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 95 Y 9.38 4.54 0.00 3.14 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 96 V 8.55 4.52 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 0.58 0.00 0.00 0.99 0.00 0.00 97 I 8.72 4.68 1.94 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 1.30 1.36 1.09 0.00 0.00 98 K 8.66 4.35 0.00 1.87 1.74 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.52 7.81 99 I 8.38 3.64 1.82 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 1.53 1.53 0.85 0.00 0.00 100 N 8.08 4.48 0.00 2.88 2.91 0.00 0.00 5.93 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 0.00 101 E 8.25 4.48 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 102 L 7.59 3.96 0.00 1.70 1.62 0.92 0.24 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 0.00 103 K 7.98 3.70 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.45 7.81 104 E 8.12 3.91 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 105 L 7.40 4.11 0.00 1.84 1.96 0.92 0.82 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 0.00 106 L 7.77 4.27 0.00 0.96 0.93 0.58 0.61 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 0.00 107 S 7.72 4.30 0.00 4.08 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 0.00 108 K 7.87 4.49 0.00 1.94 2.03 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.67 7.81 109 N 7.72 4.65 0.00 2.62 2.34 0.00 0.00 7.03 6.33 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 0.00 110 L 8.49 4.17 0.00 1.82 1.83 0.97 0.70 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 0.00 111 T 7.84 3.88 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 0.98 0.00 0.00 112 H 7.95 4.29 0.00 3.08 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 7.88 4.20 0.00 2.98 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 0.00 114 F 8.24 4.25 0.00 3.24 3.03 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 0.00 0.00 0.00 115 Y 7.99 4.12 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.60 3.07 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 0.87 0.00 0.00 0.66 0.00 0.00 117 F 8.48 4.08 0.00 3.20 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 0.00 118 Q 8.18 3.97 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 119 T 7.39 3.70 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 0.42 0.00 0.00 120 L 7.52 3.87 0.00 1.78 1.55 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.65 3.90 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 122 K 8.14 4.24 0.00 2.38 2.30 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.75 1.73 7.81 123 Q 8.47 4.03 0.00 2.59 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 124 V 8.29 3.56 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 0.99 0.00 0.00 0.92 0.00 0.00 125 S 8.42 4.19 0.00 4.41 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.26 2.80 0.00 2.38 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.98 3.91 0.00 3.85 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 0.00 128 L 7.63 3.97 0.00 1.63 1.73 0.92 0.73 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 0.00 129 A 7.65 3.92 1.15 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 0.00 0.00 130 K 7.47 3.72 0.00 1.14 1.44 0.00 1.20 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.56 0.82 7.81 131 F 8.19 4.10 0.00 3.12 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 0.00 132 N 8.36 4.07 0.00 2.79 2.93 0.00 0.00 7.32 9.28 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 0.00 133 D 7.90 4.50 0.00 2.84 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 0.00 134 F 8.56 4.22 0.00 2.88 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 0.00 135 S 7.57 4.26 0.00 3.48 3.68 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 0.00 136 I 7.16 4.00 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.90 0.00 0.00 137 N 7.63 5.05 0.00 2.86 2.93 0.00 0.00 7.08 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.08 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.37 4.07 0.00 1.74 1.80 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.43 7.81 140 L 7.76 3.86 0.00 1.61 1.42 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.76 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.38 2.79 0.00 3.56 3.42 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 0.00 143 I 7.10 3.56 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.06 0.83 0.00 0.00 144 C 7.70 4.13 0.00 2.90 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 0.00 145 S 7.85 4.20 0.00 3.75 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 0.00 146 Q 8.23 4.17 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 147 L 8.05 3.98 0.00 1.86 1.67 0.89 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.27 3.98 0.00 1.95 2.01 1.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.11 4.06 2.24 0.00 0.00 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 1.97 0.87 1.17 0.00 0.00 150 L 8.14 4.22 0.00 1.86 1.66 0.58 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.09 3.76 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 0.97 0.00 0.00 152 Y 7.64 3.79 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.45 3.56 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 -0.19 0.00 0.00 1.04 0.00 0.00 154 Y 7.90 4.68 0.00 2.94 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 0.00 155 G 7.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 9.00 4.69 0.00 1.73 1.57 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.37 7.81 157 E 8.91 4.47 0.00 1.88 1.87 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 2.27 2.23 0.00 158 T 9.22 4.72 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 159 P 0.00 4.43 0.00 2.04 2.14 0.00 3.67 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 2.02 2.07 0.00 160 D 7.93 4.54 0.00 2.39 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 0.00 0.00 0.00 161 G 7.84 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 0.00 0.00 0.00 162 I 8.24 4.73 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.16 0.81 0.00 0.00 163 K 8.78 3.66 0.00 1.45 1.49 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 0.64 7.81 164 I 7.87 4.27 1.81 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 1.22 0.57 0.83 0.00 0.00 165 T 8.17 4.29 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 1.21 0.00 0.00 166 L 7.32 4.36 0.00 1.47 1.53 0.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.95 4.55 0.00 2.61 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 0.00 168 N 7.66 5.13 0.00 2.70 2.77 0.00 0.00 6.85 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 0.00 169 L 7.83 4.33 0.00 1.56 1.73 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.84 4.44 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 1.32 0.00 0.00 171 M 8.57 4.18 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.82 0.00 172 Q 7.51 3.66 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.61 2.12 0.00 173 E 7.87 3.97 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 174 L 7.99 4.13 0.00 1.79 1.68 0.66 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 0.00 175 G 7.92 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 0.00 176 Y 7.54 4.66 0.00 3.17 2.91 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 0.00 177 S 8.34 4.68 0.00 4.04 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 0.00 178 S 8.02 4.86 0.00 4.03 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 0.00 179 G 8.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 8.24 4.27 1.89 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 1.25 0.67 0.99 0.00 0.00 181 A 8.74 4.16 1.24 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 0.00 182 H 8.00 4.75 0.00 3.20 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 8.65 4.28 0.00 3.88 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 0.00 184 S 8.20 4.10 0.00 4.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 A 7.62 3.74 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 0.00 186 V 7.08 4.18 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 0.84 0.00 0.00 0.91 0.00 0.00 187 S 8.04 4.71 0.00 3.99 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 7.63 3.84 0.00 1.93 2.20 0.00 2.76 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 189 I 7.62 3.74 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.34 0.83 0.00 0.00 190 I 7.56 3.85 1.89 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 1.70 0.67 0.98 0.00 0.00 191 S 9.17 4.12 0.00 3.69 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 0.00 192 K 8.20 3.90 0.00 2.10 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 193 L 7.51 4.35 0.00 1.89 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 194 K 7.73 3.93 0.00 1.90 1.83 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.66 7.81 195 Q 7.71 3.84 0.00 1.97 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 196 E 7.85 4.19 0.00 1.87 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 197 K 8.31 3.85 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.32 7.81 198 V 8.18 3.88 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 0.95 0.00 0.00 0.32 0.00 0.00 199 I 7.63 5.27 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 0.99 0.00 0.00 200 V 9.14 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 0.72 0.00 0.00 0.92 0.00 0.00 201 Y 8.50 4.99 0.00 2.86 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 0.00 202 K 8.27 4.65 0.00 1.53 1.22 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.00 1.31 7.81 203 N 9.40 4.26 0.00 2.99 2.93 0.00 0.00 7.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 S 8.12 4.43 0.00 4.06 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 0.00 205 C 6.82 4.69 0.00 2.96 2.35 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 0.00 206 F 8.47 5.02 0.00 2.91 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 0.00 207 Y 9.27 5.03 0.00 2.92 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 0.00 208 V 8.50 4.31 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 0.96 0.00 0.00 0.93 0.00 0.00 209 Q 9.50 4.34 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 210 N 7.89 4.87 0.00 2.67 2.67 0.00 0.00 6.86 6.66 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 0.00 211 L 8.26 4.02 0.00 1.72 1.61 0.67 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.10 4.49 0.00 2.85 2.77 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 0.00 213 Y 8.39 4.08 0.00 3.30 3.17 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 0.00 214 L 7.86 4.33 0.00 2.13 1.81 0.94 0.86 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 0.00 215 K 8.14 4.14 0.00 2.05 1.97 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.22 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.78 7.81 216 R 7.48 3.84 0.00 1.81 1.75 0.00 2.71 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 217 Y 7.54 4.36 0.00 2.95 2.91 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 0.00 218 A 7.62 4.93 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 0.00 219 P 0.00 4.30 0.00 2.29 2.32 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 220 K 8.31 4.05 0.00 2.18 1.92 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.56 7.81 221 L 8.87 4.01 0.00 2.02 2.01 0.38 0.99 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 0.00 222 D 8.36 4.72 0.00 3.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 E 8.45 3.92 0.00 2.13 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 2.32 2.26 0.00 224 W 8.14 4.03 0.00 3.52 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 0.00 225 F 8.47 3.96 0.00 3.10 2.89 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 0.00 226 Y 7.57 3.38 0.00 1.70 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 0.00 227 L 8.01 3.99 0.00 1.41 1.54 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 228 A 7.34 4.11 -0.12 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 0.00 0.00 *230 P 0.00 4.22 0.00 2.13 2.09 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 231 A 8.02 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 T 8.01 3.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 233 W 8.34 4.36 0.00 3.40 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 G 8.80 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 0.00 0.00 0.00 235 K 7.75 4.01 0.00 1.76 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.78 1.73 7.81 236 L 7.37 4.58 0.00 1.36 1.44 0.60 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 237 N 7.38 4.28 0.00 1.44 1.54 0.00 0.00 6.73 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.