NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.1487 7.9133 120.3999 63.0697 33.5824 177.6344 5 D 4.2568 7.9971 119.4356 56.6394 40.6997 177.0423 6 A 4.0271 7.8647 121.4675 55.2152 18.7402 179.3397 7 T 3.8762 7.7863 107.9543 65.3401 67.5393 176.6750 8 M 4.1998 8.4012 121.5342 57.5459 31.8905 178.1228 9 E 4.3527 8.4436 120.0044 58.6942 29.9126 178.5755 10 K 3.9967 8.2385 118.6254 58.9473 31.9058 179.1031 11 L 3.9256 7.7047 121.0750 58.1405 41.9821 179.2882 12 R 3.8221 7.4999 117.3173 59.3244 29.8644 178.5678 13 A 3.8428 7.8136 119.1324 55.7602 18.2945 179.4316 14 Q 4.0575 7.9940 116.0758 59.1505 28.7662 178.5262 15 C 4.0184 8.2927 118.2106 62.5037 27.8772 175.7979 16 L 3.9423 8.4603 121.8673 57.4279 42.9658 178.2090 17 S 4.4255 7.2269 115.7549 57.2409 60.2981 171.7739 18 R 4.2861 8.1429 118.2344 56.2630 27.6918 177.2962 19 G 3.5871 8.2441 109.2844 44.7679 0.0000 173.8766 *22 G 3.9867 8.5296 115.7976 45.4905 0.0000 172.4630 23 I 4.6430 7.3380 109.1487 60.0565 41.0789 177.0015 24 Q 4.2649 8.2272 119.7759 58.8647 28.5746 178.3347 25 G 3.7484 8.0867 107.3232 47.3323 0.0000 175.6232 26 L 4.3670 7.6336 119.9291 57.8828 41.6430 179.3455 27 A 4.0303 8.1256 120.2810 55.1076 17.8319 179.5412 28 R 3.9346 7.7018 116.5933 59.5266 30.2080 178.5256 29 F 4.5398 8.5693 120.6258 60.9069 39.4058 176.8567 30 F 3.0913 8.8255 121.1998 61.1392 38.8925 177.4118 31 R 3.8272 7.8568 113.5025 58.7673 29.4236 178.2043 32 Q 4.1126 7.3627 116.9819 58.2436 28.8461 177.8226 33 L 4.0752 7.2401 119.7211 56.5428 43.0723 177.9658 34 D 4.5161 7.3237 119.4271 52.5738 38.4046 176.3130 35 R 3.8353 7.9557 122.7589 58.8695 30.4901 177.8761 36 D 4.3833 8.2327 113.9433 53.4694 39.8003 177.0803 37 G 3.8550 7.9319 108.0031 46.3340 0.0000 174.8484 38 S 4.1459 8.2644 113.1641 58.8453 62.9168 175.1555 39 R 4.1317 9.4750 119.8045 56.6434 27.8326 175.5121 40 S 5.0402 7.5471 109.7112 57.2174 66.6150 173.1350 41 L 4.8646 9.2867 121.9665 53.1380 43.7516 176.1536 42 D 4.9776 8.1270 123.6418 52.0619 41.6314 177.4157 43 A 4.0997 8.7100 120.8608 55.4463 18.2063 179.4492 44 D 4.2411 8.0544 116.0294 57.6554 41.4106 177.8732 45 E 3.9367 8.9469 119.4345 59.6536 29.3661 179.3994 46 F 4.2926 8.5107 120.5692 61.1689 39.4514 177.2971 47 R 3.7252 7.9430 118.1685 59.6061 29.9119 178.5889 48 Q 4.1180 8.1309 117.9356 58.7283 28.3749 179.0746 49 G 3.5815 7.6122 106.1824 47.6612 0.0000 175.6008 50 L 4.1101 7.6200 121.0998 57.2488 41.5848 179.1227 51 A 4.1520 7.9357 122.1907 54.5502 18.0872 179.6746 52 K 4.1256 7.7950 114.9261 58.2977 31.9069 177.8069 53 L 4.4956 8.0363 118.7334 54.1040 42.0675 178.0042 54 G 3.8780 8.1348 106.8847 45.3816 0.0000 173.6951 55 L 4.3991 7.2760 120.6650 53.2284 42.6671 175.7824 56 V 4.4250 8.3108 123.0286 60.7770 33.5889 174.3884 57 L 4.9304 8.1573 126.2494 53.0933 43.6100 176.1527 58 D 4.7056 9.3207 121.0108 52.3294 41.9422 177.1854 59 Q 3.9484 8.6894 120.1135 59.7678 28.6946 178.7893 60 A 4.0478 8.0373 120.7831 55.1466 18.3608 179.3553 61 E 3.9502 8.6815 117.0720 59.4331 29.4620 179.1192 62 A 4.2067 8.2537 120.9620 55.5240 18.5011 179.2174 63 E 4.0193 8.7472 117.1745 59.7781 29.5599 180.2260 64 G 3.6128 7.9096 105.2593 47.7853 0.0000 175.9944 65 V 3.7257 8.1035 121.1164 65.9953 31.6224 177.8239 66 C 4.1230 8.4337 116.8033 62.8142 27.6824 176.1810 67 R 3.8710 8.1257 119.9189 59.2141 29.7626 178.1606 68 K 3.8271 7.7857 118.2942 58.9306 32.2921 178.0984 69 W 4.8638 7.6072 116.0864 56.4459 30.0402 176.3307 70 D 4.5606 8.0368 118.2139 54.4309 39.0345 175.8217 71 R 4.2122 8.5531 125.7373 57.3624 30.5210 177.5221 72 N 4.9130 8.0604 113.9632 51.5319 37.6320 174.5247 73 G 4.0265 8.1755 104.9852 47.2103 0.0000 174.5580 74 S 4.3332 8.2018 110.5337 57.5419 63.8154 175.2305 75 G 3.9692 9.0680 109.7181 46.1857 0.0000 173.3033 76 T 4.8697 7.7305 108.1216 59.9081 72.5203 173.3791 77 L 4.9468 9.0172 123.5978 53.5418 43.4319 176.5425 78 D 4.9183 9.0199 124.9022 52.0945 41.7794 177.3059 79 L 2.5907 8.2862 118.8667 57.7647 41.7947 178.3229 80 E 3.8390 7.9114 118.6382 59.4137 29.7553 178.4662 81 E 4.0348 8.6971 118.8293 59.4015 29.4999 179.1910 82 F 4.0132 8.5042 120.9682 61.2209 39.0499 177.2483 83 L 3.8629 8.0524 118.6889 57.7672 41.1683 179.6918 84 R 3.8756 7.8490 116.8550 58.6929 30.0133 178.6010 85 A 2.0000 7.0673 120.2527 53.5920 18.2963 178.7136 86 L 4.1407 6.6442 113.7953 53.3799 42.2616 177.0760 87 R 3.7706 6.7638 120.5599 55.2963 30.3170 174.2056 88 P 4.1716 0.0000 0.0000 62.5077 31.3298 174.3916 89 P 4.3822 0.0000 0.0000 62.5385 31.9136 176.0684 90 M 4.2308 8.2914 118.6025 54.4934 32.4036 176.9517 91 S 4.2697 8.4415 115.9292 58.8181 64.8328 175.5470 92 Q 4.0020 8.6155 121.1375 59.4800 28.4618 178.5979 93 A 3.9584 7.9597 122.2157 55.0874 18.2938 179.6952 94 R 4.1411 7.6832 115.5853 59.2343 29.9900 178.9311 95 E 3.9832 8.1133 118.8807 58.9876 29.6554 178.6351 96 A 4.0166 8.6793 121.3660 55.2962 18.4537 180.0036 97 V 3.6110 7.8045 110.6453 64.5516 31.5338 178.6439 98 I 3.7513 7.6660 119.1723 64.5014 37.0380 177.8728 99 A 4.0200 8.4100 121.5340 55.4728 18.1680 179.4646 100 A 3.9021 8.5503 118.8929 55.4474 18.5148 179.7533 101 A 3.8289 8.3494 119.2112 54.4792 18.3424 179.7457 102 F 3.2352 8.2553 119.9579 60.9649 39.2099 177.0069 103 A 3.7861 7.6246 119.2564 55.1023 18.2108 179.3711 104 K 3.9182 7.3167 114.9650 59.6774 32.2666 179.0455 105 L 3.9516 7.0251 118.8856 57.3827 43.3187 177.7251 106 D 4.3350 8.1169 119.9788 55.0387 37.5553 177.1998 107 R 3.6386 7.0543 122.4572 59.5364 31.0862 178.5736 108 S 4.0294 8.5595 112.5656 59.3602 62.4664 174.7416 109 G 3.8971 8.1566 107.7542 46.4476 0.0000 174.2360 110 D 4.4404 7.4816 119.9317 53.1847 39.9601 176.4675 111 G 3.9941 7.5617 107.4159 45.4120 0.0000 174.0790 112 V 4.9081 7.9199 112.1141 59.6037 35.9827 175.0464 113 V 4.4642 8.5440 122.9696 61.7031 33.4122 174.9295 114 T 5.0075 9.0405 117.2232 59.4400 72.3195 174.8382 115 V 3.7060 8.6714 120.3521 66.3457 31.5882 177.7162 116 D 4.4458 8.1548 118.9384 57.3129 40.9239 178.2251 117 D 4.3599 7.9851 118.3690 56.9159 41.1041 177.3300 118 L 4.4126 7.7070 117.7089 55.5479 42.1895 176.9917 119 R 4.1330 7.3822 119.4352 57.2871 30.2710 177.3663 120 G 3.9413 8.9374 110.4931 45.4772 0.0000 173.9039 121 V 3.9117 7.4455 117.3234 63.2900 33.2567 174.9466 122 Y 4.8558 7.3015 114.5553 56.4570 41.5688 173.9742 123 S 4.4184 8.2427 115.1360 58.0255 65.5225 174.9867 *133 G 3.9544 8.5572 108.4554 44.8817 0.0000 172.8512 134 E 4.5103 8.0024 118.2699 54.4076 31.6353 171.6283 135 W 3.5581 8.5188 128.8022 56.4606 29.1672 173.9607 136 T 4.6451 8.8500 113.1607 61.2291 72.3969 174.9982 137 E 3.5081 9.3270 120.5058 57.2712 31.3632 177.0359 138 D 4.5944 9.1569 125.2032 54.7647 41.0476 178.4759 139 E 4.0828 8.7422 121.9227 59.4436 29.6143 178.8174 140 V 3.7374 7.9762 117.6235 66.1451 31.7779 177.5594 141 L 4.0901 7.8129 118.2805 58.0030 41.4002 179.5523 142 R 3.9889 9.2582 119.3312 59.6315 29.8553 178.5331 143 R 3.9693 8.0642 117.1061 59.2421 30.3060 178.1192 144 F 4.1210 8.2378 120.4495 61.1615 39.0713 176.5216 145 L 4.1537 8.2109 120.0524 58.7495 41.8035 178.5767 146 D 4.4093 8.3985 118.5796 57.4522 40.5334 178.1335 147 N 4.0019 7.5046 116.1992 56.7680 38.8653 175.8551 148 F 3.9881 7.0439 115.3037 58.7384 39.4671 175.5621 149 D 4.6846 7.7129 120.0909 53.1238 41.6930 175.3103 150 S 4.4174 7.8772 119.2297 58.2598 63.2851 175.1407 151 S 4.1968 8.6688 115.5617 60.8838 62.6044 174.3399 152 E 4.3947 7.7706 119.2459 53.7562 28.3831 174.4279 153 K 4.2573 8.3806 125.6257 57.5473 32.6043 176.6552 154 D 4.8189 8.7773 122.0820 52.6147 39.9838 175.8588 155 G 3.9639 8.8984 105.5531 46.5639 0.0000 173.5193 156 Q 4.7419 7.9967 118.8610 54.3053 32.5475 173.6997 157 V 4.7056 8.8415 126.3144 61.3404 34.1169 175.3113 158 T 4.5686 9.1151 119.3016 60.9168 70.4746 175.8431 159 L 2.6782 8.1652 121.9606 57.8010 42.0260 178.3415 160 A 3.9816 7.8164 120.2313 55.1731 18.2758 179.4238 161 E 3.9423 8.0623 116.7987 59.6127 29.4488 178.9709 162 F 4.2899 8.3197 119.6019 61.7440 39.5165 176.6527 163 Q 4.2794 8.6914 119.3302 59.3347 28.7487 177.9771 164 D 4.4020 8.1623 119.9698 57.4662 40.6651 177.8952 165 Y 3.9606 7.7856 118.9771 59.9967 38.8654 176.8559 166 Y 4.7292 7.6463 115.4931 57.4584 39.0811 177.3984 167 S 4.2344 8.4507 117.6384 61.9062 62.9798 176.1041 168 G 3.6034 8.1142 108.7101 47.7827 0.0000 175.6314 169 V 3.7325 7.7189 114.0369 63.5949 31.5887 178.6486 170 S 4.0247 8.3234 111.9266 61.4362 62.2930 175.6900 171 A 4.1052 7.8718 122.2505 55.0688 18.0898 179.5999 172 S 4.3270 7.7116 111.7314 60.8244 63.3958 175.0024 173 M 4.2071 7.9834 123.8958 54.7038 31.7524 176.5594 174 N 4.5339 8.8947 122.4111 55.2109 39.5016 175.9682 175 T 4.7176 7.6715 108.0922 59.2302 72.7159 174.4474 176 D 4.4920 8.8238 123.1908 57.8585 40.8810 179.2339 177 E 3.9085 8.1630 117.5021 59.2688 29.9371 178.7758 178 E 3.9786 7.9226 118.4056 59.2062 29.5861 179.1829 179 F 4.0936 8.1843 120.0566 61.2109 39.4444 177.2853 180 V 3.5857 8.6427 118.2880 66.0645 31.4731 177.7021 181 A 3.9694 8.4803 120.8191 55.3486 18.0940 179.2562 182 M 3.8918 7.8457 116.0396 59.0600 32.4025 178.1716 183 M 3.9838 7.6858 118.6423 58.7836 32.2365 178.6640 184 T 3.9506 8.0652 116.1355 66.9175 68.5460 176.6917 185 S 4.1205 8.0036 115.0796 61.2599 62.9873 175.9671 186 A 3.8719 8.0161 123.9372 54.3401 18.1867 178.8605 187 W 4.6824 7.9861 113.0442 55.2947 30.9970 176.4747 188 Q 3.3648 7.5176 117.0079 56.9962 26.0971 174.0305 189 L 4.2771 8.1155 119.8281 55.0086 41.7082 177.4833 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 4 V 7.91 4.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.97 0.00 0.00 5 D 8.00 4.26 0.00 2.88 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 6 A 7.86 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.79 3.88 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 1.24 0.00 0.00 8 M 8.40 4.20 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.89 0.00 9 E 8.44 4.35 0.00 2.18 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 2.30 2.39 0.00 10 K 8.24 4.00 0.00 2.02 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.60 7.81 11 L 7.70 3.93 0.00 1.86 1.70 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.50 3.82 0.00 2.14 1.92 0.00 3.31 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 13 A 7.81 3.84 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.99 4.06 0.00 2.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 15 C 8.29 4.02 0.00 3.07 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 16 L 8.46 3.94 0.00 1.84 1.72 0.90 0.93 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 17 S 7.23 4.43 0.00 3.90 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 18 R 8.14 4.29 0.00 1.95 2.48 0.00 3.01 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 19 G 8.24 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 *22 G 8.53 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 23 I 7.34 4.64 1.85 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 1.46 0.72 0.89 0.00 0.00 24 Q 8.23 4.26 0.00 2.32 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 25 G 8.09 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 26 L 7.63 4.37 0.00 2.06 2.01 0.87 0.87 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 27 A 8.13 4.03 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 28 R 7.70 3.93 0.00 2.13 2.19 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 29 F 8.57 4.54 0.00 3.16 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 3.09 0.00 2.64 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 31 R 7.86 3.83 0.00 2.00 2.14 0.00 3.17 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.67 0.00 32 Q 7.36 4.11 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.04 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 33 L 7.24 4.08 0.00 1.21 1.37 0.30 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.32 4.52 0.00 2.07 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 0.00 0.00 0.00 35 R 7.96 3.84 0.00 1.93 1.95 0.00 3.21 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 36 D 8.23 4.38 0.00 2.75 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 37 G 7.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.26 4.15 0.00 3.99 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 39 R 9.48 4.13 0.00 2.00 2.22 0.00 3.36 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 40 S 7.55 5.04 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.29 4.86 0.00 1.52 1.56 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.13 4.98 0.00 2.88 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 43 A 8.71 4.10 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 44 D 8.05 4.24 0.00 2.82 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 45 E 8.95 3.94 0.00 2.08 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 2.28 2.45 0.00 46 F 8.51 4.29 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.94 3.73 0.00 2.19 2.01 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 48 Q 8.13 4.12 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 49 G 7.61 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.62 4.11 0.00 1.41 1.74 0.46 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.94 4.15 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 52 K 7.79 4.13 0.00 1.93 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.70 7.81 53 L 8.04 4.50 0.00 1.80 1.80 1.02 1.24 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 54 G 8.13 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 55 L 7.28 4.40 0.00 1.66 1.57 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.31 4.43 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 0.86 0.00 0.00 0.92 0.00 0.00 57 L 8.16 4.93 0.00 1.93 1.58 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.32 4.71 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.69 3.95 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 60 A 8.04 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 61 E 8.68 3.95 0.00 2.35 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 2.37 2.47 0.00 62 A 8.25 4.21 1.51 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 0.00 0.00 63 E 8.75 4.02 0.00 2.03 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 2.38 2.67 0.00 64 G 7.91 3.61 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 0.00 0.00 0.00 65 V 8.10 3.73 2.45 0.00 0.00 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 1.21 0.00 0.00 66 C 8.43 4.12 0.00 3.17 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 67 R 8.13 3.87 0.00 2.09 1.98 0.00 3.42 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 68 K 7.79 3.83 0.00 1.62 1.78 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.90 7.81 69 W 7.61 4.86 0.00 3.23 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 70 D 8.04 4.56 0.00 2.78 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 71 R 8.55 4.21 0.00 1.85 2.00 0.00 3.35 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 72 N 8.06 4.91 0.00 2.79 2.86 0.00 0.00 7.01 6.88 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 73 G 8.18 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 74 S 8.20 4.33 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.73 4.87 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 77 L 9.02 4.95 0.00 1.61 1.77 0.73 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 D 9.02 4.92 0.00 2.76 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 79 L 8.29 2.59 0.00 1.03 1.39 0.35 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.91 3.84 0.00 2.03 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 2.37 2.37 0.00 81 E 8.70 4.03 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 82 F 8.50 4.01 0.00 3.19 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 83 L 8.05 3.86 0.00 1.83 1.62 0.86 0.86 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 84 R 7.85 3.88 0.00 1.95 2.07 0.00 3.20 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 85 A 7.07 2.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 6.64 4.14 0.00 1.18 1.49 0.89 0.68 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 87 R 6.76 3.77 0.00 1.80 1.77 0.00 3.25 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 88 P 0.00 4.17 0.00 2.18 2.05 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 89 P 0.00 4.38 0.00 2.07 2.08 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 90 M 8.29 4.23 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 91 S 8.44 4.27 0.00 4.05 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 92 Q 8.62 4.00 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 93 A 7.96 3.96 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 94 R 7.68 4.14 0.00 1.98 1.54 0.00 2.74 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 95 E 8.11 3.98 0.00 2.27 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 2.32 2.34 0.00 96 A 8.68 4.02 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 97 V 7.80 3.61 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 0.82 0.00 0.00 1.25 0.00 0.00 98 I 7.67 3.75 2.17 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 1.21 0.00 0.00 99 A 8.41 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.55 3.90 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 0.00 101 A 8.35 3.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 T 8.85 4.65 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 1.23 0.00 0.00 137 E 9.33 3.51 0.00 2.28 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 2.34 2.33 0.00 138 D 9.16 4.59 0.00 2.94 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 0.00 139 E 8.74 4.08 0.00 2.09 2.39 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 2.43 2.26 0.00 140 V 7.98 3.74 2.36 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 1.02 0.00 0.00 1.03 0.00 0.00 141 L 7.81 4.09 0.00 1.88 1.83 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.26 3.99 0.00 1.91 2.29 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 143 R 8.06 3.97 0.00 2.12 2.23 0.00 3.21 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 144 F 8.24 4.12 0.00 3.21 3.25 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 0.00 145 L 8.21 4.15 0.00 2.18 1.87 1.01 1.30 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 0.00 146 D 8.40 4.41 0.00 3.02 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 0.00 147 N 7.50 4.00 0.00 2.25 1.91 0.00 0.00 7.30 6.98 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 0.00 148 F 7.04 3.99 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.71 4.68 0.00 2.89 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 0.00 150 S 7.88 4.42 0.00 3.87 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.67 4.20 0.00 3.98 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 0.00 152 E 7.77 4.39 0.00 2.11 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 2.23 2.27 0.00 153 K 8.38 4.26 0.00 1.80 1.97 0.00 1.73 0.00 0.00 1.94 0.00 0.00 3.29 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.62 7.81 154 D 8.78 4.82 0.00 2.77 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 0.00 155 G 8.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.00 4.74 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 157 V 8.84 4.71 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 1.19 0.00 0.00 1.08 0.00 0.00 158 T 9.12 4.57 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 159 L 8.17 2.68 0.00 1.02 1.34 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.82 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 0.00 161 E 8.06 3.94 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 162 F 8.32 4.29 0.00 3.12 3.25 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 0.00 163 Q 8.69 4.28 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 164 D 8.16 4.40 0.00 3.04 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 0.00 165 Y 7.79 3.96 0.00 2.92 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 0.00 166 Y 7.65 4.73 0.00 3.23 3.24 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 0.00 167 S 8.45 4.23 0.00 4.03 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 0.00 168 G 8.11 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 0.00 169 V 7.72 3.73 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 0.80 0.00 0.00 1.32 0.00 0.00 170 S 8.32 4.02 0.00 3.47 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 0.00 171 A 7.87 4.11 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 0.00 172 S 7.71 4.33 0.00 4.08 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 M 7.98 4.21 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.59 0.00 174 N 8.89 4.53 0.00 2.72 2.89 0.00 0.00 6.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 7.67 4.72 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 0.00 176 D 8.82 4.49 0.00 2.74 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 E 8.16 3.91 0.00 2.22 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 0.00 2.39 2.43 0.00 178 E 7.92 3.98 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 179 F 8.18 4.09 0.00 3.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.64 3.59 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 1.07 0.00 0.00 1.11 0.00 0.00 181 A 8.48 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 0.00 182 M 7.85 3.89 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 183 M 7.69 3.98 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 184 T 8.07 3.95 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 185 S 8.00 4.12 0.00 4.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 A 8.02 3.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 W 7.99 4.68 0.00 3.45 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Q 7.52 3.36 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 189 L 8.12 4.28 0.00 1.73 1.62 0.97 0.76 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 * Residues marked with a * may have inaccurate shift predictions.