NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0863 8.0244 114.2676 60.7686 39.0766 175.4449 6 T 4.0417 7.9755 115.8552 59.5850 69.4871 173.8824 7 Q 3.9902 8.5504 124.5107 59.7747 28.6603 179.0439 8 S 4.0855 7.7062 115.0611 60.9243 63.0510 175.9760 9 Q 3.9107 8.0879 122.8533 59.0482 28.6721 177.9746 10 E 3.9080 8.3092 120.1194 59.6748 29.6521 178.9444 11 T 3.8397 7.8661 115.4930 66.5923 68.4100 176.6107 12 A 4.0497 8.2777 122.8690 54.9680 18.2495 179.8101 13 I 3.6267 7.7707 118.4364 64.7014 37.2309 178.5698 14 L 4.0288 8.1575 119.9488 57.8488 41.5325 179.4094 15 E 3.9505 8.3433 119.2690 59.4052 29.6183 179.1247 16 S 4.1465 7.9727 115.0617 61.3038 62.8823 176.2656 17 F 4.0283 8.5835 123.7943 61.4441 39.2299 177.1996 18 L 3.9787 8.3051 118.5990 57.7953 41.1475 179.3532 19 E 3.9289 7.7309 117.2642 59.4518 29.7971 179.1376 20 L 3.9569 7.8007 118.9840 57.5931 41.3796 179.7276 21 V 3.4577 7.2105 117.4532 65.3764 31.4916 177.2795 22 K 4.3455 7.5470 115.1653 55.3427 32.3203 176.1364 23 S 4.6859 6.7566 113.5061 55.2966 64.9176 171.8310 24 P 4.5745 0.0000 0.0000 61.9823 32.0544 175.6388 25 Y 3.9281 8.5032 116.5555 59.4227 38.1702 176.4579 26 G 3.3024 8.5204 108.6653 46.9373 0.0000 175.2789 27 N 4.3810 7.3119 119.3693 51.6238 36.1257 174.5842 28 F 4.2667 7.2695 123.3411 60.0596 39.4877 176.5549 29 A 4.0274 8.0605 119.8018 55.6092 18.2077 179.8411 30 S 4.1229 8.3897 113.3715 61.3604 62.7193 177.0347 31 I 3.6948 7.7723 122.9825 64.2280 36.8123 178.5184 32 G 3.4921 8.3601 106.9022 47.5616 0.0000 175.3461 33 K 3.8334 7.8687 122.3306 59.2874 32.1354 178.5083 34 L 3.9676 8.1639 120.7874 58.1240 41.8679 178.8556 35 S 3.9395 8.1203 113.4030 61.7185 62.1053 175.8522 36 H 4.1861 7.9776 117.8653 58.4920 28.4636 177.1742 37 V 3.9933 7.2999 117.3050 64.1639 31.7709 177.4871 38 L 4.4069 7.9123 118.1706 55.9752 42.8478 177.1086 39 N 4.5746 7.8515 118.4292 51.8538 37.2663 175.1005 40 D 4.6412 7.8792 123.9096 51.7698 42.2664 175.1268 41 P 4.0321 0.0000 0.0000 65.6854 31.0761 178.4004 42 D 4.3284 7.9251 116.2238 57.6609 41.1833 178.4644 43 T 3.8091 7.9133 115.5838 66.6787 68.4515 176.3528 44 L 3.7352 7.7427 120.8829 57.8410 41.4855 179.4760 45 Q 4.1456 8.1360 119.3867 59.1664 28.8921 178.4659 46 K 4.0522 7.8468 119.4127 59.0696 31.9606 179.6365 47 V 3.5569 7.7426 118.7796 65.9585 31.5475 178.1649 48 V 3.4658 8.0869 118.1190 65.8475 31.0361 177.8467 49 A 3.8994 7.8149 119.2870 55.1697 18.6327 179.3299 50 V 3.7148 7.9972 116.9529 66.3965 31.7536 178.3124 51 L 4.1662 8.2339 118.5759 57.6137 41.5802 178.8251 52 S 4.8277 8.0508 113.2454 59.3380 62.7767 175.3089 53 L 4.3512 7.7289 121.5325 54.9035 41.9839 176.4583 54 T 4.7852 6.9787 109.0919 58.4292 71.8733 173.3055 55 P 4.2575 0.0000 0.0000 66.3166 31.2358 178.5606 56 Q 4.0355 8.1019 118.9752 58.6060 29.1475 178.2678 57 G 4.1959 8.6905 108.5104 47.3572 0.0000 175.8534 58 K 4.2662 8.3372 122.3070 59.7680 32.4009 178.9162 59 Q 4.0973 8.2053 120.2125 58.7267 28.9326 177.9946 60 A 3.7737 7.7636 121.5916 55.0734 18.1328 179.6550 61 F 4.2035 7.9290 115.1747 60.0508 39.0317 177.1647 62 E 4.2183 7.8196 116.5515 58.4510 29.9589 177.7725 63 D 4.4039 8.1539 118.6342 53.5835 42.7307 176.6199 64 R 2.5100 7.5680 117.4118 56.1035 27.5340 172.9459 65 P 4.4667 0.0000 0.0000 62.3120 33.1844 177.0886 *67 L 4.2883 8.4122 117.0034 54.2862 43.1821 178.2643 68 G 3.8714 8.0910 103.0671 43.9236 0.0000 172.0912 69 K 4.0427 8.4679 119.5931 56.5477 32.5341 176.2607 70 I 4.4622 8.3360 126.6564 59.7866 39.2666 175.8963 71 D 4.7049 8.2091 124.6884 51.8542 40.5758 176.2532 72 L 3.8276 8.1418 125.3869 57.6318 41.7166 178.6020 73 E 3.9102 8.0685 115.1762 59.4679 29.5135 178.6431 74 Q 4.0386 7.9708 120.3021 59.1602 29.3729 178.1066 75 L 3.9598 7.7998 119.8653 57.8638 41.3658 178.4015 76 H 4.2625 8.0099 115.8905 57.3663 29.9501 175.3628 77 Q 4.4423 8.0309 118.2714 56.4541 29.0588 175.6893 78 L 4.3853 7.5332 118.4749 52.8030 42.9562 174.8548 79 P 3.8730 0.0000 0.0000 62.5997 31.5102 177.3022 80 N 3.1400 8.0294 120.4458 55.8793 38.8094 174.8199 81 Y 4.5673 6.5759 114.1878 57.0109 38.9861 175.5282 82 T 4.8608 7.4553 111.2982 60.9549 70.0665 174.7165 83 L 4.2331 8.8658 125.3164 58.4230 42.6555 178.5856 84 G 3.9700 8.8842 108.1264 49.1243 0.0000 175.7812 85 Y 4.0916 7.8863 118.5810 57.8855 38.2511 176.9005 *87 Y 4.5529 8.0967 119.8213 57.1191 40.5385 176.7762 88 A 3.5194 7.8549 120.8816 55.0936 18.7919 178.2082 89 D 4.2365 7.9772 115.6367 57.6908 41.4440 178.1905 90 H 3.9463 7.7168 115.6290 56.7591 29.3989 176.5165 *92 I 3.9863 7.7837 113.7092 60.3310 39.1213 177.6453 93 R 3.8670 7.8397 120.1891 58.3281 29.9860 176.5758 94 N 4.7369 7.7023 112.9938 52.0305 38.6850 174.4541 95 Q 3.3308 7.3126 115.0934 56.9006 27.0699 173.7650 96 L 4.6715 7.6813 114.8643 53.2921 43.9101 176.0417 97 T 4.5441 8.0547 115.7561 59.0116 69.4869 172.2405 98 P 4.4164 0.0000 0.0000 62.2197 31.6612 174.3188 99 P 4.3944 0.0000 0.0000 61.9123 31.8677 174.4850 100 P 4.3226 0.0000 0.0000 62.5216 31.7956 177.0088 101 V 3.7499 8.1624 120.1996 63.3354 29.9431 174.7115 102 N 4.8653 8.2833 124.3151 52.5303 40.0826 174.5984 103 E 4.7449 8.4179 119.0973 55.9764 32.4245 176.6030 104 N 4.8546 8.6959 118.8016 52.5928 36.5003 175.3587 105 V 4.7087 7.3252 113.7321 61.3103 33.4189 176.8905 106 N 4.9118 8.4994 114.3914 53.6714 38.5596 174.7385 107 H 4.8091 7.8620 116.4330 53.7037 33.3737 171.1413 108 P 4.7935 0.0000 0.0000 66.2701 31.4035 179.7141 109 F 4.7881 8.3145 113.3055 58.4010 38.6002 176.8747 *111 F 4.7967 8.2032 124.8725 58.3098 41.1535 176.5787 112 L 4.0387 8.8435 121.8894 58.3155 41.8425 178.9504 113 A 3.9756 8.1598 120.2870 55.1172 18.3830 179.5114 114 A 3.9454 7.9224 118.8896 55.4972 18.4099 179.2395 115 H 3.9849 8.5248 117.0905 59.3511 29.6590 177.5913 116 L 4.0541 7.8264 119.9366 57.4674 41.1696 179.4794 117 G 3.6722 8.1264 106.0243 47.7327 0.0000 175.4510 118 E 4.2462 8.1495 118.4485 57.6684 30.0528 177.8920 119 T 4.4513 7.3629 110.0693 61.6430 69.1891 175.2699 120 H 4.2325 7.6747 123.3239 59.3802 29.9424 176.8367 121 D 4.5011 8.2078 119.7564 57.1981 40.6404 178.7095 122 I 3.6004 7.6215 120.1527 64.1353 37.1233 178.2836 123 W 3.8726 8.4948 119.8689 59.6923 28.7478 178.3028 124 H 3.9832 7.8960 116.0905 58.7952 28.2782 177.7971 125 V 3.4731 7.5172 119.5097 66.2022 31.2317 178.2312 126 V 3.4982 7.6134 116.9487 66.1188 31.3717 177.4640 127 T 3.8184 7.6376 111.5887 62.4422 67.1153 175.1105 128 G 3.8125 7.5321 107.8305 46.3273 0.0000 172.6959 129 C 4.4275 7.6985 117.5013 58.0924 29.0788 173.8618 130 D 4.5676 8.5798 124.3088 54.9412 41.0495 176.5272 131 T 4.3633 8.2206 113.3925 62.2664 67.6172 174.6759 132 D 4.6494 7.5978 121.3746 52.6668 42.2820 176.8971 133 K 3.4807 8.2371 118.0664 59.1524 31.9324 177.7505 134 P 4.4768 0.0000 0.0000 65.7701 31.1927 178.6248 135 G 3.9633 8.4561 107.2062 47.2081 0.0000 175.6565 136 E 4.2116 8.4346 121.0277 59.2329 29.4400 179.5598 137 V 4.0354 7.9886 119.7824 65.1976 31.6057 177.9200 138 K 4.1613 8.3452 119.5245 59.6869 32.0669 178.4989 139 L 4.0383 8.1134 120.4773 58.2291 41.4845 178.7432 140 E 4.3354 8.6958 118.4232 59.5359 29.5427 179.1966 141 A 4.2893 8.5990 121.0843 54.9801 18.3622 179.4462 142 F 4.2243 8.3625 120.5651 61.2753 39.4147 176.8224 143 Y 4.1898 8.5278 116.7294 61.5255 37.2869 178.8778 144 T 4.1097 8.1875 115.3220 66.8937 68.7031 176.1842 145 A 4.1449 8.0936 121.2264 54.7367 18.4284 178.8850 146 Q 4.3418 7.7648 113.8330 56.3315 29.3828 176.4973 147 L 4.8224 7.7819 119.9367 54.1876 42.4529 176.1591 148 I 4.0894 7.9973 119.4417 61.6491 37.5685 174.3948 149 P 4.8229 0.0000 0.0000 62.1832 31.6703 175.4752 150 D 4.5457 8.0711 117.6972 55.9187 42.3087 176.0717 151 R 4.5081 8.2884 120.9224 56.7745 31.9176 178.1693 152 L 3.7650 7.9656 119.9161 58.4542 41.9860 178.9382 153 F 4.2052 8.1494 117.3338 60.4039 38.8638 177.5144 154 L 4.0154 8.0674 119.3871 58.1930 42.0329 178.7995 155 A 4.1258 7.9988 120.2700 54.9688 18.3694 179.6444 156 L 4.0003 8.0611 117.9235 57.7504 41.6536 179.5777 157 L 4.0557 8.1733 118.8967 57.6099 41.5269 179.1964 158 A 4.0890 8.0340 120.8877 55.2434 18.3952 179.8447 159 K 3.7483 8.3386 117.2133 60.2624 32.5414 179.1036 160 N 4.4470 8.1010 117.2441 55.8187 38.3917 177.4407 161 L 4.0965 8.0895 120.7689 57.4644 41.5143 179.1859 162 L 3.9638 7.9981 119.7031 57.9383 42.1541 178.4505 163 K 4.1724 8.2916 118.9228 59.9036 32.3881 178.5606 164 T 4.1445 8.1273 115.6309 66.5461 68.1779 176.6418 165 A 3.8251 7.6073 116.9122 53.8543 18.1856 177.7103 *167 Y 4.7701 7.7499 117.6003 58.8557 40.5207 175.5486 168 E 4.9483 8.1805 119.6183 53.8274 30.7453 176.9252 169 V 3.7012 7.8855 121.0025 64.8160 31.4561 177.3150 170 E 4.0814 8.2044 116.3947 58.1941 29.6032 177.7057 171 L 4.4326 8.0421 119.6688 54.7249 41.9769 177.3619 172 C 3.8929 8.1591 121.0264 62.8859 31.3599 175.1393 173 E 3.9713 8.2729 119.0584 59.9874 29.1219 179.5314 174 Q 4.0376 8.0583 117.0680 58.8767 28.7640 178.9237 175 I 3.7543 8.0956 121.1252 64.5514 37.1615 178.5791 176 L 4.0800 8.2001 119.8869 57.7397 41.3834 179.3216 177 D 4.4914 8.5122 119.4002 57.0822 40.6276 179.0594 178 G 3.6123 8.1824 106.3724 47.6400 0.0000 175.3811 179 L 4.0664 8.1055 123.3968 58.2221 41.8974 179.0011 180 T 4.0044 7.9482 114.2198 67.0609 68.5313 176.2286 181 Q 4.3333 8.2113 118.4951 58.9501 28.6629 178.7972 182 G 3.9545 8.6768 107.2400 46.9882 0.0000 173.9494 183 W 5.0008 8.5161 131.7534 57.5713 26.2580 176.3593 *186 G 2.8563 7.6716 109.3831 45.0603 0.0000 172.8581 187 K 3.7311 7.3582 118.6133 58.8098 32.1935 178.4401 188 R 3.9090 7.6783 117.7008 58.6226 30.3803 176.4342 189 A 4.6301 7.3954 117.6897 51.0639 19.2497 177.5050 190 K 4.2839 8.4416 119.3338 55.0310 33.4339 175.5368 191 P 4.5457 0.0000 0.0000 63.2255 30.8741 176.9464 192 L 4.1834 9.1001 123.6888 55.4307 42.3356 176.7835 193 F 4.6659 8.2968 121.4940 59.6214 39.7338 174.8764 194 G 3.4612 8.0148 116.2159 44.9677 0.0000 173.8690 195 I 3.2401 6.5265 119.6812 61.6208 37.5886 176.6127 196 E 4.1788 7.7798 124.6868 54.1829 28.2403 176.5540 197 W 3.9860 7.7734 123.7825 59.3600 29.4794 177.8806 198 N 3.3536 7.8281 112.5072 53.7716 36.6018 175.1906 199 K 4.4177 7.3692 117.0339 56.3831 32.8513 176.2604 200 L 4.7788 7.5419 117.8852 54.0581 42.9785 178.3479 201 W 4.8446 8.1276 121.7752 60.0108 29.0186 177.2556 202 E 4.6615 8.2841 114.5228 56.5399 29.4594 175.9821 203 T 4.3970 7.9281 117.6679 61.9394 69.6990 172.6299 204 P 4.9294 0.0000 0.0000 62.3502 32.4459 176.8478 205 L 4.0215 8.9763 125.5791 58.6864 42.0770 179.0738 206 E 4.2538 8.1802 118.9584 58.9516 29.2985 179.2101 207 E 3.9642 8.0961 118.0639 59.2600 29.5330 178.8762 208 L 3.9639 8.0948 120.4110 58.3317 41.6722 179.1125 209 Q 4.0323 8.5253 118.3986 59.1567 28.6207 178.8525 210 T 3.9428 7.9132 117.1390 66.5872 68.3453 176.7794 211 S 4.3086 8.2740 114.5007 60.1767 63.3988 175.2662 212 L 4.4078 7.5305 121.7144 53.4116 41.6962 175.8750 213 N 4.3715 8.0949 116.0206 54.5709 36.4835 173.9564 214 I 4.4947 8.1797 118.9341 59.7388 38.7161 176.7059 215 V 4.2264 8.0774 126.3774 60.1163 31.0309 173.4060 216 P 4.4441 0.0000 0.0000 62.4623 31.3036 177.0196 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 I 8.02 4.09 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 1.10 0.89 0.00 0.00 6 T 7.98 4.04 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 1.24 0.00 0.00 7 Q 8.55 3.99 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 8 S 7.71 4.09 0.00 4.17 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 0.00 9 Q 8.09 3.91 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 10 E 8.31 3.91 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 11 T 7.87 3.84 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 A 8.28 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.77 3.63 2.00 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 1.81 0.93 0.88 0.00 0.00 14 L 8.16 4.03 0.00 1.85 1.75 0.81 1.12 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 15 E 8.34 3.95 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 16 S 7.97 4.15 0.00 4.12 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 17 F 8.58 4.03 0.00 3.18 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 18 L 8.31 3.98 0.00 1.95 1.72 1.08 1.06 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 19 E 7.73 3.93 0.00 2.11 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 2.31 2.33 0.00 20 L 7.80 3.96 0.00 1.54 1.45 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.21 3.46 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.39 0.00 0.00 22 K 7.55 4.35 0.00 1.76 1.77 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.46 7.81 23 S 6.76 4.69 0.00 3.86 3.72 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 24 P 0.00 4.57 0.00 2.21 2.01 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 25 Y 8.50 3.93 0.00 2.83 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 26 G 8.52 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.31 4.38 0.00 2.74 2.54 0.00 0.00 7.09 7.71 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 28 F 7.27 4.27 0.00 3.13 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 29 A 8.06 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 30 S 8.39 4.12 0.00 3.89 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 31 I 7.77 3.69 2.02 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 1.55 0.92 0.79 0.00 0.00 32 G 8.36 3.49 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 0.00 0.00 0.00 33 K 7.87 3.83 0.00 1.97 2.01 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 L 8.16 3.97 0.00 1.73 1.76 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.12 3.94 0.00 3.82 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 36 H 7.98 4.19 0.00 3.27 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.30 3.99 2.07 0.00 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0.00 0.00 0.00 54 T 6.98 4.79 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 1.26 0.00 0.00 55 P 0.00 4.26 0.00 2.28 2.36 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 56 Q 8.10 4.04 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 57 G 8.69 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 0.00 0.00 0.00 58 K 8.34 4.27 0.00 2.14 2.40 0.00 1.23 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.71 7.81 59 Q 8.21 4.10 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 60 A 7.76 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.93 4.20 0.00 3.32 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 62 E 7.82 4.22 0.00 2.06 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7.83 4.05 0.00 1.70 1.62 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.13 3.67 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 0.00 0.00 0.00 118 E 8.15 4.25 0.00 2.19 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 2.55 2.34 0.00 119 T 7.36 4.45 4.43 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 0.00 0.00 0.00 1.35 0.00 0.00 120 H 7.67 4.23 0.00 3.42 3.42 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.21 4.50 0.00 3.05 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 0.00 122 I 7.62 3.60 1.59 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.03 -0.79 0.00 0.00 123 W 8.49 3.87 0.00 3.30 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.90 3.98 0.00 3.14 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.52 3.47 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 1.03 0.00 0.00 0.94 0.00 0.00 126 V 7.61 3.50 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 0.78 0.00 0.00 0.51 0.00 0.00 127 T 7.64 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 128 G 7.53 3.81 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 0.00 0.00 0.00 129 C 7.70 4.43 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.58 4.57 0.00 2.93 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 0.00 131 T 8.22 4.36 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 1.26 0.00 0.00 132 D 7.60 4.65 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 0.00 133 K 8.24 3.48 0.00 1.67 1.76 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.97 7.81 134 P 0.00 4.48 0.00 2.30 2.34 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.04 0.00 135 G 8.46 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 0.00 136 E 8.43 4.21 0.00 2.40 2.29 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 2.66 2.62 0.00 137 V 7.99 4.04 2.34 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 1.34 0.00 0.00 1.17 0.00 0.00 138 K 8.35 4.16 0.00 2.09 2.10 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.78 7.81 139 L 8.11 4.04 0.00 1.78 1.91 0.68 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.70 4.34 0.00 2.44 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 141 A 8.60 4.29 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 0.00 0.00 0.00 0.00 0.00 142 F 8.36 4.22 0.00 3.33 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 0.00 143 Y 8.53 4.19 0.00 2.65 1.49 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 0.00 144 T 8.19 4.11 4.75 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 1.40 0.00 0.00 145 A 8.09 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.76 4.34 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.23 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 147 L 7.78 4.82 0.00 1.98 1.77 1.09 0.88 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 0.00 148 I 8.00 4.09 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.77 0.98 0.00 0.00 149 P 0.00 4.82 0.00 2.19 2.15 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 150 D 8.07 4.55 0.00 2.78 2.86 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 0.00 151 R 8.29 4.51 0.00 1.82 1.89 0.00 3.32 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 152 L 7.97 3.77 0.00 1.61 1.30 0.72 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.15 4.21 0.00 3.26 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 0.00 154 L 8.07 4.02 0.00 1.76 1.68 0.90 1.24 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 0.00 155 A 8.00 4.13 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.06 4.00 0.00 2.07 1.81 0.82 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.17 4.06 0.00 1.92 1.76 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.03 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 3.75 0.00 1.43 1.42 0.00 0.90 0.00 0.00 1.32 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.20 1.63 7.81 160 N 8.10 4.45 0.00 2.96 3.00 0.00 0.00 7.02 6.12 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 0.00 161 L 8.09 4.10 0.00 1.87 1.74 0.94 0.38 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 0.00 162 L 8.00 3.96 0.00 1.73 1.89 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 163 K 8.29 4.17 0.00 1.82 2.06 0.00 1.89 0.00 0.00 1.95 0.00 0.00 2.78 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.65 1.87 7.81 164 T 8.13 4.14 4.43 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 0.00 0.00 0.00 1.29 0.00 0.00 165 A 7.61 3.83 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *167 Y 7.75 4.77 0.00 3.05 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 0.00 168 E 8.18 4.95 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 169 V 7.89 3.70 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 1.03 0.00 0.00 0.94 0.00 0.00 170 E 8.20 4.08 0.00 2.15 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 0.00 2.29 2.36 0.00 171 L 8.04 4.43 0.00 1.99 1.76 0.93 0.82 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 0.00 172 C 8.16 3.89 0.00 3.12 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 0.00 173 E 8.27 3.97 0.00 2.03 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 2.42 2.38 0.00 174 Q 8.06 4.04 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 175 I 8.10 3.75 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.92 0.99 0.00 0.00 176 L 8.20 4.08 0.00 1.95 1.74 0.95 1.05 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 0.00 177 D 8.51 4.49 0.00 2.79 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 0.00 178 G 8.18 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 0.00 179 L 8.11 4.07 0.00 1.91 1.91 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.95 4.00 4.51 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 1.30 0.00 0.00 181 Q 8.21 4.33 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 182 G 8.68 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 0.00 183 W 8.52 5.00 0.00 3.44 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 *186 G 7.67 2.86 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 0.00 187 K 7.36 3.73 0.00 1.37 1.53 0.00 0.61 0.00 0.00 0.67 0.00 0.00 2.59 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.69 0.28 7.81 188 R 7.68 3.91 0.00 1.69 1.88 0.00 3.21 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 189 A 7.40 4.63 1.27 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 0.00 0.00 0.00 190 K 8.44 4.28 0.00 1.62 1.72 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.39 7.81 191 P 0.00 4.55 0.00 1.99 2.10 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 192 L 9.10 4.18 0.00 0.63 0.65 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 193 F 8.30 4.67 0.00 3.35 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 0.00 194 G 8.01 3.46 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 0.00 195 I 6.53 3.24 0.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.09 -0.88 0.00 0.00 196 E 7.78 4.18 0.00 1.78 1.71 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 2.22 2.14 0.00 197 W 7.77 3.99 0.00 3.05 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 0.00 198 N 7.83 3.35 0.00 2.92 2.98 0.00 0.00 5.86 7.13 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 0.00 199 K 7.37 4.42 0.00 1.73 1.74 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.25 7.81 200 L 7.54 4.78 0.00 1.59 1.62 0.67 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 201 W 8.13 4.84 0.00 3.40 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.28 4.66 0.00 2.06 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 2.47 0.00 203 T 7.93 4.40 4.44 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 1.26 0.00 0.00 204 P 0.00 4.93 0.00 2.16 1.95 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 205 L 8.98 4.02 0.00 1.85 1.77 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 206 E 8.18 4.25 0.00 2.06 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 2.42 2.30 0.00 207 E 8.10 3.96 0.00 2.17 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 2.38 2.34 0.00 208 L 8.09 3.96 0.00 1.83 1.92 0.95 0.76 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 0.00 209 Q 8.53 4.03 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 210 T 7.91 3.94 4.38 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 1.20 0.00 0.00 211 S 8.27 4.31 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 L 7.53 4.41 0.00 2.00 1.71 0.85 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 213 N 8.09 4.37 0.00 2.94 2.86 0.00 0.00 6.84 7.09 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 0.00 214 I 8.18 4.49 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.89 0.00 0.00 215 V 8.08 4.23 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 0.86 0.00 0.00 0.93 0.00 0.00 216 P 0.00 4.44 0.00 2.22 2.01 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.