NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4723 8.3349 116.7909 58.4357 64.4645 172.2966 7 L 4.4336 8.6686 121.8645 53.0587 43.1600 176.2281 8 R 4.2021 8.1570 125.5460 54.9723 29.5276 175.5799 9 S 4.4909 7.6060 114.7861 57.6248 64.7823 174.9548 10 V 4.1650 8.0643 113.9719 59.8507 32.7469 175.6684 *12 T 4.3099 8.1939 121.1515 63.2724 70.4172 172.6792 13 L 5.0376 8.8310 128.8137 53.4141 44.2120 175.1197 14 F 5.0556 9.4514 127.1913 57.1305 40.1914 175.1856 15 S 4.9970 9.0780 117.3850 57.4149 67.1822 172.3320 16 N 5.5467 8.5945 118.7035 51.4671 40.9992 175.4021 17 K 4.1238 9.9046 125.4726 59.0912 32.8371 177.2833 18 D 4.7251 8.4399 118.2199 54.1363 41.6758 176.0491 19 D 4.6551 7.9422 120.7192 53.3074 42.6676 176.7387 20 I 3.6493 8.1657 126.5322 64.3103 37.9158 177.5442 21 Y 4.3291 7.6018 117.2992 61.1969 37.7357 177.9413 22 C 4.2539 8.5515 117.8858 62.8876 28.2147 175.5543 23 H 4.1474 8.2575 119.9016 59.3080 29.5767 177.0113 24 Q 3.9452 8.1573 119.9654 59.2957 28.5748 179.5948 25 V 3.6213 7.5963 118.7048 65.9836 31.6860 178.2018 26 K 3.9849 8.2760 118.3270 59.3704 31.7487 179.4385 27 I 3.7219 7.8112 120.2805 64.3164 37.0316 178.6453 28 V 3.6598 7.7258 118.6429 65.9909 31.3888 177.9124 29 L 3.8840 8.3124 118.9761 57.8659 41.4879 179.4811 30 A 4.0699 7.9983 120.2773 54.9448 18.1753 179.3382 31 E 3.9277 8.3446 116.7050 59.6613 29.7360 179.3582 32 K 4.2367 8.0027 115.7445 56.3807 32.5490 177.4411 33 G 3.7617 7.8008 107.7288 46.3460 0.0000 172.8524 34 V 4.1292 7.4803 119.8755 61.2909 32.2751 175.5219 35 L 4.5315 8.7473 129.2293 54.8202 42.2885 175.8059 36 Y 4.8580 7.8535 119.3945 55.9099 41.2088 173.2754 37 E 4.2208 8.7202 121.6507 55.1940 31.3017 174.3361 38 N 5.0428 8.6193 126.1463 53.1376 40.1036 173.8370 39 A 4.5278 8.9533 129.3151 49.8109 20.7929 175.0251 40 E 4.6209 8.7189 122.9726 57.2397 30.5583 176.5345 41 V 4.6193 8.5744 118.8909 59.6080 35.8007 174.6175 42 D 4.6896 8.6260 123.8595 52.9197 41.9576 177.2507 43 L 4.0879 8.6337 126.8127 57.6999 41.8208 178.1600 44 Q 4.2332 8.3268 115.6194 56.9484 29.5627 175.9477 45 A 4.7024 7.6279 119.8569 50.3350 18.8963 175.7773 46 L 4.2128 7.6170 121.6293 53.0470 42.6875 176.1649 47 P 4.5282 0.0000 0.0000 62.3813 32.1909 177.3689 48 E 4.0230 8.7513 120.3574 59.4412 29.7732 178.3399 49 D 4.4558 8.1214 118.2410 56.1125 39.9340 178.6340 50 L 3.2018 7.3395 118.8035 54.9974 41.3008 178.0458 *52 E 4.1869 8.2702 119.0586 55.4425 31.1522 176.5610 53 L 4.1828 7.3760 117.0744 56.0975 42.3280 176.0199 54 N 4.7756 8.5956 117.5442 50.7180 39.6991 172.6795 55 P 4.1602 0.0000 0.0000 64.8342 31.7086 177.5161 56 Y 3.9102 7.5749 116.0161 58.5281 38.0404 175.5305 57 G 3.8323 7.7366 108.2542 46.8985 0.0000 173.3556 58 T 4.6426 7.5846 106.8950 59.5068 71.5995 173.7137 59 V 4.7163 7.8593 114.5157 58.5520 35.1794 173.9093 60 P 4.8817 0.0000 0.0000 63.3754 32.8838 175.1339 61 T 5.1219 8.8686 118.3730 61.8695 72.1039 172.3975 62 L 5.1694 9.1801 129.1705 53.3094 44.4789 175.0495 63 V 4.8903 8.9653 126.3170 61.1833 34.0985 174.2889 64 D 4.8117 9.0881 127.5229 52.8883 44.0808 177.6827 65 R 3.8710 8.8758 128.8033 57.5617 29.2818 178.6198 66 D 4.5531 9.1975 127.6787 55.2017 40.6014 176.5831 67 L 4.0752 8.2661 124.0841 54.5036 42.5716 175.1230 68 V 4.8062 8.3166 125.5782 61.2141 33.5359 174.3320 69 L 4.7976 9.2248 128.3440 52.9022 44.9686 175.6080 70 F 5.2348 7.0644 115.7257 54.8196 42.0307 169.1168 71 N 4.3653 9.1485 124.9787 52.8597 39.3053 174.8214 72 S 4.1813 8.6982 120.5397 61.2637 63.7151 175.5697 73 R 4.1507 8.2172 120.2929 59.3075 30.3265 177.5145 74 I 3.8591 8.3196 118.7191 64.6053 37.2939 178.7827 75 I 3.9904 7.9454 117.2791 62.6200 36.7540 177.4900 *77 E 4.2611 8.2222 122.5049 56.6512 31.5401 177.3233 78 Y 4.1429 8.3117 119.2901 60.9701 38.6163 178.5481 79 L 3.8695 8.2238 119.7241 57.7537 41.5338 178.9506 80 D 4.3443 7.9918 116.5262 57.3249 41.2721 177.7493 81 E 4.0081 8.0704 118.4582 59.3427 29.5881 178.9569 82 R 3.8059 7.8037 118.0187 57.3562 29.9056 176.1690 83 F 4.7716 7.8677 118.9499 54.5150 38.9860 173.8533 84 P 4.5452 0.0000 0.0000 64.4750 31.6524 176.6310 85 H 4.9848 7.3041 115.6881 53.0385 30.4597 172.8044 86 P 4.6023 0.0000 0.0000 61.3475 32.2147 174.1871 87 P 4.4981 0.0000 0.0000 63.0772 31.9296 176.6958 88 L 4.5316 8.8978 124.1787 54.5699 42.1817 176.0780 *90 Q 4.4420 7.8026 116.8711 56.0295 30.0579 175.3134 91 V 3.7357 8.2027 116.7224 64.9981 32.2276 176.3083 92 Y 4.5564 7.5142 116.9791 55.9906 40.4644 174.7942 93 P 4.3060 0.0000 0.0000 65.9005 31.3980 179.2003 94 V 3.5617 7.7891 117.6174 65.9515 31.5757 177.9447 95 S 4.1254 8.1146 114.4160 61.7736 62.7051 176.7594 96 R 3.9035 8.0784 120.4584 59.1692 29.7506 179.0643 97 A 3.9604 8.0464 120.5683 55.0514 18.3539 179.7856 98 K 3.8647 8.2703 117.2557 59.7441 31.8833 179.3130 99 D 4.2983 8.0086 118.1071 57.3711 40.7935 178.6866 100 R 3.9358 7.8287 117.6265 59.1410 30.3610 178.5972 101 L 4.0510 8.0244 120.1984 57.7330 41.9377 179.0310 102 L 3.7950 7.7244 116.8456 55.9410 41.8076 178.0610 *104 L 4.0608 7.8366 120.6470 54.6936 43.9265 179.0912 105 R 3.7655 7.8330 117.4665 58.9610 29.7641 178.8759 106 I 2.9904 7.5086 119.9386 64.2961 36.7225 177.9843 107 E 3.2585 7.7359 119.3009 59.0927 29.2464 178.5279 108 Q 4.0630 8.0159 118.7094 59.1029 29.2804 177.2283 109 D 4.6020 8.1892 118.7285 56.5727 41.5505 178.2777 110 W 4.9473 8.3322 119.0594 59.4139 29.5796 178.2372 111 Y 4.3254 7.9670 117.0937 61.0181 37.3489 177.2728 112 P 4.5209 0.0000 0.0000 65.6963 31.4101 178.8298 113 T 3.9528 8.0647 114.4051 66.4412 68.3162 176.1697 114 L 3.9168 8.1391 122.0679 58.1963 42.1141 178.8960 115 A 4.1489 8.2351 120.7157 54.9948 18.2208 179.4342 116 K 3.8631 8.2815 117.9251 59.7405 32.0992 178.9327 117 A 4.0373 8.1032 119.6605 54.5133 18.2656 178.5846 118 E 4.3411 7.6875 116.1307 57.3030 30.3824 176.6579 119 N 4.8654 8.1540 112.8121 52.6791 39.9216 174.7330 120 G 3.9452 8.1601 108.8834 44.3456 0.0000 173.9656 121 T 4.1965 8.8422 110.6840 61.1341 70.7778 175.1831 122 E 4.0037 8.6411 120.7688 59.4491 29.4464 179.7952 123 K 4.0559 7.9904 118.3920 59.6861 32.7130 179.0114 124 E 3.9290 7.8316 118.3877 59.2270 29.4704 179.0051 125 K 4.1378 8.3406 118.7656 60.2475 32.2127 179.3711 126 T 3.9224 7.8375 115.4275 66.6840 68.3511 176.7557 127 S 4.0635 8.1563 114.8254 61.1186 62.3693 175.9935 128 A 3.9993 8.8856 124.6879 55.2097 18.1190 179.4705 129 L 3.8639 8.3367 117.8491 57.9286 41.6170 179.8088 130 K 3.8824 8.0034 119.4428 59.3474 32.1175 178.6354 131 Q 3.9493 8.1444 119.8313 59.2443 28.9461 178.2708 132 L 3.8282 8.1520 120.2726 57.4596 41.6422 179.2399 133 K 3.9086 8.1308 119.6457 59.6561 32.1120 178.4804 134 E 3.9952 8.4048 118.8264 59.5716 29.3388 179.1762 135 E 4.0482 8.2483 118.3885 59.5718 29.3414 179.5661 136 L 3.8979 7.8285 117.7983 57.6745 41.9718 179.1398 137 L 4.2792 8.2584 119.0991 57.9240 41.3854 179.6422 138 G 3.8720 8.4287 105.0329 47.5174 0.0000 174.6014 139 I 4.2349 7.6363 112.4809 60.6504 37.9605 177.0693 140 A 4.1822 7.9617 124.7187 55.6799 18.2543 178.1988 141 P 4.3283 0.0000 0.0000 65.6028 31.0471 178.5015 142 I 3.4842 7.2153 118.0951 64.6114 36.7281 177.6038 143 F 4.4278 7.9623 117.5345 59.2280 38.7327 177.4744 144 Q 4.2207 7.9529 116.5013 57.9671 28.3536 177.2509 145 Q 4.3507 7.4496 117.1560 56.2466 29.8553 174.4212 *147 P 4.3834 0.0000 0.0000 62.1761 33.1421 175.7150 148 Y 5.0689 7.6630 115.0968 56.0578 40.0888 175.2389 149 F 4.0070 9.5967 120.4256 58.8929 39.1959 174.6172 *151 N 4.6372 7.9663 115.0077 52.5541 39.5304 175.5063 152 E 4.2111 8.8526 119.8288 58.4885 29.9897 177.1232 153 E 4.8111 7.8142 115.7282 53.6988 32.9109 175.3185 154 F 3.8121 7.9026 123.1059 58.3625 40.2574 174.8846 155 G 3.9724 8.0663 114.5834 43.8070 0.0000 173.0276 156 L 4.0072 8.5297 118.6761 57.9103 41.3621 179.8208 157 V 3.5605 7.7235 117.7040 66.2051 31.4900 177.7104 158 D 4.6983 7.8224 119.3733 56.9483 40.3776 178.3485 159 C 4.5514 7.5622 116.2693 62.1347 26.8328 174.9739 160 Y 4.4286 7.9004 119.5655 59.5539 38.0701 177.8437 161 V 3.8893 8.2159 119.0092 65.9895 31.6652 177.8059 162 A 4.3537 8.7753 121.0186 55.1509 18.2992 177.9005 163 P 4.4459 0.0000 0.0000 65.5158 31.3734 178.6947 164 L 3.9877 7.7335 117.5673 58.1497 42.0903 178.9723 165 L 4.2722 8.4258 119.0674 57.4666 41.5493 179.1715 166 W 4.3329 9.0346 128.6573 60.6911 30.4658 178.2389 167 K 3.9688 8.1105 116.9618 59.2822 31.7803 179.1149 168 L 4.0944 8.1590 119.2739 57.6527 41.5984 179.0920 169 K 3.7828 8.4840 120.0002 60.1275 31.8629 177.6465 170 H 4.2787 7.5073 111.8609 56.4474 28.8524 176.2935 171 L 4.4698 7.6034 120.3760 54.2548 42.0416 177.1174 172 G 3.8843 7.8210 108.0956 44.6342 0.0000 174.4915 173 V 3.4171 7.3136 119.3872 63.0662 31.8765 174.8977 174 E 4.4986 8.0872 125.2115 54.5316 32.7168 174.8481 175 F 4.5568 8.8816 123.1743 56.5461 39.8274 175.2339 176 T 4.6866 8.1588 114.8011 60.7303 72.3844 175.2138 177 G 3.7739 8.5343 108.7118 44.9458 0.0000 172.0141 178 T 4.1597 8.2799 117.4460 65.0667 68.5814 174.8889 179 G 4.0739 9.0705 115.6867 45.2876 0.0000 174.9798 180 S 4.1879 8.1455 115.2683 60.8797 63.1085 176.6764 181 K 3.8971 8.0183 121.8141 59.3475 31.8864 178.8550 182 A 3.8593 7.8656 120.4958 55.1296 18.1267 179.6134 183 I 3.2094 6.9922 117.0493 64.2514 37.1642 178.5246 184 K 3.9983 7.6832 118.0019 59.2390 32.1382 178.9262 185 A 4.0572 7.8728 121.0341 55.0789 17.7314 180.1086 186 Y 3.5609 7.4091 116.0536 57.9462 38.5626 177.4819 *188 E 4.1135 8.1751 120.7087 55.5828 31.5277 177.6178 189 R 3.7811 7.4996 117.7620 59.1857 30.6761 177.8468 190 V 3.8646 7.4833 111.0610 63.7730 32.0126 178.5777 191 F 3.4085 7.4089 117.1575 60.0584 38.7844 176.0293 192 T 4.3810 7.3795 108.4796 61.7415 69.3282 175.8475 193 R 4.0740 7.6857 122.3959 56.0719 31.9959 176.8450 194 D 4.4086 8.7457 122.3676 57.8575 40.8619 179.7299 195 S 4.1062 7.8690 114.0170 61.2802 63.2868 176.1685 196 F 3.8500 7.9696 125.1830 60.2161 39.0282 176.5857 197 L 3.9481 7.8521 117.4172 58.3198 41.6847 179.3950 198 Q 4.0833 8.1567 117.7584 58.9375 28.5913 179.1614 199 S 4.0999 7.9879 115.2100 60.3924 62.7428 175.9600 200 V 4.0326 6.6748 113.0673 60.6177 31.6496 176.0128 201 G 3.6789 7.4297 115.4677 45.8509 0.0000 173.9933 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 6 S 8.33 4.47 0.00 3.85 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 7 L 8.67 4.43 0.00 1.52 1.53 0.75 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.16 4.20 0.00 1.81 1.90 0.00 3.20 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 9 S 7.61 4.49 0.00 4.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.06 4.16 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 0.80 0.00 0.00 0.98 0.00 0.00 *12 T 8.19 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 13 L 8.83 5.04 0.00 1.62 1.63 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 F 9.45 5.06 0.00 3.04 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 15 S 9.08 5.00 0.00 3.93 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 16 N 8.59 5.55 0.00 2.92 2.72 0.00 0.00 6.62 6.04 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 17 K 9.90 4.12 0.00 1.85 1.93 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.42 7.81 18 D 8.44 4.73 0.00 2.79 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 19 D 7.94 4.66 0.00 2.88 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 20 I 8.17 3.65 1.57 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 0.05 0.00 0.00 21 Y 7.60 4.33 0.00 3.34 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 22 C 8.55 4.25 0.00 3.30 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.26 4.15 0.00 3.17 3.41 0.00 5.63 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 24 Q 8.16 3.95 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 25 V 7.60 3.62 2.21 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 1.02 0.00 0.00 1.00 0.00 0.00 26 K 8.28 3.98 0.00 1.83 1.86 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.67 7.81 27 I 7.81 3.72 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 1.16 0.00 0.00 28 V 7.73 3.66 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.05 0.00 0.00 29 L 8.31 3.88 0.00 1.64 1.55 0.08 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.00 4.07 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 31 E 8.34 3.93 0.00 2.17 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 2.59 2.78 0.00 32 K 8.00 4.24 0.00 1.58 1.69 0.00 2.06 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.65 7.81 33 G 7.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.48 4.13 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 0.67 0.00 0.00 -0.03 0.00 0.00 35 L 8.75 4.53 0.00 1.60 1.53 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.85 4.86 0.00 2.91 2.84 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 37 E 8.72 4.22 0.00 2.02 1.83 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 2.23 2.21 0.00 38 N 8.62 5.04 0.00 2.71 2.66 0.00 0.00 6.98 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 39 A 8.95 4.53 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.72 4.62 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 41 V 8.57 4.62 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 1.01 0.00 0.00 1.01 0.00 0.00 42 D 8.63 4.69 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.63 4.09 0.00 1.70 1.75 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.33 4.23 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 45 A 7.63 4.70 1.21 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 0.00 0.00 46 L 7.62 4.21 0.00 1.63 1.58 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 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0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.72 1.69 7.81 126 T 7.84 3.92 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 1.19 0.00 0.00 127 S 8.16 4.06 0.00 3.88 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 0.00 128 A 8.89 4.00 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 0.00 129 L 8.34 3.86 0.00 1.60 1.67 0.87 0.88 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 0.00 130 K 8.00 3.88 0.00 1.92 1.79 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 131 Q 8.14 3.95 0.00 2.34 2.21 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 2.40 2.44 0.00 132 L 8.15 3.83 0.00 1.66 1.60 0.92 1.03 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 0.00 133 K 8.13 3.91 0.00 1.83 1.92 0.00 1.40 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.38 1.17 7.81 134 E 8.40 4.00 0.00 2.21 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 2.35 2.51 0.00 135 E 8.25 4.05 0.00 2.11 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 2.58 2.47 0.00 136 L 7.83 3.90 0.00 1.77 1.62 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.26 4.28 0.00 2.01 1.79 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.43 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 0.00 139 I 7.64 4.23 1.90 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.09 1.09 0.00 0.00 140 A 7.96 4.18 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 0.00 141 P 0.00 4.33 0.00 2.11 2.10 0.00 3.73 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 2.11 2.19 0.00 142 I 7.22 3.48 1.39 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 0.84 -0.11 -0.52 0.00 0.00 143 F 7.96 4.43 0.00 3.04 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 0.00 144 Q 7.95 4.22 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 145 Q 7.45 4.35 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 *147 P 0.00 4.38 0.00 1.92 2.22 0.00 3.84 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 2.21 2.07 0.00 148 Y 7.66 5.07 0.00 3.40 3.63 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 0.00 149 F 9.60 4.01 0.00 3.12 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 *151 N 7.97 4.64 0.00 2.95 2.96 0.00 0.00 7.04 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.85 4.21 0.00 2.04 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 2.36 2.32 0.00 153 E 7.81 4.81 0.00 1.92 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 2.25 2.23 0.00 154 F 7.90 3.81 0.00 2.01 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 0.00 155 G 8.07 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 0.00 156 L 8.53 4.01 0.00 1.70 1.85 0.96 1.30 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 0.00 157 V 7.72 3.56 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 1.10 0.00 0.00 0.93 0.00 0.00 158 D 7.82 4.70 0.00 2.04 2.84 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 0.00 159 C 7.56 4.55 0.00 3.16 3.05 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 0.00 160 Y 7.90 4.43 0.00 3.16 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 0.00 161 V 8.22 3.89 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 1.19 0.00 0.00 0.31 0.00 0.00 162 A 8.78 4.35 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.22 2.10 0.00 3.88 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 2.30 2.03 0.00 164 L 7.73 3.99 0.00 1.84 2.11 1.21 0.68 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 0.00 165 L 8.43 4.27 0.00 2.16 2.04 1.18 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 166 W 9.03 4.33 0.00 3.63 3.50 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 0.00 167 K 8.11 3.97 0.00 1.95 1.85 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.73 7.81 168 L 8.16 4.09 0.00 1.99 1.74 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.48 3.78 0.00 1.99 1.75 0.00 1.88 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.17 1.49 7.81 170 H 7.51 4.28 0.00 2.84 3.14 0.00 5.89 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 7.60 4.47 0.00 1.70 1.63 0.89 0.77 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 0.00 172 G 7.82 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 0.00 173 V 7.31 3.42 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 0.06 0.00 0.00 0.78 0.00 0.00 174 E 8.09 4.50 0.00 1.84 1.75 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 2.15 2.40 0.00 175 F 8.88 4.56 0.00 3.02 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 0.00 176 T 8.16 4.69 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 1.22 0.00 0.00 177 G 8.53 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.28 4.16 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 1.23 0.00 0.00 179 G 9.07 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 0.00 0.00 0.00 180 S 8.15 4.19 0.00 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 K 8.02 3.90 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 182 A 7.87 3.86 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 0.00 183 I 6.99 3.21 1.36 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.43 0.08 0.00 0.00 184 K 7.68 4.00 0.00 1.68 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.51 1.55 7.81 185 A 7.87 4.06 1.25 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 0.00 0.00 186 Y 7.41 3.56 0.00 2.06 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 *188 E 8.18 4.11 0.00 1.94 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 2.24 2.21 0.00 189 R 7.50 3.78 0.00 1.73 1.73 0.00 2.81 0.00 0.00 2.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 190 V 7.48 3.86 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 0.57 0.00 0.00 0.22 0.00 0.00 191 F 7.41 3.41 0.00 2.83 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 0.00 192 T 7.38 4.38 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 193 R 7.69 4.07 0.00 1.95 1.69 0.00 2.54 0.00 0.00 2.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.00 194 D 8.75 4.41 0.00 2.64 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 0.00 195 S 7.87 4.11 0.00 4.21 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 0.00 196 F 7.97 3.85 0.00 3.25 3.33 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 0.00 197 L 7.85 3.95 0.00 1.83 1.73 0.99 0.94 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 0.00 198 Q 8.16 4.08 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 199 S 7.99 4.10 0.00 3.89 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 0.00 200 V 6.67 4.03 1.83 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 -0.64 0.00 0.00 0.62 0.00 0.00 201 G 7.43 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.