NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 D 4.6756 8.2233 120.1983 53.7679 43.2348 174.8758 31 K 3.9047 7.9629 118.3912 58.4478 31.8410 174.1053 32 G 3.9124 9.3664 115.5493 45.8533 0.0000 173.0069 33 D 4.6229 8.1306 120.2194 53.9282 42.4836 175.2508 34 K 4.6577 8.3321 121.1712 55.5555 33.0325 176.0257 35 A 3.9849 8.7684 130.7207 50.9873 18.7397 175.5991 36 P 4.0277 0.0000 0.0000 63.1210 31.8932 175.8978 37 D 4.5966 8.3418 121.5596 53.7533 42.5893 174.6105 38 F 4.9285 7.2782 114.0616 56.1745 40.8952 173.0363 39 A 4.8786 8.9583 120.9420 50.5732 20.9502 175.1639 40 L 5.0810 8.9938 121.1186 52.7026 46.0558 174.6911 41 P 4.6521 0.0000 0.0000 63.1521 32.6635 176.1861 42 G 4.6740 9.0320 112.9062 43.8745 0.0000 172.9993 43 K 4.4133 8.7551 117.2670 58.4669 32.3672 178.1174 44 T 4.6897 8.0669 108.7864 58.7330 69.3715 174.5542 45 G 3.8248 7.6965 110.2046 46.0707 0.0000 171.4770 46 V 4.5174 7.8630 120.3777 61.9010 32.8854 176.3954 47 V 4.3714 9.1027 128.4141 61.4256 33.3011 174.5074 48 K 5.4267 8.3011 126.3741 53.2925 35.1995 177.2339 49 L 3.6738 7.5150 126.2542 57.8322 42.2728 178.9945 50 S 4.0974 7.8415 112.5874 60.6513 62.9240 175.5444 51 D 4.5257 7.6903 119.9457 55.8367 40.9887 176.9595 52 K 4.4242 7.9748 118.7975 55.8483 32.3382 176.1876 53 T 4.0466 7.1053 109.0547 63.4710 68.7455 174.5165 54 G 4.0094 9.0492 113.7495 44.8409 0.0000 173.2695 55 S 4.9741 7.7824 115.2589 56.4149 66.5010 173.6560 56 V 4.1262 8.7700 122.9526 62.8091 32.8908 174.9585 57 V 4.6205 8.9036 127.3045 61.2805 34.5548 173.5201 58 Y 4.8930 8.6033 130.0434 56.1234 39.8486 173.6170 59 L 4.6146 8.9108 130.6200 53.9599 43.5721 174.6611 60 D 5.1509 9.0787 126.2884 52.3304 44.1430 174.3805 61 F 5.3605 9.1591 124.4589 55.5660 41.3339 174.7202 62 W 5.2095 8.8438 119.9557 55.2167 32.3513 173.5355 63 A 3.8986 7.7833 119.2814 50.3055 21.0389 177.6649 64 S 3.6759 8.8695 116.0069 60.9853 63.0411 175.8159 65 W 4.3414 7.3067 114.9148 57.1445 28.5012 175.2978 66 C 4.6220 7.8220 121.8598 58.0063 30.8858 173.9409 67 G 3.8548 9.0188 115.0026 47.7448 0.0000 172.0859 68 P 4.4521 0.0000 0.0000 65.0593 31.3341 178.1443 69 C 4.9685 8.0779 116.3962 61.8922 27.7755 175.9769 70 R 4.0811 8.3686 119.6966 58.9164 29.5072 178.3210 71 Q 4.4589 8.0765 117.4320 58.2004 29.3629 178.0352 72 S 3.0903 8.0601 115.3345 61.1024 62.5863 176.4129 73 F 3.9882 8.3508 120.6543 59.8062 39.2036 174.9780 74 P 4.4636 0.0000 0.0000 65.6689 31.1746 178.5588 75 W 4.4999 7.7665 125.8917 57.4631 30.1038 176.4474 *77 N 4.8655 8.2975 116.1066 53.0694 40.0676 176.5300 78 Q 3.8270 7.5769 115.5575 56.8425 28.6997 177.1567 *80 Q 4.4219 8.2408 118.7057 55.7921 30.7611 177.1245 81 A 3.9545 7.8909 119.1141 55.1102 18.5994 178.6194 82 K 3.7619 8.3217 116.1701 59.1029 32.2234 177.1241 83 Y 4.6981 7.5149 113.3215 57.4514 38.7838 177.0918 84 K 4.2148 8.4431 123.0481 58.9582 32.3834 178.7233 85 A 3.9704 8.1412 119.7546 55.1045 18.2110 178.0387 86 K 4.3245 7.8966 112.7803 56.6602 32.3912 177.2467 87 G 3.9543 8.6326 108.2260 45.7206 0.0000 172.5568 88 F 5.4292 8.2966 120.9473 56.2666 42.0740 174.2113 89 Q 4.2726 8.2237 124.0072 54.1449 32.7279 173.9536 90 V 4.1694 8.9378 124.6653 61.4585 33.5787 174.7533 91 V 4.5560 8.5517 127.0839 61.2138 34.3434 174.1643 92 A 4.9053 8.8342 131.7896 50.3121 20.7093 175.7164 93 V 4.1909 8.9083 124.6799 62.6248 32.7216 174.8681 94 N 3.5110 9.0450 128.2107 52.4805 40.0433 175.0080 95 L 4.7053 7.5368 124.9413 54.4754 43.0485 176.4162 96 D 4.5261 8.2619 119.5249 54.0033 41.2780 176.8915 97 A 4.1086 8.9560 126.5582 54.1214 18.9546 177.6063 98 K 4.5642 7.8537 116.0517 54.5293 33.9747 177.0398 99 T 3.8718 8.6920 115.3728 64.5179 68.9527 176.3849 100 G 3.8808 8.3102 110.0408 48.7205 0.0000 174.1696 101 D 4.4688 8.2720 119.6286 57.1714 41.0762 178.8603 102 A 4.1718 8.1047 118.0940 53.2618 17.8452 179.0229 *104 K 4.2708 8.1396 119.9224 57.8455 34.2928 178.2024 105 F 4.0984 8.5761 120.2455 61.4525 39.1089 177.2914 106 L 4.3478 8.7356 118.4346 57.0018 41.4443 179.0405 107 A 4.1245 8.0419 119.8477 54.5571 18.3853 178.8553 108 Q 4.3525 7.3038 114.2504 56.6399 29.4685 176.2195 109 V 3.9414 7.6482 123.4576 59.7375 31.1310 172.7478 110 P 4.1736 0.0000 0.0000 62.6624 31.5053 176.2255 111 A 3.8260 8.1326 124.1249 50.3470 19.7764 176.0689 112 E 4.2478 7.7659 126.2721 56.1557 29.6140 175.7675 113 F 4.8789 6.3932 111.6418 55.7071 41.6318 174.6985 114 T 4.0679 8.2924 116.0942 64.0100 69.1412 173.8648 115 V 4.9965 8.5072 124.9753 61.0864 34.4568 174.2182 116 A 4.9631 8.8087 127.6629 50.1126 23.0088 174.5122 117 F 4.8245 8.8537 117.6166 55.1998 41.7454 176.2264 118 D 4.7960 8.5856 122.2255 51.9356 41.2514 173.8910 119 P 4.4342 0.0000 0.0000 65.8141 31.8164 178.8316 120 K 4.0230 7.9929 116.9582 57.4076 31.8564 177.4021 121 G 3.8880 8.3984 107.2440 46.9287 0.0000 176.0539 122 Q 4.0246 8.5475 120.4162 58.8767 28.7730 178.4009 123 T 4.0561 9.4541 112.2709 64.3386 68.8509 174.8235 124 P 3.7542 0.0000 0.0000 65.2245 30.7758 178.3760 125 R 3.8575 7.6797 117.5568 59.2240 29.7765 178.4747 126 L 4.0170 7.6143 117.5156 57.6966 41.7654 178.2098 127 Y 4.1582 8.5069 114.0747 56.9715 38.2368 175.5296 128 G 3.9285 7.7341 107.7493 46.1985 0.0000 174.5814 129 V 3.6702 7.9155 119.7504 62.7992 31.7646 175.6186 130 K 4.6237 8.4966 124.4485 56.0751 34.0735 176.3933 131 G 3.7810 7.2368 107.5493 44.3797 0.0000 170.4179 *133 P 4.4016 0.0000 0.0000 63.1738 33.4957 175.7904 134 T 5.2456 8.3732 114.4363 61.8760 72.6367 173.5571 135 S 5.0949 9.1457 119.4502 56.5503 67.2849 172.7319 136 F 5.2305 8.9603 119.0012 55.7261 42.7841 173.5864 137 L 4.9994 8.7042 125.6394 53.9666 43.6888 175.0954 138 I 5.1655 9.1505 127.3013 59.3463 40.5590 175.2889 139 D 5.0109 9.0530 126.5576 52.7170 40.8186 177.5449 140 R 4.2620 8.7056 116.5940 58.3210 30.1182 178.0184 141 N 4.7914 8.9878 114.4949 52.6167 38.5876 175.1629 142 G 3.9251 8.4137 106.5872 46.5041 0.0000 173.6677 143 K 4.9976 7.8703 117.7296 53.5891 35.0377 175.8684 144 V 4.0242 8.4459 122.8910 63.5948 31.8969 176.3158 145 L 4.7810 8.6452 127.0361 55.5469 44.2623 176.3777 146 L 4.5083 7.4096 115.7949 55.1368 43.2620 173.2041 147 Q 4.6233 8.8252 120.9614 54.4963 31.6828 173.6661 148 H 4.8340 9.1815 126.8462 54.3851 32.4189 172.3313 149 V 4.4084 8.3389 125.9900 62.4442 32.8754 176.5036 150 G 3.9349 11.0909 115.7107 45.5366 0.0000 172.5758 151 F 4.6613 8.1194 119.1878 57.3562 41.4825 173.1388 152 R 4.5409 9.0799 124.9302 52.5849 32.2017 174.2512 153 P 3.6475 0.0000 0.0000 66.0393 31.0562 178.4172 154 A 4.0333 7.6329 117.1465 54.2854 18.6227 178.6396 155 D 4.2565 8.5263 119.0431 56.4906 40.8627 178.5038 156 K 3.0962 6.9312 118.3678 59.4626 32.0861 178.5506 157 E 3.9183 8.0292 118.1310 59.3374 29.6647 178.1047 158 A 3.9592 7.9703 120.1161 55.4653 18.3345 179.2238 159 L 3.9892 8.4398 116.9548 58.1309 41.8483 179.5767 160 E 4.0968 8.8527 119.4268 59.4044 29.5138 178.9562 161 Q 4.0133 8.2761 118.2155 58.9889 28.7953 178.5681 162 Q 4.0502 8.0934 119.0984 58.9023 28.4848 179.0544 163 I 3.5392 7.7697 120.3173 64.1712 37.4231 177.7778 164 L 3.6308 7.9972 121.2111 58.0437 41.6386 178.8105 165 A 3.9458 8.2687 119.4306 55.1809 18.4305 179.2426 166 A 4.1000 7.8645 117.5004 53.9131 18.4818 177.5492 167 L 4.2575 7.5743 121.9301 54.8130 42.0693 176.2430 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 30 D 8.22 4.68 0.00 2.76 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 31 K 7.96 3.90 0.00 1.91 1.81 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.33 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.54 7.81 32 G 9.37 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 0.00 0.00 0.00 33 D 8.13 4.62 0.00 2.75 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 34 K 8.33 4.66 0.00 1.72 1.66 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.45 7.81 35 A 8.77 3.98 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 36 P 0.00 4.03 0.00 1.69 1.85 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.73 0.00 37 D 8.34 4.60 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.28 4.93 0.00 3.17 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 39 A 8.96 4.88 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 40 L 8.99 5.08 0.00 1.70 1.79 0.61 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 41 P 0.00 4.65 0.00 2.21 2.25 0.00 3.89 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.05 0.00 42 G 9.03 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.76 4.41 0.00 1.85 2.04 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.62 1.81 7.81 44 T 8.07 4.69 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 1.25 0.00 0.00 45 G 7.70 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 0.00 0.00 0.00 46 V 7.86 4.52 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 0.90 0.00 0.00 0.97 0.00 0.00 47 V 9.10 4.37 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 1.03 0.00 0.00 1.01 0.00 0.00 48 K 8.30 5.43 0.00 1.82 1.50 0.00 1.97 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.22 7.81 49 L 7.52 3.67 0.00 0.64 1.27 0.87 1.01 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 50 S 7.84 4.10 0.00 4.01 4.13 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 0.00 0.00 0.00 51 D 7.69 4.53 0.00 2.80 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 52 K 7.97 4.42 0.00 1.95 1.74 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.34 7.81 53 T 7.11 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 54 G 9.05 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 0.00 0.00 0.00 55 S 7.78 4.97 0.00 3.90 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 56 V 8.77 4.13 2.33 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 1.20 0.00 0.00 1.00 0.00 0.00 57 V 8.90 4.62 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 0.83 0.00 0.00 0.88 0.00 0.00 58 Y 8.60 4.89 0.00 3.26 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 59 L 8.91 4.61 0.00 1.68 1.47 0.74 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.08 5.15 0.00 2.67 2.30 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 61 F 9.16 5.36 0.00 3.13 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 62 W 8.84 5.21 0.00 3.40 3.37 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 63 A 7.78 3.90 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.87 3.68 0.00 4.06 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.31 4.34 0.00 3.48 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 66 C 7.82 4.62 0.00 2.55 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 67 G 9.02 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 0.00 0.00 0.00 68 P 0.00 4.45 0.00 2.32 2.54 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 69 C 8.08 4.97 0.00 3.14 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 70 R 8.37 4.08 0.00 2.04 2.06 0.00 3.09 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 1.86 1.89 0.00 71 Q 8.08 4.46 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 72 S 8.06 3.09 0.00 3.42 3.27 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 73 F 8.35 3.99 0.00 3.14 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 74 P 0.00 4.46 0.00 2.32 2.40 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.08 0.00 75 W 7.77 4.50 0.00 3.48 3.56 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 *77 N 8.30 4.87 0.00 3.13 3.01 0.00 0.00 6.65 7.36 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 78 Q 7.58 3.83 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.39 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 *80 Q 8.24 4.42 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 81 A 7.89 3.95 1.30 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 82 K 8.32 3.76 0.00 1.47 1.21 0.00 1.47 0.00 0.00 1.15 0.00 0.00 2.64 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.34 0.99 7.81 83 Y 7.51 4.70 0.00 2.71 2.72 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 84 K 8.44 4.21 0.00 2.03 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.39 7.81 85 A 8.14 3.97 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 86 K 7.90 4.32 0.00 1.95 1.91 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.45 7.81 87 G 8.63 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 88 F 8.30 5.43 0.00 3.12 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 89 Q 8.22 4.27 0.00 1.75 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 90 V 8.94 4.17 1.70 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 0.10 0.00 0.00 0.51 0.00 0.00 91 V 8.55 4.56 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 0.96 0.00 0.00 0.88 0.00 0.00 92 A 8.83 4.91 1.08 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 0.00 0.00 93 V 8.91 4.19 1.50 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 0.74 0.00 0.00 0.39 0.00 0.00 94 N 9.04 3.51 0.00 1.76 2.18 0.00 0.00 6.56 7.27 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 95 L 7.54 4.71 0.00 1.34 1.63 0.94 1.28 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 96 D 8.26 4.53 0.00 2.73 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 97 A 8.96 4.11 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 98 K 7.85 4.56 0.00 2.05 1.75 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.42 7.81 99 T 8.69 3.87 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 1.08 0.00 0.00 100 G 8.31 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 0.00 101 D 8.27 4.47 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.10 4.17 1.60 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 *104 K 8.14 4.27 0.00 2.17 1.98 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.67 7.81 105 F 8.58 4.10 0.00 3.34 3.43 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 0.00 106 L 8.74 4.35 0.00 1.83 1.85 1.33 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.04 4.12 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 0.00 108 Q 7.30 4.35 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 109 V 7.65 3.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 -0.10 0.00 0.00 110 P 0.00 4.17 0.00 2.15 1.99 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 111 A 8.13 3.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.77 4.25 0.00 1.90 1.88 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 2.17 2.15 0.00 113 F 6.39 4.88 0.00 2.98 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 0.00 114 T 8.29 4.07 4.41 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 1.25 0.00 0.00 115 V 8.51 5.00 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 0.74 0.00 0.00 1.01 0.00 0.00 116 A 8.81 4.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.85 4.82 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.59 4.80 0.00 2.64 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.43 0.00 2.23 2.31 0.00 3.88 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 2.02 2.03 0.00 120 K 7.99 4.02 0.00 1.79 1.93 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.45 7.81 121 G 8.40 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 0.00 0.00 0.00 122 Q 8.55 4.02 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 123 T 9.45 4.06 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 124 P 0.00 3.75 0.00 2.11 2.00 0.00 3.76 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 2.20 1.98 0.00 125 R 7.68 3.86 0.00 2.05 2.18 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 126 L 7.61 4.02 0.00 2.02 1.68 1.04 0.67 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 0.00 127 Y 8.51 4.16 0.00 2.82 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 0.00 128 G 7.73 3.93 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 0.00 0.00 0.00 129 V 7.92 3.67 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 0.74 0.00 0.00 0.32 0.00 0.00 130 K 8.50 4.62 0.00 1.74 1.78 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.67 7.81 131 G 7.24 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 P 0.00 4.40 0.00 2.26 2.35 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 134 T 8.37 5.25 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 0.94 0.00 0.00 135 S 9.15 5.09 0.00 2.90 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 0.00 136 F 8.96 5.23 0.00 2.86 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.70 5.00 0.00 2.02 1.67 1.31 0.74 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 0.00 138 I 9.15 5.17 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.97 0.00 0.00 139 D 9.05 5.01 0.00 2.81 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 0.00 140 R 8.71 4.26 0.00 1.91 2.06 0.00 3.40 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 141 N 8.99 4.79 0.00 2.82 2.82 0.00 0.00 6.97 7.59 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 0.00 142 G 8.41 3.93 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 0.00 0.00 0.00 143 K 7.87 5.00 0.00 2.14 1.77 0.00 1.68 0.00 0.00 2.00 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.52 7.81 144 V 8.45 4.02 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 1.18 0.00 0.00 0.98 0.00 0.00 145 L 8.65 4.78 0.00 1.75 1.73 1.00 1.17 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 0.00 146 L 7.41 4.51 0.00 1.76 1.77 1.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.83 4.62 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.75 0.00 0.00 0.00 0.00 0.00 1.88 1.16 0.00 148 H 9.18 4.83 0.00 3.23 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.34 4.41 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 0.81 0.00 0.00 0.86 0.00 0.00 150 G 11.09 3.93 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 0.00 0.00 0.00 151 F 8.12 4.66 0.00 3.00 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 0.00 152 R 9.08 4.54 0.00 1.79 1.85 0.00 2.80 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.40 0.00 153 P 0.00 3.65 0.00 2.07 2.10 0.00 3.48 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 2.08 2.13 0.00 154 A 7.63 4.03 1.20 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 0.00 155 D 8.53 4.26 0.00 2.03 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 0.00 0.00 0.00 0.00 156 K 6.93 3.10 0.00 1.73 1.77 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.77 7.81 157 E 8.03 3.92 0.00 2.02 1.91 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 2.49 2.40 0.00 158 A 7.97 3.96 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 0.00 159 L 8.44 3.99 0.00 1.79 2.04 0.77 0.88 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 0.00 160 E 8.85 4.10 0.00 2.43 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 0.00 2.45 2.54 0.00 161 Q 8.28 4.01 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 162 Q 8.09 4.05 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 163 I 7.77 3.54 1.62 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 -0.36 0.00 0.00 164 L 8.00 3.63 0.00 1.65 1.74 0.94 1.03 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 0.00 165 A 8.27 3.95 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 0.00 166 A 7.86 4.10 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 0.00 167 L 7.57 4.26 0.00 1.59 1.51 0.67 0.79 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 * Residues marked with a * may have inaccurate shift predictions.