NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7694 8.2127 109.7396 45.7227 0.0000 175.0231 *37 D 4.6994 8.6034 124.5065 53.6787 42.4679 176.7296 38 S 4.1604 8.1149 115.5713 61.4819 62.7981 176.0873 39 A 4.0572 8.0444 122.9614 55.2343 18.0914 179.4956 40 S 4.0486 8.0192 111.0945 61.7051 62.5598 176.2888 41 Q 4.0363 7.9054 120.0794 58.8278 28.4432 178.5210 42 A 4.0284 8.4880 122.3394 55.0951 18.4947 179.3072 43 E 3.9576 8.4717 117.9631 59.5360 29.7506 178.8248 44 Q 3.9928 8.2892 119.6494 58.9831 29.0672 177.9810 45 F 4.2977 8.3336 123.0999 60.8982 39.4581 177.1932 46 L 3.7583 7.9690 118.4084 57.4124 41.2826 179.8231 47 K 3.7457 7.8114 118.0853 59.4512 31.8816 179.1595 48 L 3.7515 7.5054 117.8750 57.7306 41.6830 179.2340 49 V 3.4026 7.1352 115.0426 62.3648 32.3715 175.0300 50 H 3.9432 8.1259 113.7670 56.4927 26.4204 176.5075 51 A 4.0268 7.7092 123.2466 54.4843 18.4604 180.3434 52 D 3.3700 7.0399 115.3742 55.3897 39.5844 177.8292 53 K 4.2438 7.5522 117.4239 56.6447 32.0121 178.4640 54 L 4.0514 7.3892 120.3490 57.6621 41.7570 178.7624 55 T 4.2849 7.9470 108.7100 63.3747 69.1881 176.6997 56 V 3.5543 7.4903 122.0075 66.0261 31.4349 176.0254 57 P 4.2960 0.0000 0.0000 65.6003 31.2290 178.7844 58 V 3.6190 8.1728 117.1940 66.2486 31.1215 177.7903 59 Y 3.9555 8.2404 115.8607 60.8125 37.6565 178.2346 60 A 4.0826 8.3359 121.8739 55.1606 18.3298 179.3646 61 Q 3.8963 7.9513 116.8990 59.5164 29.1973 178.5572 62 V 3.7280 7.5251 117.8426 65.7692 31.6787 177.5522 63 Q 4.2303 8.1807 121.6123 59.5290 29.0232 179.0181 64 Q 4.2916 8.3327 122.1413 57.2866 28.4155 180.0454 *66 L 4.4368 7.9807 122.5822 55.5710 43.9947 179.5319 67 A 4.0360 7.7313 120.2890 55.2019 18.1010 179.7601 68 Q 4.0131 8.2374 116.8366 59.0465 28.5553 178.7717 69 R 3.9173 7.8367 118.6084 59.0249 30.2718 177.8927 70 F 4.2374 8.4787 120.1693 61.0629 39.5561 176.8126 71 A 4.1671 8.6302 122.8015 56.5126 18.0758 180.5215 72 Q 3.9435 7.8141 117.6524 58.7032 28.5261 179.9108 73 A 4.6486 6.8725 123.3259 51.3917 22.1205 174.8641 74 K 3.5975 9.4729 124.4512 51.9611 30.9327 172.1727 75 A 2.6639 8.0348 118.3206 51.9200 15.4446 177.8914 76 P 4.4654 0.0000 0.0000 61.6624 31.7397 178.4374 77 E 4.2416 8.9392 120.8606 57.9811 29.7295 175.0979 78 S 4.4734 8.0632 110.5838 60.7846 63.4446 174.7445 79 K 4.7475 8.5777 122.1576 56.0205 32.6913 178.1890 80 K 3.8618 8.2833 119.5848 58.5905 32.0776 178.0967 81 A 4.3748 7.9002 121.8662 53.6788 18.4629 179.5222 82 V 3.7699 7.5824 117.1856 65.9036 31.6045 177.8951 83 L 4.0118 7.7644 119.6729 57.9325 41.9791 178.3928 84 E 3.9349 8.1388 119.0016 59.5655 29.3939 179.6527 85 R 4.0401 7.6792 114.4909 59.4453 29.6909 178.4514 86 Y 3.9754 8.0189 116.9866 60.7113 37.8886 178.2462 87 Q 4.1272 8.6556 119.2832 58.4221 28.7793 178.3318 88 A 4.0651 7.8247 121.7419 54.7809 18.4626 179.7745 89 K 3.8448 8.4200 117.2328 59.6662 32.1722 179.3910 90 A 4.0177 8.0624 120.9669 55.1657 18.2449 179.2104 91 N 4.3659 8.0935 114.8943 56.8674 39.0418 177.0748 92 A 4.0974 8.2868 122.3147 55.1541 18.1136 179.4910 93 E 4.0101 8.4067 117.2276 59.3005 29.4400 179.5060 94 L 3.9839 7.9320 119.3144 57.7361 41.3808 179.0744 95 D 4.5209 8.2390 120.2298 56.6990 40.4536 178.9769 96 R 3.9010 7.6286 118.1167 59.1397 30.1765 178.0844 97 A 4.3043 7.5111 118.2692 54.0566 18.9435 179.0918 98 I 4.5094 8.1691 109.0696 60.2699 38.2362 176.7836 99 G 3.9274 7.8406 107.4993 45.0692 0.0000 174.4500 100 W 4.6204 9.0459 131.6838 60.6452 30.3937 178.0944 101 D 4.4445 8.1640 117.3716 55.7247 38.8469 177.8859 102 K 4.1771 7.9476 119.5204 58.4849 32.7282 178.8475 103 I 3.8255 7.4542 119.5550 64.1422 37.4012 177.7623 104 K 2.8601 7.2598 120.7768 59.0819 31.5594 176.6920 105 P 4.1814 0.0000 0.0000 65.5102 31.3976 178.3045 106 E 4.1207 7.9902 116.5517 58.6779 29.5593 178.8623 107 L 4.2649 7.7659 119.1713 57.4119 41.7197 179.3956 108 I 3.8525 7.7569 119.8410 64.3610 37.0870 178.4208 109 K 3.9850 7.8676 119.2706 59.4282 32.0076 179.0018 110 L 3.9065 7.8843 119.9902 58.4767 42.0212 178.6732 111 Y 4.2619 8.2456 116.7445 61.0064 37.7967 178.0749 112 T 4.0942 8.4898 110.5673 64.6993 68.9640 176.2845 113 T 4.1454 7.8662 111.6027 63.5354 69.2368 175.7331 114 N 4.5158 7.6557 116.0209 52.5922 39.5854 174.7842 115 F 5.0393 7.5991 117.9037 54.9122 43.2021 175.1315 116 T 4.3773 9.0519 114.4961 60.9617 71.1356 175.5770 117 E 3.9615 8.7040 122.0638 59.5925 29.5955 179.1308 118 S 4.1836 8.0334 113.8088 61.3889 63.1676 176.2415 119 E 3.9898 8.3172 122.2067 59.2134 29.2263 179.2585 120 L 3.7618 8.1300 119.1366 57.4670 41.6609 179.4365 121 K 4.0876 8.1936 119.5923 59.8251 32.1896 178.6697 122 D 4.4390 8.1537 119.0937 57.2297 40.6100 178.7705 123 L 4.1161 8.1346 119.7523 57.8187 41.3938 179.2667 124 N 4.5266 8.5862 116.4195 56.2523 38.4740 177.2841 125 A 4.0311 8.1661 122.2079 55.0455 18.4857 179.4785 126 F 3.9193 8.2680 119.0137 61.7378 39.3630 176.8287 127 Y 4.2591 7.9409 113.7512 59.9602 37.7855 177.4573 128 Q 4.1954 8.1210 119.1829 57.1902 29.5652 176.7744 129 S 4.2600 7.1370 113.9013 57.2705 63.9458 173.3555 130 P 4.1778 0.0000 0.0000 65.8422 30.8801 178.8066 131 L 3.9899 7.7187 118.7720 57.7558 42.0981 178.9462 132 G 3.5217 7.2028 106.8107 47.1365 0.0000 175.8136 133 K 4.0304 7.9817 121.3056 58.7839 31.9330 179.4566 134 K 3.9018 7.9845 120.0189 59.3241 31.9204 178.9081 135 V 3.6274 7.7666 117.5408 66.2045 31.5620 177.4407 136 L 4.1227 7.7938 117.0608 57.9836 41.5490 179.0314 137 E 4.0898 7.9079 117.7876 58.8230 30.1742 179.4671 138 K 4.2530 8.2441 120.0725 55.6032 32.0008 177.4460 *140 P 4.3088 0.0000 0.0000 62.8920 33.4881 178.6673 141 R 3.8964 7.8694 118.6050 58.8653 30.0440 178.2318 142 L 3.9978 8.3449 119.2970 57.9985 41.6009 179.6831 143 T 3.8700 7.8783 114.9922 66.5108 68.5152 176.4340 144 A 4.0016 7.9821 122.6306 55.3437 18.4701 179.5948 145 E 3.9454 8.4787 117.4280 59.5101 29.3538 179.5681 146 S 4.0783 8.2688 113.0659 61.3579 62.4980 176.1060 147 A 4.0739 8.1889 123.4492 54.9739 18.1291 179.7011 148 Q 3.9539 8.1822 116.9184 58.7839 28.7534 178.3635 149 L 3.9386 7.8499 121.3455 58.6098 42.0897 179.2346 150 T 3.8330 7.6441 115.3601 66.7659 68.1525 176.4814 151 Q 3.9585 8.2156 121.1832 58.9910 28.7859 178.2212 152 A 4.0112 7.9230 120.9957 55.1645 18.7692 179.4712 153 K 4.0641 8.0142 117.0624 59.5389 32.1242 179.3782 154 L 4.0158 8.3594 120.9206 58.1813 41.9048 179.0057 155 Q 4.2042 7.9812 117.7646 58.4322 28.3270 178.7251 156 G 3.6645 8.0409 105.9963 46.7840 0.0000 174.6382 157 A 4.4744 7.7698 121.2878 52.1817 19.2180 179.1333 158 V 3.4572 7.4128 117.7996 65.8851 31.6668 177.5238 159 E 3.9214 8.0917 118.3644 59.0145 29.5431 176.9265 160 P 4.2368 0.0000 0.0000 65.5565 31.2012 178.8270 161 V 3.6167 7.6264 116.3298 65.7532 31.4576 177.6639 162 N 4.4761 8.0483 115.7657 56.1485 38.7045 176.9262 163 K 4.1169 8.2286 121.1567 59.2486 32.0265 178.5131 164 L 4.0333 7.7022 115.3166 56.5755 42.0231 177.0702 *166 A 4.4007 7.8795 121.8946 52.4542 20.4387 179.3108 167 D 4.6336 8.2382 116.2201 55.6939 40.3751 178.7435 *169 D 4.6374 8.1879 120.6316 53.2940 42.3714 181.0098 170 K 4.0206 8.2090 118.8456 59.5086 32.2638 179.0736 171 E 3.9339 8.4359 118.7512 59.0916 29.5316 177.5168 172 L 4.1483 7.8902 115.5457 54.7277 42.5929 175.5845 173 G 3.5842 7.6716 106.4768 45.8198 0.0000 173.3631 174 V 4.1801 8.1618 117.1960 61.9907 34.6150 175.1475 175 A 4.1080 8.8111 128.5735 52.8170 18.5724 176.3787 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 0 G 8.21 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 *37 D 8.60 4.70 0.00 2.81 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 38 S 8.11 4.16 0.00 3.94 3.94 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 39 A 8.04 4.06 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 40 S 8.02 4.05 0.00 3.92 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 41 Q 7.91 4.04 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 42 A 8.49 4.03 1.46 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 43 E 8.47 3.96 0.00 2.17 2.25 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 2.37 2.41 0.00 44 Q 8.29 3.99 0.00 2.34 2.30 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 2.39 2.45 0.00 45 F 8.33 4.30 0.00 3.23 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 46 L 7.97 3.76 0.00 2.07 1.96 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.81 3.75 0.00 1.94 1.74 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.67 7.81 48 L 7.51 3.75 0.00 1.52 1.65 1.04 0.80 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 49 V 7.14 3.40 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 0.47 0.00 0.00 -0.24 0.00 0.00 50 H 8.13 3.94 0.00 3.22 3.17 0.00 5.68 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 51 A 7.71 4.03 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 52 D 7.04 3.37 0.00 2.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.55 4.24 0.00 1.71 1.75 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.21 1.48 7.81 54 L 7.39 4.05 0.00 1.83 1.80 0.89 0.87 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 55 T 7.95 4.28 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 56 V 7.49 3.55 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.85 0.00 0.00 57 P 0.00 4.30 0.00 2.23 2.11 0.00 3.85 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 2.14 2.16 0.00 58 V 8.17 3.62 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 0.94 0.00 0.00 0.97 0.00 0.00 59 Y 8.24 3.96 0.00 3.23 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 60 A 8.34 4.08 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 61 Q 7.95 3.90 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 62 V 7.53 3.73 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 0.83 0.00 0.00 0.94 0.00 0.00 63 Q 8.18 4.23 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 64 Q 8.33 4.29 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.16 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 *66 L 7.98 4.44 0.00 1.89 1.80 1.01 0.98 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 67 A 7.73 4.04 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 68 Q 8.24 4.01 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 69 R 7.84 3.92 0.00 1.80 2.15 0.00 3.28 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 70 F 8.48 4.24 0.00 3.10 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 71 A 8.63 4.17 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 72 Q 7.81 3.94 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 73 A 6.87 4.65 1.15 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 0.00 0.00 74 K 9.47 3.60 0.00 1.95 1.58 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 0.99 7.81 75 A 8.03 2.66 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 76 P 0.00 4.47 0.00 2.24 2.20 0.00 3.41 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 77 E 8.94 4.24 0.00 2.01 1.93 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 2.24 1.89 0.00 78 S 8.06 4.47 0.00 4.00 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 79 K 8.58 4.75 0.00 1.99 1.96 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.42 7.81 80 K 8.28 3.86 0.00 1.93 1.76 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.14 1.58 7.81 81 A 7.90 4.37 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 82 V 7.58 3.77 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.04 0.00 0.00 83 L 7.76 4.01 0.00 0.92 1.34 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.14 3.93 0.00 2.16 1.98 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 2.29 2.43 0.00 85 R 7.68 4.04 0.00 1.98 2.13 0.00 2.66 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.32 0.00 86 Y 8.02 3.98 0.00 3.09 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 87 Q 8.66 4.13 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 88 A 7.82 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.42 3.84 0.00 1.93 1.85 0.00 1.25 0.00 0.00 1.28 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.44 7.81 90 A 8.06 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.09 4.37 0.00 3.00 3.10 0.00 0.00 7.09 8.19 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 92 A 8.29 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.41 4.01 0.00 2.13 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 0.00 2.53 2.50 0.00 94 L 7.93 3.98 0.00 1.43 1.03 0.26 0.89 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 95 D 8.24 4.52 0.00 3.00 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 96 R 7.63 3.90 0.00 1.81 2.12 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 97 A 7.51 4.30 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 98 I 8.17 4.51 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.94 0.00 0.00 99 G 7.84 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 0.00 100 W 9.05 4.62 0.00 3.38 3.13 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 0.00 101 D 8.16 4.44 0.00 2.82 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 0.00 102 K 7.95 4.18 0.00 1.79 1.89 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.88 7.81 103 I 7.45 3.83 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 1.08 0.00 0.00 104 K 7.26 2.86 0.00 0.79 1.05 0.00 1.38 0.00 0.00 1.35 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.12 1.07 7.81 105 P 0.00 4.18 0.00 2.12 2.01 0.00 3.49 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 106 E 7.99 4.12 0.00 1.99 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 2.36 0.00 107 L 7.77 4.26 0.00 1.73 1.96 1.22 1.44 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 0.00 108 I 7.76 3.85 2.01 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 1.58 0.66 0.96 0.00 0.00 109 K 7.87 3.99 0.00 1.93 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 110 L 7.88 3.91 0.00 1.97 1.90 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.25 4.26 0.00 3.27 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 0.00 112 T 8.49 4.09 4.30 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 1.34 0.00 0.00 113 T 7.87 4.15 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 0.00 114 N 7.66 4.52 0.00 2.79 2.33 0.00 0.00 6.75 7.33 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 0.00 115 F 7.60 5.04 0.00 3.10 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 0.00 116 T 9.05 4.38 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 117 E 8.70 3.96 0.00 2.08 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 2.40 2.40 0.00 118 S 8.03 4.18 0.00 4.11 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 0.00 119 E 8.32 3.99 0.00 2.45 2.24 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 2.43 2.41 0.00 120 L 8.13 3.76 0.00 1.84 1.67 1.02 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.19 4.09 0.00 1.91 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 122 D 8.15 4.44 0.00 2.92 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 0.00 123 L 8.13 4.12 0.00 1.75 1.82 -0.04 0.53 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 0.00 124 N 8.59 4.53 0.00 3.02 2.94 0.00 0.00 6.89 7.06 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 0.00 125 A 8.17 4.03 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 0.00 126 F 8.27 3.92 0.00 3.00 2.89 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 0.00 127 Y 7.94 4.26 0.00 3.09 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 0.00 128 Q 8.12 4.20 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 129 S 7.14 4.26 0.00 3.87 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.18 0.00 2.12 2.11 0.00 3.52 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 2.07 2.11 0.00 131 L 7.72 3.99 0.00 1.67 1.44 0.92 1.11 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 0.00 132 G 7.20 3.52 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 0.00 133 K 7.98 4.03 0.00 1.90 1.84 0.00 1.90 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.58 7.81 134 K 7.98 3.90 0.00 1.95 1.92 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 135 V 7.77 3.63 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.14 0.00 0.00 136 L 7.79 4.12 0.00 1.82 1.70 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.91 4.09 0.00 1.94 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 2.30 2.37 0.00 138 K 8.24 4.25 0.00 1.83 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.60 7.81 *140 P 0.00 4.31 0.00 2.22 2.32 0.00 3.76 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 2.07 1.93 0.00 141 R 7.87 3.90 0.00 1.89 1.96 0.00 3.29 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 142 L 8.34 4.00 0.00 1.72 1.72 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.88 3.87 4.40 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 1.23 0.00 0.00 144 A 7.98 4.00 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 0.00 145 E 8.48 3.95 0.00 2.16 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 2.33 2.32 0.00 146 S 8.27 4.08 0.00 3.97 4.10 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 0.00 0.00 0.00 147 A 8.19 4.07 1.39 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 0.00 0.00 0.00 148 Q 8.18 3.95 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 149 L 7.85 3.94 0.00 1.78 1.95 0.93 0.87 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 0.00 150 T 7.64 3.83 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 1.22 0.00 0.00 151 Q 8.22 3.96 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 152 A 7.92 4.01 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 0.00 153 K 8.01 4.06 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 154 L 8.36 4.02 0.00 1.85 1.85 0.92 0.60 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 0.00 155 Q 7.98 4.20 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 156 G 8.04 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.77 4.47 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 0.00 158 V 7.41 3.46 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 0.99 0.00 0.00 0.99 0.00 0.00 159 E 8.09 3.92 0.00 2.07 1.93 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 2.38 2.41 0.00 160 P 0.00 4.24 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 161 V 7.63 3.62 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 0.83 0.00 0.00 0.97 0.00 0.00 162 N 8.05 4.48 0.00 2.98 2.86 0.00 0.00 6.97 6.89 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 0.00 163 K 8.23 4.12 0.00 1.86 2.06 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.61 7.81 164 L 7.70 4.03 0.00 1.73 1.82 0.92 1.03 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 *166 A 7.88 4.40 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.24 4.63 0.00 2.91 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 *169 D 8.19 4.64 0.00 2.63 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 0.00 170 K 8.21 4.02 0.00 1.97 1.88 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 171 E 8.44 3.93 0.00 2.08 1.98 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 2.32 2.28 0.00 172 L 7.89 4.15 0.00 1.68 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 173 G 7.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 V 8.16 4.18 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 0.82 0.00 0.00 0.93 0.00 0.00 175 A 8.81 4.11 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 * Residues marked with a * may have inaccurate shift predictions.