NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3916 8.3344 115.3004 58.0189 64.5765 173.6185 6 S 3.7642 7.7698 114.4207 57.1804 63.0695 171.4108 7 L 5.2937 9.2787 130.5748 53.4629 44.4094 174.6027 8 F 4.8570 9.5067 126.1069 55.7569 41.3502 174.6747 9 K 5.0250 9.5742 126.6546 55.2903 33.5968 175.2322 10 V 4.9609 9.1727 127.9814 61.0791 34.6073 173.7735 11 I 5.0722 8.4880 127.6247 59.2774 40.5830 173.8123 12 L 5.0576 8.8105 129.5483 53.4121 42.9613 176.0165 13 L 4.4215 9.7145 122.8627 51.9727 45.8980 176.2355 14 G 3.8331 6.5223 110.6013 43.9339 0.0000 172.0356 15 D 4.8831 8.1541 119.8433 53.9048 41.4567 176.7906 16 G 3.7320 8.6626 110.5842 47.5923 0.0000 174.1665 17 G 4.0301 8.9477 111.1654 45.2164 0.0000 174.7852 18 V 3.7113 7.2581 112.6764 62.5477 31.8905 176.8812 19 G 4.2815 8.5150 109.3274 45.7144 0.0000 175.9458 20 K 3.9320 8.5350 121.0474 59.3867 31.9997 178.9528 21 S 4.1333 8.0667 112.7717 61.6392 62.2506 176.2427 22 S 4.1945 8.0633 117.3481 61.4085 62.6307 176.5170 23 L 4.0883 8.4239 122.2548 58.0622 41.4455 179.2112 24 M 4.0024 8.2970 118.1502 58.7666 32.1251 178.0486 25 N 4.3445 8.4879 116.8952 56.0944 38.6815 177.3723 26 R 4.1724 8.3415 121.8607 59.0381 29.9838 177.9988 27 Y 4.1890 7.9247 118.0929 60.8106 38.8720 177.7350 28 V 3.4622 7.6152 117.9739 64.7924 31.8289 177.0222 29 T 4.3283 7.9949 106.6493 60.0134 69.9719 173.3910 30 N 4.3337 8.2063 119.0902 54.7940 37.7950 173.5606 31 K 4.7402 7.8074 113.1949 54.1059 35.9517 175.3148 32 F 4.9787 8.7092 122.9438 56.3101 41.7818 173.7375 33 D 4.4173 7.6157 126.9525 52.0185 40.3396 174.4694 34 T 3.1217 7.6998 113.9908 62.6733 69.6231 171.5275 *39 T 4.0323 7.5991 114.8828 61.0732 69.0159 173.9871 40 I 4.2508 8.2674 120.1779 60.9174 39.0049 174.9559 41 G 4.6795 7.1080 109.8099 43.8587 0.0000 172.5340 42 V 4.1122 8.2304 119.5506 63.0710 32.3267 176.4647 43 E 4.7031 9.1379 127.4293 54.4251 33.3296 173.9142 44 F 5.2055 7.6510 119.0942 55.0894 41.1712 173.5258 45 L 4.8241 8.7876 119.6790 53.0918 45.6250 175.1243 46 N 5.6102 8.5894 117.6044 51.7075 41.8355 174.1896 47 K 4.4681 8.8740 122.4591 55.1369 36.0519 174.7302 48 D 5.1827 8.6778 127.6885 54.1905 42.0816 175.5809 49 L 4.7564 8.9174 122.2593 54.9367 44.2567 174.0121 50 E 5.3379 8.6270 117.4608 55.1034 33.5467 174.8863 51 V 4.4503 8.6416 124.9093 62.4060 34.2582 175.0645 52 D 4.5030 10.0424 126.5606 55.3952 38.3668 174.7808 53 G 3.9855 8.6103 105.3206 43.5386 0.0000 173.5984 54 H 4.6740 8.1545 117.8268 53.6053 30.5783 173.9945 55 F 5.0355 8.2813 122.9982 57.9001 39.3691 175.1001 56 V 4.9846 9.0570 115.7486 60.1920 36.7367 174.3116 57 T 5.1327 9.3342 118.4480 62.1399 72.3448 172.6850 58 M 5.1914 9.3117 125.7372 53.9750 34.8585 174.1956 59 Q 5.0811 9.4473 127.5070 54.6342 31.8600 173.9316 60 I 5.0795 9.0936 128.7418 59.7990 39.2285 174.7484 61 W 5.1517 9.6242 127.9516 55.0050 31.8420 174.7700 62 D 5.1873 9.3743 125.0372 52.9165 42.2275 175.9165 63 T 4.5521 8.7012 114.8327 61.4641 69.5234 175.8718 64 A 4.1705 8.0890 125.2262 55.4395 18.9252 179.8868 65 G 4.2550 7.9413 103.6519 45.8912 0.0000 172.3239 66 Q 4.2531 8.5904 119.4405 55.3737 29.2856 176.2755 67 E 4.0031 9.1574 125.2681 59.2705 29.7216 178.8910 68 R 3.9392 7.8739 113.2043 57.9498 29.8361 176.8714 69 F 5.0135 8.0519 117.9053 57.1514 39.4856 177.6100 70 R 3.9884 8.0750 121.6852 59.4229 29.0197 178.9520 71 S 4.0981 8.0442 111.5228 60.2965 63.1243 174.7281 72 L 4.4201 8.0434 120.0730 55.4692 42.1873 178.0345 73 R 4.6102 7.9616 116.5255 58.4740 30.0517 178.6598 74 T 2.7144 7.5429 109.8185 63.5817 68.2530 174.3672 75 P 3.9972 0.0000 0.0000 64.9581 31.0100 177.3932 76 F 4.2787 7.6706 114.2678 58.3498 39.3084 176.8193 77 Y 4.4289 8.1488 118.2023 60.0468 37.8229 176.5421 78 R 3.9388 6.8670 116.8684 57.7983 30.5624 177.2116 79 G 3.9522 8.7724 109.9353 45.2362 0.0000 174.0376 80 S 4.3096 7.5033 115.7151 59.0842 63.3139 173.9185 81 D 4.8301 9.1011 124.1393 56.0374 41.9607 176.3936 82 C 4.4052 7.8963 116.8731 57.8275 35.6036 172.0573 83 C 4.9211 8.3229 124.5691 57.4743 34.0701 172.6080 84 L 4.8180 8.8035 127.2832 53.3941 42.5253 175.5336 85 L 4.7579 8.6811 125.7456 54.2290 42.8885 176.2978 86 T 5.2162 8.8916 121.4386 61.6582 71.7925 173.3409 87 F 5.0718 9.0093 119.8760 55.2802 42.4489 172.9885 88 S 5.0727 8.9298 113.3274 56.4662 64.1779 175.4625 89 V 3.8828 8.8323 120.4466 63.6068 31.5319 177.1069 90 D 4.7141 8.0286 118.1038 53.1482 39.5401 176.7496 91 D 4.7676 8.2614 119.9170 51.6513 42.3824 175.1376 92 S 4.1695 9.5057 121.5928 61.3861 62.5180 175.5184 93 Q 3.9896 8.2276 121.7226 59.2830 28.6296 178.2634 94 S 4.8840 8.4602 115.6552 60.9431 63.2313 176.0738 95 F 3.8076 8.1110 124.3937 61.1074 38.8887 177.2283 96 Q 3.6851 8.0457 116.6008 58.6608 28.7876 177.8157 97 N 4.5654 8.0757 115.4939 53.8732 38.6033 176.9335 98 L 4.0754 7.4785 122.4150 57.8911 41.6115 179.3544 99 S 4.3653 7.8614 114.5156 61.9836 62.8048 176.4928 100 N 4.4257 8.0928 118.4372 55.8166 38.2264 177.4327 101 W 4.3468 8.2782 120.7344 59.6275 29.1003 178.3464 102 K 4.1328 8.5501 119.7238 59.5500 31.5636 179.0119 103 K 4.0727 8.3391 118.7913 59.3519 31.9633 178.9181 104 E 4.1959 8.6345 119.7486 59.3381 29.5810 178.4765 105 F 4.4073 8.8507 120.8007 61.7213 39.2775 177.1558 106 I 3.5250 8.0409 117.9233 64.3529 36.9563 177.6038 107 Y 4.0329 8.0635 119.5202 60.8983 38.7623 177.2381 108 Y 4.0324 7.9886 115.2652 58.5695 38.4011 175.8203 109 A 4.2679 7.2666 122.4793 51.4828 19.8101 177.3201 110 D 4.0752 7.7962 119.4381 53.6158 41.8268 175.4683 *115 E 4.3966 7.8725 122.0683 54.3094 31.7892 176.4244 116 S 4.7645 8.8085 116.3353 56.6180 64.6589 174.7163 117 F 4.0621 8.5765 124.1755 57.9912 39.8488 172.2053 118 P 4.5450 0.0000 0.0000 62.4218 32.4881 174.8909 119 F 5.1133 8.5246 121.9827 55.4193 42.0812 174.7846 120 V 4.7503 8.5046 121.1562 61.2424 34.8604 174.0920 121 I 5.2538 9.0740 128.0845 59.6548 39.9323 174.3493 122 L 4.9936 9.2387 127.2306 52.9536 44.5188 175.8376 123 G 3.1832 8.7939 112.5078 44.4084 0.0000 172.3838 124 N 5.0936 8.4690 126.4414 51.6818 41.5263 174.3263 125 K 4.1307 8.4434 117.9176 57.6282 28.5998 178.1960 126 I 3.9823 7.5692 112.4305 62.3526 37.8808 176.5992 127 D 4.4281 7.8519 120.3098 55.4756 39.5610 176.7208 128 I 4.0586 7.3493 121.1364 61.1474 37.8138 176.1915 129 S 4.2250 8.5546 119.4461 60.6638 63.1856 174.3025 130 E 4.3299 7.9762 119.7946 55.2191 28.4852 175.4480 131 R 4.7038 8.2016 122.6580 54.9012 31.8133 176.9059 132 Q 4.4771 8.8951 119.2211 55.6300 30.0634 175.9521 133 V 4.2770 7.4768 117.6134 60.1527 33.9298 175.6980 134 S 4.4606 8.4628 122.2351 58.0618 65.1732 175.3227 135 T 4.2054 8.2694 120.7991 66.4048 68.1777 176.6779 136 E 4.2391 8.0396 121.2425 58.9716 29.5543 179.1081 137 E 3.9579 8.3391 118.3691 59.2965 29.5138 179.3444 138 A 3.9573 7.8225 120.7592 55.2214 18.0775 179.6675 139 Q 3.8244 8.2872 116.7460 58.9665 28.7574 178.9735 140 A 3.9976 8.2683 121.9507 54.8666 18.4428 179.4563 141 W 3.9364 8.3487 126.8633 60.8556 30.7894 178.0321 142 C 4.1837 8.4337 116.6650 62.9194 27.3626 176.2881 143 R 3.8437 8.0439 118.9299 58.9201 29.7463 178.0493 144 D 4.5456 7.6437 115.9678 54.4368 41.3933 176.4050 145 N 4.5421 7.4146 116.9941 52.5933 39.2406 174.2045 146 G 2.7104 9.3055 106.0189 44.1051 0.0000 173.8139 147 D 4.2367 7.2869 119.0486 55.3229 40.0482 173.0471 148 Y 4.7596 7.2724 113.9597 56.9840 39.4034 175.1263 149 P 4.4580 0.0000 0.0000 63.1252 32.8088 174.5945 150 Y 5.3891 8.2555 123.7725 55.8737 41.5816 174.4194 151 F 4.4362 8.6393 124.4484 55.4727 42.4916 173.9294 152 E 4.6165 8.3980 123.4268 55.6492 30.3514 175.4098 153 T 4.7855 8.7366 115.4232 59.8085 72.6785 173.4276 154 S 4.6134 8.6313 116.4139 56.5890 64.7045 174.6422 155 A 3.9831 8.5237 131.1395 54.8868 18.5714 178.5347 156 K 2.4800 7.6575 116.5142 58.3235 32.1730 177.0226 157 D 4.5940 7.8346 114.3079 52.5174 40.0451 176.6183 158 A 3.8122 8.3884 123.0133 52.1642 17.5917 178.0758 159 T 3.9520 7.9517 113.7859 65.2388 68.9052 174.0494 160 N 4.0404 9.0627 121.3114 54.1125 36.8414 176.3581 161 V 3.4171 7.8854 119.1819 66.1614 31.6069 178.1018 162 A 3.9559 8.0160 119.8448 54.9933 18.3098 179.1515 163 A 3.9542 7.8857 118.6616 55.1659 18.5453 179.5991 164 A 2.5800 7.1712 119.0423 54.8290 18.2180 179.9775 165 F 3.7943 7.2469 116.2709 60.4993 38.8198 177.8741 166 E 3.9448 8.4519 118.7830 59.2454 29.1546 178.9776 167 E 3.9406 8.1631 119.2863 58.9725 29.7718 178.6811 168 A 3.9087 7.5994 120.6194 55.1902 18.4395 179.8325 169 V 3.2697 7.4472 116.8119 65.8415 31.4547 178.1106 170 R 3.8360 7.8331 118.5097 59.6439 29.9382 178.7848 171 R 3.9261 8.4081 118.1633 58.9503 29.7377 179.2663 172 V 3.5304 7.4554 117.2666 66.0221 31.6740 177.7382 173 L 4.1873 7.8060 117.2795 57.8652 41.5221 179.1595 174 A 4.1482 8.0414 119.8843 54.6388 18.3895 178.0507 175 T 4.2611 7.6822 118.1070 63.8442 68.8746 174.6152 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 5 S 8.33 4.39 0.00 3.92 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 6 S 7.77 3.76 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.28 5.29 0.00 1.79 1.53 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.51 4.86 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.57 5.03 0.00 1.88 1.87 0.00 1.36 0.00 0.00 1.46 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 10 V 9.17 4.96 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.05 0.00 0.00 11 I 8.49 5.07 1.89 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 1.14 1.76 0.67 0.00 0.00 12 L 8.81 5.06 0.00 1.59 1.55 1.08 1.11 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 13 L 9.71 4.42 0.00 1.28 0.81 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 14 G 6.52 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.15 4.88 0.00 2.97 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 16 G 8.66 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.95 4.03 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 0.00 0.00 0.00 18 V 7.26 3.71 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 0.80 0.00 0.00 0.96 0.00 0.00 19 G 8.51 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 20 K 8.54 3.93 0.00 1.82 1.88 0.00 1.55 0.00 0.00 1.52 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 21 S 8.07 4.13 0.00 3.89 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 22 S 8.06 4.19 0.00 4.19 4.20 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 23 L 8.42 4.09 0.00 1.94 1.92 0.91 0.74 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 24 M 8.30 4.00 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 25 N 8.49 4.34 0.00 2.86 2.83 0.00 0.00 6.67 7.96 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 26 R 8.34 4.17 0.00 2.12 2.20 0.00 3.48 0.00 0.00 3.64 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 27 Y 7.92 4.19 0.00 2.78 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 28 V 7.62 3.46 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 0.82 0.00 0.00 0.76 0.00 0.00 29 T 7.99 4.33 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 30 N 8.21 4.33 0.00 2.81 2.87 0.00 0.00 6.92 6.16 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 31 K 7.81 4.74 0.00 1.79 1.63 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.55 7.81 32 F 8.71 4.98 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.62 4.42 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.70 3.12 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 1.16 0.00 0.00 *39 T 7.60 4.03 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 1.25 0.00 0.00 40 I 8.27 4.25 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.92 0.00 0.00 41 G 7.11 4.68 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 0.00 0.00 0.00 42 V 8.23 4.11 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 1.00 0.00 0.00 1.09 0.00 0.00 43 E 9.14 4.70 0.00 1.95 1.63 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 1.97 2.00 0.00 44 F 7.65 5.21 0.00 2.30 1.46 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 45 L 8.79 4.82 0.00 1.51 1.46 0.89 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.59 5.61 0.00 2.56 2.72 0.00 0.00 6.65 7.61 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 47 K 8.87 4.47 0.00 1.53 1.51 0.00 0.97 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.09 1.17 7.81 48 D 8.68 5.18 0.00 2.52 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 49 L 8.92 4.76 0.00 1.67 1.78 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.63 5.34 0.00 2.16 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 2.38 2.60 0.00 51 V 8.64 4.45 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 1.00 0.00 0.00 0.84 0.00 0.00 52 D 10.04 4.50 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.61 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.15 4.67 0.00 3.34 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.28 5.04 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.06 4.98 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 57 T 9.33 5.13 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 1.33 0.00 0.00 58 M 9.31 5.19 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 59 Q 9.45 5.08 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 60 I 9.09 5.08 1.91 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 1.09 0.00 0.00 61 W 9.62 5.15 0.00 3.29 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 9.37 5.19 0.00 2.74 2.60 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 63 T 8.70 4.55 4.67 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 1.68 0.00 0.00 64 A 8.09 4.17 1.46 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 0.00 0.00 65 G 7.94 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 0.00 0.00 0.00 66 Q 8.59 4.25 0.00 2.47 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.70 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 67 E 9.16 4.00 0.00 2.09 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 2.39 2.36 0.00 68 R 7.87 3.94 0.00 1.55 1.82 0.00 2.83 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 69 F 8.05 5.01 0.00 3.35 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 70 R 8.07 3.99 0.00 2.01 2.33 0.00 2.76 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 71 S 8.04 4.10 0.00 4.00 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 72 L 8.04 4.42 0.00 1.91 1.86 0.95 1.24 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 73 R 7.96 4.61 0.00 2.35 2.32 0.00 3.29 0.00 0.00 3.47 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 74 T 7.54 2.71 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 0.30 0.00 0.00 75 P 0.00 4.00 0.00 1.45 1.79 0.00 3.54 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 76 F 7.67 4.28 0.00 3.32 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 77 Y 8.15 4.43 0.00 3.00 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 78 R 6.87 3.94 0.00 1.84 1.77 0.00 3.05 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 79 G 8.77 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.50 4.31 0.00 4.25 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 81 D 9.10 4.83 0.00 2.75 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 82 C 7.90 4.41 0.00 2.79 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 83 C 8.32 4.92 0.00 1.90 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 0.00 0.00 0.00 84 L 8.80 4.82 0.00 1.53 1.45 0.79 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.68 4.76 0.00 1.74 1.66 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.89 5.22 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 1.13 0.00 0.00 87 F 9.01 5.07 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.93 5.07 0.00 3.92 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 89 V 8.83 3.88 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 0.63 0.00 0.00 0.91 0.00 0.00 90 D 8.03 4.71 0.00 2.86 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 91 D 8.26 4.77 0.00 2.74 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 92 S 9.51 4.17 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 93 Q 8.23 3.99 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 94 S 8.46 4.88 0.00 4.25 4.30 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 95 F 8.11 3.81 0.00 2.58 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 96 Q 8.05 3.69 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 97 N 8.08 4.57 0.00 3.07 2.89 0.00 0.00 6.91 6.76 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 98 L 7.48 4.08 0.00 0.56 1.14 -0.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.86 4.37 0.00 3.91 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 0.00 100 N 8.09 4.43 0.00 2.57 2.69 0.00 0.00 7.11 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 0.00 101 W 8.28 4.35 0.00 3.63 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 110 D 7.80 4.08 0.00 2.49 2.47 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 *115 E 7.87 4.40 0.00 2.19 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 2.27 2.54 0.00 116 S 8.81 4.76 0.00 3.98 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 0.00 117 F 8.58 4.06 0.00 3.22 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 0.00 118 P 0.00 4.55 0.00 1.87 2.00 0.00 2.20 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 119 F 8.52 5.11 0.00 1.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.50 4.75 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 1.19 0.00 0.00 0.96 0.00 0.00 121 I 9.07 5.25 2.40 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.38 1.38 0.00 0.00 122 L 9.24 4.99 0.00 1.45 1.41 0.60 0.69 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 0.00 123 G 8.79 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 0.00 0.00 0.00 124 N 8.47 5.09 0.00 2.69 2.70 0.00 0.00 7.13 6.85 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 0.00 125 K 8.44 4.13 0.00 2.01 1.93 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.38 7.81 126 I 7.57 3.98 1.83 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 1.40 0.47 0.85 0.00 0.00 127 D 7.85 4.43 0.00 2.74 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.35 4.06 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.94 0.00 0.00 129 S 8.55 4.23 0.00 3.86 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 0.00 130 E 7.98 4.33 0.00 1.96 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 2.28 2.27 0.00 131 R 8.20 4.70 0.00 1.79 1.85 0.00 3.17 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 132 Q 8.90 4.48 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 133 V 7.48 4.28 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 -0.16 0.00 0.00 0.75 0.00 0.00 134 S 8.46 4.46 0.00 4.23 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 0.00 135 T 8.27 4.21 4.29 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 1.37 0.00 0.00 136 E 8.04 4.24 0.00 2.05 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 2.41 2.34 0.00 137 E 8.34 3.96 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 2.35 2.31 0.00 138 A 7.82 3.96 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 0.00 139 Q 8.29 3.82 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 140 A 8.27 4.00 1.39 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 0.00 0.00 0.00 141 W 8.35 3.94 0.00 3.54 3.44 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 0.00 142 C 8.43 4.18 0.00 3.23 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.04 3.84 0.00 1.85 1.91 0.00 3.12 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 144 D 7.64 4.55 0.00 2.50 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 0.00 145 N 7.41 4.54 0.00 1.44 1.83 0.00 0.00 7.05 8.39 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 0.00 146 G 9.31 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 0.00 0.00 0.00 147 D 7.29 4.24 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.27 4.76 0.00 3.08 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.46 0.00 2.28 2.01 0.00 3.99 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 150 Y 8.26 5.39 0.00 2.95 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 0.00 151 F 8.64 4.44 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.40 4.62 0.00 1.79 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 2.06 2.10 0.00 153 T 8.74 4.79 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 1.09 0.00 0.00 154 S 8.63 4.61 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.52 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.66 2.48 0.00 0.79 1.41 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.11 0.76 7.81 157 D 7.83 4.59 0.00 2.72 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 0.00 158 A 8.39 3.81 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 0.00 159 T 7.95 3.95 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 160 N 9.06 4.04 0.00 3.01 2.89 0.00 0.00 6.76 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 0.00 161 V 7.89 3.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.02 0.00 0.00 162 A 8.02 3.96 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 0.00 163 A 7.89 3.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 7.17 2.58 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 7.25 3.79 0.00 1.92 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.94 0.00 1.90 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 2.37 2.43 0.00 167 E 8.16 3.94 0.00 2.24 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 2.66 2.48 0.00 168 A 7.60 3.91 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 0.00 169 V 7.45 3.27 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 0.14 0.00 0.00 0.74 0.00 0.00 170 R 7.83 3.84 0.00 1.95 2.07 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 171 R 8.41 3.93 0.00 1.93 1.92 0.00 3.40 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 172 V 7.46 3.53 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.07 0.00 0.00 173 L 7.81 4.19 0.00 1.88 1.75 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 174 A 8.04 4.15 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 0.00 175 T 7.68 4.26 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.