NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 H 4.8033 8.4449 117.8357 55.5814 30.1730 172.6968 53 L 4.2900 8.3965 123.9656 53.7392 42.9497 175.5219 54 I 4.2329 8.5520 123.1599 57.9461 38.9672 172.4915 55 P 3.3451 0.0000 0.0000 61.2902 31.9343 174.7759 56 P 5.1163 0.0000 0.0000 61.4995 31.6958 175.1635 57 L 3.9846 8.5463 119.6568 57.3088 41.9115 176.5581 58 N 4.4831 9.1012 120.1649 53.8734 36.5008 173.6771 59 F 4.4832 7.9726 118.9709 58.0741 40.2228 174.1345 60 S 3.7497 7.7457 122.8205 60.0964 70.0800 177.2476 *62 V 4.0190 9.1264 118.0860 62.1453 32.6885 175.6566 63 D 4.9307 6.0500 121.7465 52.7706 42.9300 173.5549 64 N 4.0086 8.8632 112.3882 56.7943 39.4959 175.8478 65 G 4.0644 7.7619 100.9828 46.0692 0.0000 171.6867 66 I 4.6235 7.0406 119.8763 58.9751 40.5107 174.8501 67 F 5.3797 8.7266 123.4407 55.7627 43.1771 174.2991 68 R 5.2556 9.1104 116.6600 55.1216 33.1042 174.0122 69 S 4.6771 8.1497 113.7641 59.6592 66.7507 176.3867 70 G 3.9531 10.3944 110.0569 48.6213 0.0000 174.1747 71 F 4.8258 9.0465 124.5748 55.6479 42.6796 172.7105 72 P 4.8758 0.0000 0.0000 63.0449 32.3336 175.0435 73 D 5.1773 8.4786 118.9191 52.0208 42.3222 176.5368 74 S 2.0000 8.0146 114.6541 61.0309 62.4052 177.0868 75 A 3.8548 7.1935 120.0678 54.1973 18.3678 178.2248 76 N 5.1381 8.2450 116.2103 52.6620 38.6784 176.9500 77 F 3.9689 7.5954 120.9711 60.7463 38.8199 176.9214 78 S 4.1784 8.2482 111.6239 61.9864 62.4791 175.6828 79 F 4.1352 8.1506 123.8579 60.6286 39.5542 176.7153 80 L 3.9146 8.3185 118.6683 57.5319 41.4213 179.5010 81 Q 4.7804 9.1414 119.9731 56.2088 28.9720 176.6582 82 T 4.5924 7.5089 113.3464 63.8195 73.1749 175.8635 83 L 4.0439 7.5407 119.2059 55.1778 41.5391 176.8042 84 G 3.7542 7.6324 106.0572 46.3057 0.0000 174.4808 85 L 4.2504 8.1180 119.7411 55.0949 41.9363 177.1356 86 R 4.5145 9.3589 125.6818 57.7146 31.8549 175.6139 87 S 5.1904 7.6752 111.5371 57.8499 66.4263 173.6559 88 I 5.0869 9.3259 120.3320 59.6925 41.3207 175.2137 89 I 4.7834 9.1910 127.1265 60.0476 39.0137 173.8533 90 Y 4.7806 8.6895 129.9116 55.4095 39.9784 175.1211 91 L 4.5238 9.2152 130.5714 55.5681 42.9247 176.5052 92 C 4.8875 6.6453 115.6124 57.3273 31.2227 172.7906 93 P 4.5186 0.0000 0.0000 63.2701 31.1579 175.6294 94 E 4.8842 7.7056 116.9671 54.6006 32.6579 174.4275 95 P 4.6620 0.0000 0.0000 62.3612 32.1490 175.8175 96 Y 4.1599 8.5856 122.6293 56.2557 39.3789 174.1460 97 P 4.2208 0.0000 0.0000 63.7190 32.0694 176.2516 98 E 4.0150 8.9416 122.7136 59.8345 29.1321 179.4057 99 S 4.2367 8.2711 114.1619 62.0587 62.9617 176.7163 100 N 4.5892 8.1928 118.0872 56.5439 38.5126 176.9372 101 L 4.2473 8.7227 122.2659 58.4316 41.5302 178.8837 102 Q 3.9369 8.6172 119.9014 59.0694 28.7843 178.1256 103 F 3.8249 7.3486 119.9431 61.4690 38.1340 176.0968 104 L 3.9445 8.2594 119.2210 59.6516 41.6060 178.7782 105 K 3.8147 8.4518 118.1315 59.0851 32.5121 179.7335 106 S 4.5285 7.6902 116.8159 57.4890 61.7657 175.5647 107 N 4.5356 7.8124 111.6380 54.4662 41.6694 175.0585 108 G 3.8718 7.7019 106.1167 46.7330 0.0000 173.8435 109 I 4.5464 6.9983 119.9675 59.2397 38.9217 176.1546 110 R 4.3338 8.7998 126.7568 55.2907 31.8832 175.2089 111 L 5.0064 8.1091 123.7699 53.2958 44.5246 175.5150 112 F 4.2458 9.3413 124.9860 55.9057 41.4333 174.2372 113 Q 4.9730 8.1143 126.2757 53.8282 29.3316 174.8892 114 F 4.5744 8.2056 126.6396 55.0150 37.7902 173.4773 115 G 3.7271 8.3064 106.7863 46.7127 0.0000 170.0811 116 I 4.5067 7.6548 120.6167 58.2668 39.2143 175.4966 117 E 3.7670 9.0265 128.0703 56.4940 29.7761 176.1868 118 G 3.9949 8.6216 114.6880 43.8909 0.0000 171.8112 119 N 5.0336 8.2437 123.3429 50.7379 41.9656 174.1809 120 K 4.2046 8.2690 121.5574 56.0424 32.8922 177.6589 121 E 3.9075 8.8958 121.9153 58.8195 29.6974 176.3261 122 P 4.3205 0.0000 0.0000 65.5267 30.9897 176.0774 123 F 4.7883 7.9653 122.1066 57.0755 41.1010 172.4751 124 V 4.2532 7.9203 130.2929 62.8446 34.0194 173.3830 125 N 4.4795 7.8209 121.5132 53.7808 40.9632 174.3960 126 I 3.9457 7.9083 127.3065 59.3927 38.4679 175.0009 127 P 4.4303 0.0000 0.0000 61.9482 30.9215 176.3982 128 D 4.7408 8.7346 123.2534 58.0162 41.0308 176.9620 129 H 4.2012 8.3165 116.9617 59.0047 29.9556 176.4862 130 K 3.9676 8.0198 119.9033 59.9532 32.3143 178.4898 131 I 3.8015 7.7502 119.4645 64.5440 36.9641 179.6968 132 R 4.1828 7.9094 116.9798 56.3084 29.9364 178.6640 *134 A 3.1578 7.9886 123.0862 51.7838 20.1515 179.7402 135 L 4.1841 8.0187 116.9783 57.3104 41.6978 179.1560 136 K 3.9191 7.8943 119.6545 59.5601 32.5756 178.5671 137 V 3.6132 7.5213 117.8717 65.9753 31.3442 177.2656 138 L 3.9552 7.9730 118.9302 58.3866 41.9118 178.4798 139 L 4.3667 7.3875 115.8673 54.9800 41.8450 176.4678 140 D 4.5220 8.1432 120.7813 52.8829 41.2266 176.1891 141 E 3.6866 8.8555 127.7075 59.5193 29.6295 179.9689 142 K 4.0074 8.2148 117.0271 59.2356 32.2668 178.0138 143 N 4.5537 8.1358 116.1251 55.8802 38.7835 175.7757 144 H 4.5759 7.6986 114.2534 55.0254 29.5386 173.1785 145 P 4.8395 0.0000 0.0000 61.9499 32.5415 175.5598 146 V 5.6258 8.4356 122.8836 60.0248 35.7870 173.3902 147 L 5.3080 8.5358 126.2998 53.4465 44.8858 174.7901 148 I 4.9548 8.8100 127.9546 60.4841 38.9229 174.5009 149 H 5.3904 9.9180 121.5867 54.6309 32.1596 173.6240 150 C 4.7994 8.6872 116.8578 58.5017 31.1113 174.9235 151 K 4.5936 9.4992 116.3366 57.3518 32.0927 176.6474 152 R 4.3321 7.8348 116.2477 55.2645 31.2911 176.6046 153 G 3.7395 8.0595 105.5588 47.0911 0.0000 174.3558 154 K 4.2081 7.8810 117.4658 57.3673 34.4905 177.6589 155 H 4.8991 7.2456 114.8231 57.5504 29.1287 177.1830 156 R 3.8794 7.9187 118.7905 60.3978 30.2780 178.8788 157 T 4.1093 7.9061 114.2042 65.5352 68.4449 176.5321 158 G 3.8259 8.3277 110.4148 46.8734 0.0000 175.8518 159 C 4.2461 8.1505 119.2281 62.4622 28.2002 175.5784 160 L 3.8924 7.9299 121.3177 58.4947 41.4980 179.2350 161 V 3.5700 7.3745 117.4160 65.6746 31.4514 178.1825 162 G 3.5693 8.3252 105.8627 47.9846 0.0000 175.3919 163 C 3.7540 8.9212 120.4124 62.1074 28.0510 175.6049 164 L 3.7506 7.8810 122.2850 58.6139 41.4062 179.2975 165 R 3.6340 7.6405 118.8569 58.1047 29.6921 178.9570 166 K 3.8208 7.7019 119.2329 59.6561 32.0935 178.9204 167 L 3.6626 7.8401 117.6986 57.4684 41.8929 178.6232 168 Q 4.2562 7.7287 116.4749 54.9283 29.0702 175.5963 169 K 4.1079 8.6198 118.9687 57.3792 29.6107 175.5971 170 W 4.8411 7.8450 117.6148 55.4925 31.2318 176.7884 171 C 4.4512 8.3231 115.4704 57.5973 31.2003 174.4359 172 L 3.3049 8.5698 124.0946 58.4576 41.0676 179.8187 173 T 4.1819 7.7991 114.8213 66.9528 68.4201 176.5024 174 S 4.2176 7.9813 114.2643 61.1904 62.5676 176.0856 175 I 4.0132 8.4283 123.3861 64.5341 36.9260 178.3136 176 F 4.6905 8.7032 119.5491 60.4922 38.6176 177.4708 177 D 4.4250 8.1798 117.7418 57.4253 40.8906 177.7560 178 E 3.9966 7.9432 118.5993 59.3750 29.6380 177.6767 179 Y 4.3368 8.2070 119.3168 61.2016 38.4681 178.4195 180 Q 4.1942 8.6860 118.4130 58.4249 28.6339 178.3206 181 R 3.5127 8.0069 119.4255 58.6328 30.2869 177.7434 182 F 4.5271 7.5689 116.4437 59.5286 39.6308 177.7850 183 A 3.8506 7.6072 117.2413 52.0118 18.3962 179.8786 184 A 3.4311 8.4412 116.4095 52.3319 18.9514 178.0232 185 A 3.5678 8.5184 119.7637 57.9002 18.6132 178.2382 186 K 4.2871 7.9623 113.6752 54.5620 33.7107 176.8202 187 A 4.6435 8.3427 125.7583 50.5323 21.2646 175.5846 188 R 4.3432 8.7276 122.0736 56.1546 31.5769 177.6396 189 V 3.7431 8.1904 119.5565 65.6582 31.6993 178.6453 190 S 4.1085 7.9849 114.4026 61.9758 62.4568 176.4170 191 D 4.3259 7.8973 119.7623 57.1844 40.6169 178.4639 192 Q 3.9277 7.4040 117.5866 58.6613 29.0712 177.8957 193 R 4.0515 7.9356 119.7818 59.2492 29.8623 178.0465 194 F 3.7591 7.9754 118.6174 59.5897 39.8387 175.2364 *196 E 4.5935 8.1211 120.8759 55.1697 30.9683 175.9274 197 I 4.3832 7.5374 111.8507 60.1405 37.8764 175.7689 198 F 4.1092 8.1496 124.6489 58.1333 38.4594 174.1443 199 D 4.3688 7.7844 127.6349 53.5792 41.8975 175.4786 200 V 4.3181 7.7729 123.5974 60.9741 35.1014 174.1690 201 S 3.8555 8.8645 122.4257 58.5620 61.3850 174.6315 202 S 4.1785 9.1026 123.9522 59.6554 62.3842 170.7681 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 52 H 8.44 4.80 0.00 3.16 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.40 4.29 0.00 1.80 1.78 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.55 4.23 2.00 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 1.33 1.03 0.78 0.00 0.00 55 P 0.00 3.35 0.00 1.55 0.49 0.00 3.27 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 56 P 0.00 5.12 0.00 2.27 2.24 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.05 0.00 57 L 8.55 3.98 0.00 1.76 1.68 0.94 0.64 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 58 N 9.10 4.48 0.00 3.00 2.86 0.00 0.00 6.76 8.13 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 59 F 7.97 4.48 0.00 3.20 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 60 S 7.75 3.75 0.00 4.07 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 *62 V 9.13 4.02 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 0.66 0.00 0.00 0.83 0.00 0.00 63 D 6.05 4.93 0.00 2.60 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 64 N 8.86 4.01 0.00 2.71 2.70 0.00 0.00 6.97 7.86 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 65 G 7.76 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 66 I 7.04 4.62 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.66 0.79 0.00 0.00 67 F 8.73 5.38 0.00 3.22 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 68 R 9.11 5.26 0.00 1.56 1.80 0.00 2.47 0.00 0.00 2.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 69 S 8.15 4.68 0.00 4.23 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 70 G 10.39 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 71 F 9.05 4.83 0.00 3.32 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 72 P 0.00 4.88 0.00 1.89 1.95 0.00 2.91 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 73 D 8.48 5.18 0.00 2.61 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 74 S 8.01 2.00 0.00 3.54 3.64 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 75 A 7.19 3.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.25 5.14 0.00 2.66 2.79 0.00 0.00 7.24 8.01 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 77 F 7.60 3.97 0.00 2.97 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 78 S 8.25 4.18 0.00 4.07 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 79 F 8.15 4.14 0.00 2.91 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 80 L 8.32 3.91 0.00 1.83 1.71 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.14 4.78 0.00 2.63 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 82 T 7.51 4.59 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 1.10 0.00 0.00 83 L 7.54 4.04 0.00 1.53 1.59 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.63 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 85 L 8.12 4.25 0.00 1.73 1.76 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.36 4.51 0.00 1.89 2.17 0.00 3.42 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 87 S 7.68 5.19 0.00 4.31 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 9.33 5.09 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 1.01 0.00 0.00 89 I 9.19 4.78 1.94 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 1.17 1.06 1.08 0.00 0.00 90 Y 8.69 4.78 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 91 L 9.22 4.52 0.00 1.56 1.62 0.92 0.78 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 92 C 6.65 4.89 0.00 2.61 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 93 P 0.00 4.52 0.00 2.17 2.10 0.00 3.67 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 1.99 1.97 0.00 94 E 7.71 4.88 0.00 2.21 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 2.30 2.34 0.00 95 P 0.00 4.66 0.00 2.14 2.08 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 96 Y 8.59 4.16 0.00 2.78 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 97 P 0.00 4.22 0.00 2.26 2.15 0.00 3.21 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.07 0.00 98 E 8.94 4.02 0.00 2.11 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 2.44 2.55 0.00 99 S 8.27 4.24 0.00 3.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.19 4.59 0.00 2.82 2.58 0.00 0.00 6.69 6.74 0.00 0.00 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 L 8.72 4.25 0.00 1.98 1.98 0.96 0.64 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 0.00 102 Q 8.62 3.94 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 103 F 7.35 3.82 0.00 2.14 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 0.00 104 L 8.26 3.94 0.00 1.94 1.84 0.53 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.45 3.81 0.00 1.81 1.70 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.57 7.81 106 S 7.69 4.53 0.00 3.90 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 0.00 107 N 7.81 4.54 0.00 2.51 2.44 0.00 0.00 7.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.70 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 0.00 109 I 7.00 4.55 2.13 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 1.31 0.74 0.96 0.00 0.00 110 R 8.80 4.33 0.00 1.95 1.62 0.00 3.14 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 111 L 8.11 5.01 0.00 1.36 1.30 0.53 0.22 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 0.00 112 F 9.34 4.25 0.00 3.04 2.58 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 0.00 113 Q 8.11 4.97 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.30 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 114 F 8.21 4.57 0.00 2.97 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 0.00 115 G 8.31 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 0.00 116 I 7.65 4.51 1.82 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 1.30 0.75 0.94 0.00 0.00 117 E 9.03 3.77 0.00 1.90 1.89 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 2.28 2.37 0.00 118 G 8.62 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 0.00 119 N 8.24 5.03 0.00 2.59 2.57 0.00 0.00 7.27 6.68 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 0.00 120 K 8.27 4.20 0.00 1.88 1.74 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.45 7.81 121 E 8.90 3.91 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 122 P 0.00 4.32 0.00 2.29 2.26 0.00 3.77 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 2.17 2.04 0.00 123 F 7.97 4.79 0.00 2.81 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 0.00 124 V 7.92 4.25 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 0.82 0.00 0.00 0.97 0.00 0.00 125 N 7.82 4.48 0.00 2.39 2.50 0.00 0.00 6.81 7.94 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 0.00 126 I 7.91 3.95 0.82 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.26 0.07 0.00 0.00 127 P 0.00 4.43 0.00 2.13 2.02 0.00 3.48 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 128 D 8.73 4.74 0.00 3.02 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 0.00 129 H 8.32 4.20 0.00 3.19 3.28 0.00 5.83 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.02 3.97 0.00 1.76 1.93 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.57 7.81 131 I 7.75 3.80 2.15 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 1.72 1.03 0.90 0.00 0.00 132 R 7.91 4.18 0.00 2.20 1.99 0.00 3.38 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.08 0.00 *134 A 7.99 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.02 4.18 0.00 1.74 1.80 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.89 3.92 0.00 1.87 1.79 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.59 7.81 137 V 7.52 3.61 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 -0.03 0.00 0.00 1.20 0.00 0.00 138 L 7.97 3.96 0.00 1.59 1.67 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.39 4.37 0.00 1.82 1.67 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.14 4.52 0.00 2.58 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 0.00 141 E 8.86 3.69 0.00 1.97 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 2.33 2.27 0.00 142 K 8.21 4.01 0.00 1.89 1.90 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.41 7.81 143 N 8.14 4.55 0.00 2.79 2.76 0.00 0.00 7.03 7.94 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 0.00 144 H 7.70 4.58 0.00 3.25 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.84 0.00 2.32 2.15 0.00 4.03 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 2.24 1.99 0.00 146 V 8.44 5.63 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 0.91 0.00 0.00 0.99 0.00 0.00 147 L 8.54 5.31 0.00 1.96 1.64 1.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.81 4.95 1.86 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 1.28 0.97 0.90 0.00 0.00 149 H 9.92 5.39 0.00 3.55 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 8.69 4.80 0.00 2.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 9.50 4.59 0.00 1.89 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.51 7.81 152 R 7.83 4.33 0.00 1.86 1.91 0.00 3.32 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 153 G 8.06 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.21 0.00 1.51 1.68 0.00 1.60 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 155 H 7.25 4.90 0.00 3.20 3.51 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.92 3.88 0.00 1.85 1.95 0.00 3.31 0.00 0.00 3.47 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 157 T 7.91 4.11 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 158 G 8.33 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 0.00 159 C 8.15 4.25 0.00 3.11 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 0.00 160 L 7.93 3.89 0.00 1.68 1.62 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.37 3.57 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 0.90 0.00 0.00 0.90 0.00 0.00 162 G 8.33 3.57 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 0.00 0.00 0.00 163 C 8.92 3.75 0.00 2.54 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 0.00 0.00 0.00 164 L 7.88 3.75 0.00 1.67 1.72 0.82 0.72 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 0.00 165 R 7.64 3.63 0.00 1.61 0.91 0.00 2.21 0.00 0.00 2.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.00 166 K 7.70 3.82 0.00 1.73 1.91 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 167 L 7.84 3.66 0.00 1.74 1.73 0.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 7.73 4.26 0.00 1.85 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.23 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 169 K 8.62 4.11 0.00 1.97 1.98 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.59 7.81 170 W 7.85 4.84 0.00 3.16 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 C 8.32 4.45 0.00 3.14 3.04 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 0.00 172 L 8.57 3.30 0.00 1.60 1.24 0.98 0.47 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 0.00 173 T 7.80 4.18 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 1.27 0.00 0.00 174 S 7.98 4.22 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.43 4.01 1.59 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 1.71 1.25 0.77 0.00 0.00 176 F 8.70 4.69 0.00 3.11 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 0.00 177 D 8.18 4.42 0.00 2.99 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 0.00 178 E 7.94 4.00 0.00 2.25 2.38 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 2.67 2.59 0.00 179 Y 8.21 4.34 0.00 3.39 3.36 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 0.00 180 Q 8.69 4.19 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.56 2.79 0.00 181 R 8.01 3.51 0.00 1.74 1.87 0.00 2.96 0.00 0.00 2.95 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.40 0.00 182 F 7.57 4.53 0.00 2.90 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 0.00 183 A 7.61 3.85 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 0.00 184 A 8.44 3.43 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 0.00 185 A 8.52 3.57 1.26 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 0.00 186 K 7.96 4.29 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 187 A 8.34 4.64 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 0.00 188 R 8.73 4.34 0.00 1.99 1.84 0.00 3.25 0.00 0.00 3.05 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 189 V 8.19 3.74 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 0.94 0.00 0.00 0.90 0.00 0.00 190 S 7.98 4.11 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 D 7.90 4.33 0.00 2.54 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.40 3.93 0.00 1.59 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.05 0.00 0.00 0.00 0.00 0.00 1.41 1.88 0.00 193 R 7.94 4.05 0.00 1.87 2.06 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 1.64 1.72 0.00 194 F 7.98 3.76 0.00 3.03 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 *196 E 8.12 4.59 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 197 I 7.54 4.38 1.84 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 1.39 0.77 0.92 0.00 0.00 198 F 8.15 4.11 0.00 2.67 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 0.00 199 D 7.78 4.37 0.00 2.50 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 0.00 0.00 0.00 0.00 200 V 7.77 4.32 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 0.88 0.00 0.00 0.92 0.00 0.00 201 S 8.86 3.86 0.00 3.86 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 0.00 202 S 9.10 4.18 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.