NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3002 8.1733 121.7883 56.6346 34.3589 177.9364 5 D 4.3749 7.9546 118.1181 56.4892 40.6347 177.9361 6 K 4.1041 8.8294 125.7111 59.6275 32.2398 183.8252 7 I 3.9629 7.7476 120.3076 64.3418 37.2175 178.3969 8 L 4.0355 8.3150 120.1539 57.4848 41.4394 179.9330 9 G 3.5163 8.0080 105.3962 47.8662 0.0000 176.1543 10 V 3.5553 7.5797 120.8713 65.4062 31.5141 177.5485 11 A 3.3597 7.8181 120.5604 54.8276 18.1736 179.1134 12 K 3.9249 7.9861 117.0767 60.1113 32.3040 178.7662 13 E 4.0137 8.0002 117.8635 59.2829 29.4556 179.2561 14 L 3.9589 8.2334 119.4942 57.5793 41.5578 179.5677 15 F 4.8293 8.3427 119.4523 60.2779 38.6862 177.6081 16 I 3.7248 7.6730 118.1451 64.2811 36.9707 178.1647 17 K 4.1028 7.8563 118.9226 59.0382 32.3437 177.8380 18 N 4.8828 8.7068 113.4191 52.1016 39.7376 175.4476 19 G 3.9748 8.2971 108.1215 44.6635 0.0000 173.4885 20 Y 3.9633 8.3868 118.4213 60.6259 39.1452 177.4144 21 N 4.2418 8.9963 116.9420 56.5668 38.7635 176.8444 22 A 4.0669 8.0216 118.0311 54.1648 18.6606 177.1290 23 T 4.2873 7.7100 113.5368 62.5256 69.3690 174.7315 24 T 4.5325 7.7747 120.7463 60.3247 70.5130 175.0941 25 T 3.9150 8.4453 123.7635 66.9119 68.5221 176.7703 26 G 3.7271 8.1601 106.9113 48.0824 0.0000 175.0601 27 E 3.9181 8.0689 120.9926 58.8001 29.6063 178.8179 28 I 3.5937 7.5118 119.8143 64.6004 37.2545 178.9399 29 V 3.7458 8.0493 114.4247 63.1314 31.0581 178.7482 30 K 3.9261 7.9542 119.4227 59.2250 32.2531 178.2079 31 L 4.3997 7.8639 116.3796 55.1185 41.8180 177.3520 32 S 4.5849 8.1626 113.4087 57.0418 63.5821 173.9028 33 E 3.5964 8.1396 118.4094 58.2588 26.6077 173.0966 34 S 4.8420 8.1721 113.3611 56.9097 67.3786 173.6743 35 S 4.8547 8.3079 116.4634 56.9355 65.2640 175.6848 36 K 3.9674 8.7506 123.0076 57.7488 31.4609 180.2214 37 G 3.7937 7.9645 105.6216 47.6005 0.0000 174.3956 38 N 4.4900 8.3770 119.2687 56.2486 39.5964 176.8275 39 L 4.1580 8.1741 119.9786 58.0770 42.4179 176.5905 40 Y 4.3258 7.6198 121.2591 59.9601 39.1847 174.8741 *41 Y 4.0766 7.9779 131.8982 57.4791 35.1756 169.2180 42 H 4.1448 7.4296 115.7549 58.1303 28.7274 176.9180 43 F 4.8174 8.1207 113.9103 55.7599 40.2443 174.0910 44 K 3.6325 7.7112 120.0693 55.8253 30.7808 176.4113 45 T 4.8023 7.1816 106.9150 59.6158 73.3673 175.1799 46 K 4.0446 8.5824 121.9562 59.6575 32.2152 178.4940 47 E 4.2265 8.2761 117.3234 58.9763 29.8224 178.4354 48 N 4.3212 8.0060 117.5641 56.2831 38.9669 176.2685 49 L 3.6735 7.7792 121.4496 58.2514 42.0888 178.5872 50 F 3.9747 8.0870 119.9823 61.5595 39.2427 177.2080 51 L 3.7649 7.9884 118.2845 57.4495 41.3038 179.2566 52 E 3.9229 8.2965 119.5275 59.2306 29.5527 178.5946 53 I 3.6620 7.9012 120.2428 64.6004 37.0751 178.3922 54 L 3.8747 7.5607 119.4738 57.7729 41.4029 179.2544 55 N 4.3183 8.0943 116.4822 56.4523 38.3749 177.5913 56 I 3.7865 7.8606 121.2274 64.2902 37.1199 178.3774 57 E 4.1058 8.4650 119.8275 59.4966 29.3313 179.2621 58 E 3.8490 8.5777 118.9198 59.1536 29.3659 179.4454 59 S 4.0753 8.0462 115.2926 61.5761 62.8861 176.8581 60 K 3.5949 8.0395 121.0952 59.1110 31.6570 179.0029 61 W 4.5069 8.1958 128.6366 60.8534 30.5747 177.7791 62 Q 3.7789 8.1797 119.2675 58.8820 28.5726 177.7144 63 E 3.8475 8.3294 120.0870 59.5900 29.5953 179.0245 64 Q 3.9168 8.1616 119.6461 59.0772 28.9704 178.4109 65 W 4.0561 7.6399 129.1855 59.9863 30.4503 177.6809 66 K 3.6810 7.5584 120.0301 58.9746 31.5985 178.2656 67 S 4.1078 7.5996 111.3962 60.5608 62.2734 174.9415 68 E 4.1679 7.7547 121.6812 57.7672 29.1666 177.7608 69 Q 3.3580 7.4464 117.5303 58.1304 28.2750 178.2314 70 I 3.7100 7.2629 121.0207 63.9294 37.2623 177.6322 71 K 4.2368 7.5982 117.4926 56.6750 31.9319 176.4892 72 A 4.6853 7.1765 122.6357 50.0945 20.2544 176.6537 73 K 4.0873 8.9439 123.1405 60.1163 33.4426 178.4290 74 T 4.3561 7.9463 111.2432 60.2739 71.5090 175.3960 75 N 4.4558 9.0626 120.1751 56.1980 38.3950 177.7153 76 R 4.4919 8.2383 120.5683 59.9663 30.2074 178.4161 77 E 4.3322 8.2180 118.2113 59.3109 29.4998 179.3419 78 K 4.3852 8.6724 118.8990 59.3782 31.9361 179.2048 79 F 4.1759 8.5484 120.9000 61.3757 39.2510 176.8476 80 Y 4.0501 8.1215 116.6044 60.9985 37.6838 178.6069 81 L 4.0328 8.2248 120.9520 58.4327 42.2823 177.9050 82 Y 3.5448 8.1737 119.5970 61.0643 38.2401 178.2718 83 N 4.3720 7.6670 115.8602 56.0892 38.7521 176.8430 84 E 4.0694 8.1436 120.5293 59.2705 29.8104 178.8941 85 L 4.1671 8.6853 120.9989 57.0624 41.3901 179.6015 86 S 3.4391 7.3999 113.4376 60.9479 62.7600 176.3108 87 L 3.9985 7.4167 122.1471 56.8044 41.2739 177.8279 88 T 4.3178 7.4626 107.9171 62.5832 70.4607 174.8170 89 T 3.9646 8.1433 116.2790 62.2561 67.7098 173.4651 90 E 4.1438 8.4531 123.5771 57.1729 30.4526 175.6816 91 Y 4.9633 7.9285 118.5781 57.9844 39.5391 173.7822 92 Y 3.8418 10.3531 132.0200 58.3666 38.8323 170.7705 93 Y 3.8389 7.8146 116.1520 60.5290 38.1082 177.0288 94 P 4.3334 0.0000 0.0000 64.6392 31.6857 177.3253 95 L 4.4956 7.6603 117.8261 54.7479 41.5164 178.2907 96 Q 3.6861 7.4896 120.5837 58.9138 28.4926 178.3166 97 N 4.2731 8.0156 116.8842 56.1708 38.5713 177.1284 98 A 4.0356 7.9562 121.6856 55.2047 18.4946 179.5355 99 I 3.8956 7.9887 118.5788 64.7477 37.1909 178.8005 100 I 3.7329 8.0830 120.9933 64.2075 36.6779 178.0799 101 E 3.9516 8.1842 119.3359 59.3301 29.8845 178.3544 102 F 3.8361 8.3892 120.9670 61.2800 39.3131 176.4694 103 Y 3.9135 8.5943 119.9229 60.3640 38.4816 176.6873 104 T 4.3632 8.0021 109.6574 61.9919 70.1888 175.1701 105 E 4.5387 8.1221 119.8712 59.2409 34.0949 177.6069 106 Y 4.3549 7.2421 114.2547 57.9663 38.3518 176.9829 107 Y 4.0011 7.7781 120.3384 59.4787 38.9007 177.1090 108 K 3.7794 7.2608 119.1590 59.5693 32.3872 177.8486 109 T 3.9772 7.5379 120.2926 63.9717 67.2113 174.2659 110 N 4.5649 8.4017 122.7861 54.9544 38.6240 176.8595 111 S 4.2016 8.0583 116.7586 60.6275 63.4090 175.2195 112 I 4.3176 7.5959 114.1370 61.5914 38.7705 176.9909 113 N 4.1520 8.1818 121.7403 57.6282 38.6458 177.0986 114 E 4.2740 8.0248 121.0863 61.8311 29.3375 181.7260 115 K 4.3560 7.9694 123.5760 59.5183 31.9731 180.9440 116 M 4.5422 7.9940 117.0502 57.4063 32.1496 178.4398 117 N 4.4889 8.2879 117.4884 56.3147 38.6201 177.4928 118 K 4.0934 8.0148 119.4913 59.3281 31.9239 179.4873 119 L 4.1234 7.7621 119.0891 57.7154 41.6012 179.0944 120 Q 4.1930 8.2531 119.1707 58.7663 28.9853 177.7605 121 N 4.4896 8.4226 117.9902 56.0116 38.0408 177.5261 122 K 4.0062 7.8358 118.6349 59.7454 32.0145 178.6109 123 Y 4.0976 7.6372 118.3961 61.0401 38.7267 178.0368 124 I 3.8827 7.9968 120.4565 63.9196 37.3546 177.6769 125 D 4.4607 8.2478 118.4856 56.6244 40.9724 178.0372 126 A 4.0627 7.6041 121.5232 55.5519 18.3459 179.2030 127 Y 3.6494 7.6378 115.2848 61.0019 37.8071 177.8803 128 H 4.2520 8.3985 120.2117 58.6814 29.9044 177.0212 129 V 3.7006 8.0322 119.7062 66.2115 31.3346 177.6637 130 I 3.7990 7.7103 119.3370 64.8817 37.1330 178.4834 131 F 4.8608 8.6626 118.6247 60.2634 38.7643 177.8757 132 K 4.0323 9.0176 119.8060 59.7769 32.0869 178.6947 133 E 4.1220 8.7806 119.3670 59.4603 29.3800 179.6220 134 G 3.3128 8.6016 105.8150 47.5340 0.0000 175.5327 135 N 4.6427 8.1676 119.6628 55.8542 38.4452 177.3297 136 L 4.0547 7.7877 118.7897 57.6926 41.7498 178.4709 137 N 4.7902 8.2490 114.1719 52.4367 38.6347 175.4045 138 G 3.8728 7.4564 106.9620 46.7354 0.0000 175.2581 139 E 3.9422 7.9959 120.1558 56.2588 29.7969 176.3315 140 W 4.1936 6.5555 115.0486 56.4081 29.7275 173.1797 141 S 4.8813 8.8835 114.5184 56.8307 64.4829 174.0204 142 I 4.4055 8.7635 126.2596 59.5403 39.1402 175.4465 143 N 4.5179 8.7605 123.5903 54.8834 39.1152 174.9854 144 D 4.7195 7.5218 117.2637 51.2384 41.7122 175.6240 145 V 3.5087 8.0482 124.0504 65.4707 31.7130 176.6917 146 N 4.4495 8.2698 115.5973 56.3839 38.3178 177.0896 147 A 3.9836 7.9675 122.1268 55.0922 18.4917 179.8794 148 V 3.4332 7.4720 116.3331 66.1809 31.0070 178.3308 149 S 4.4222 8.5865 115.2646 61.6903 62.7472 176.9711 150 K 3.9554 7.8492 121.1836 59.4665 31.8325 179.5104 151 I 3.6819 7.9817 120.0167 64.2142 36.9443 178.4330 152 A 3.5157 8.2564 121.6746 54.8368 18.2161 179.2381 153 A 3.1523 7.2058 119.3003 55.4794 18.3868 179.7610 154 N 4.3924 7.9574 114.2477 56.1037 38.6407 177.7460 155 A 3.8753 7.9729 122.4840 54.9879 18.3739 179.9005 156 V 3.1018 7.8044 117.1754 65.9126 31.6179 177.6899 157 N 4.5300 8.4382 117.0817 56.7637 38.7712 177.0916 158 G 3.6432 8.0265 107.0547 47.8219 0.0000 175.8361 159 I 3.7268 7.3219 121.2442 63.8803 37.3960 178.5564 160 V 3.5710 7.8498 119.2510 66.4811 31.2518 178.4240 161 T 3.6508 7.9589 114.2997 65.9713 68.3420 175.4819 162 F 4.9764 7.8157 117.8644 57.5321 39.0185 175.9513 163 T 4.7175 7.4771 108.6376 61.5988 69.1489 175.4815 164 H 4.2649 8.4251 120.0155 58.9719 28.7368 175.5543 165 E 4.5837 7.7916 118.4018 56.1436 29.3012 175.7426 166 Q 4.6203 7.5812 116.3073 52.7933 33.1052 174.9966 167 N 4.2453 8.7035 117.2383 54.5189 40.2842 175.6785 168 I 3.7088 8.3591 126.7396 64.3354 38.2607 177.8780 169 N 4.4093 8.4137 117.4456 56.1915 38.2684 177.3332 170 E 3.9927 8.3105 119.6942 59.5203 29.6816 179.3909 171 R 4.0378 7.9849 117.9587 59.2396 30.0322 179.2430 172 I 3.8198 7.8414 119.8552 64.0770 37.0739 178.6066 173 K 4.0421 8.0531 119.5120 59.3970 31.8972 179.3088 174 L 4.0442 8.3529 119.7158 58.1822 41.4918 179.3802 175 M 4.1593 8.1177 118.0516 58.6798 32.0933 178.0639 176 N 4.5943 8.5425 116.9192 55.9439 38.7301 177.2943 177 K 3.9918 8.0846 120.7224 59.5219 32.3337 178.1805 178 F 4.1094 8.2307 120.9501 61.7965 39.2090 177.1607 179 S 4.0422 8.4655 114.4946 61.7505 62.5281 176.4477 180 Q 4.2685 8.4084 123.5708 58.8269 28.6504 178.1317 181 I 3.6551 8.0199 120.0917 64.4851 37.5120 177.9468 182 F 3.9354 8.1862 121.3699 61.3330 39.1213 177.2362 183 L 3.7478 7.8557 118.5993 57.6117 41.1975 178.7961 184 N 4.5374 8.3528 115.8088 55.4921 38.9816 176.3052 185 G 3.6399 7.4489 105.5155 46.4916 0.0000 175.5260 186 L 3.8971 7.0666 121.1185 56.9275 41.6493 177.0523 187 S 4.3448 7.8549 117.0035 58.3519 63.3841 173.7840 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 4 K 8.17 4.30 0.00 1.43 1.78 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.34 7.81 5 D 7.95 4.37 0.00 2.83 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 6 K 8.83 4.10 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.09 7.81 7 I 7.75 3.96 2.32 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.55 0.93 0.00 0.00 8 L 8.32 4.04 0.00 1.89 1.74 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.01 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 10 V 7.58 3.56 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 0.85 0.00 0.00 0.93 0.00 0.00 11 A 7.82 3.36 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 12 K 7.99 3.92 0.00 2.00 2.03 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.57 7.81 13 E 8.00 4.01 0.00 2.11 1.94 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 2.53 2.46 0.00 14 L 8.23 3.96 0.00 1.45 1.51 0.76 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.34 4.83 0.00 3.28 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 16 I 7.67 3.72 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.68 0.93 0.00 0.00 17 K 7.86 4.10 0.00 1.87 1.99 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 18 N 8.71 4.88 0.00 2.75 2.83 0.00 0.00 7.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.30 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 20 Y 8.39 3.96 0.00 2.65 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 21 N 9.00 4.24 0.00 2.95 2.94 0.00 0.00 7.14 6.92 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 22 A 8.02 4.07 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 23 T 7.71 4.29 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 0.72 0.00 0.00 24 T 7.77 4.53 4.21 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 1.21 0.00 0.00 25 T 8.45 3.92 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 1.25 0.00 0.00 26 G 8.16 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 27 E 8.07 3.92 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 28 I 7.51 3.59 1.94 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.62 0.82 0.00 0.00 29 V 8.05 3.75 2.20 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 1.06 0.00 0.00 1.04 0.00 0.00 30 K 7.95 3.93 0.00 1.85 2.02 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 31 L 7.86 4.40 0.00 1.73 1.66 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.16 4.58 0.00 3.91 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 33 E 8.14 3.60 0.00 2.13 2.06 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 2.22 2.31 0.00 34 S 8.17 4.84 0.00 3.85 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 35 S 8.31 4.85 0.00 3.98 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 36 K 8.75 3.97 0.00 1.70 1.88 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.03 7.81 37 G 7.96 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.38 4.49 0.00 2.79 2.99 0.00 0.00 6.65 6.18 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 39 L 8.17 4.16 0.00 1.91 1.81 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.62 4.33 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 Y 7.98 4.08 0.00 2.46 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 42 H 7.43 4.14 0.00 2.96 2.00 0.00 5.56 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.12 4.82 0.00 3.13 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 44 K 7.71 3.63 0.00 1.90 1.75 0.00 1.31 0.00 0.00 0.73 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.11 1.22 7.81 45 T 7.18 4.80 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.49 0.45 0.83 0.00 0.00 71 K 7.60 4.24 0.00 1.72 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.55 7.81 72 A 7.18 4.69 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 73 K 8.94 4.09 0.00 1.86 1.93 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.51 7.81 74 T 7.95 4.36 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 1.19 0.00 0.00 75 N 9.06 4.46 0.00 2.74 3.21 0.00 0.00 6.89 8.37 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 76 R 8.24 4.49 0.00 2.14 2.12 0.00 3.37 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 77 E 8.22 4.33 0.00 2.29 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 2.39 2.46 0.00 78 K 8.67 4.39 0.00 2.22 2.33 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.74 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0.00 0.00 104 T 8.00 4.36 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 1.25 0.00 0.00 105 E 8.12 4.54 0.00 1.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 106 Y 7.24 4.35 0.00 2.12 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.78 4.00 0.00 2.95 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 0.00 108 K 7.26 3.78 0.00 1.43 1.66 0.00 1.44 0.00 0.00 1.45 0.00 0.00 2.58 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.76 0.41 7.81 109 T 7.54 3.98 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 1.25 0.00 0.00 110 N 8.40 4.56 0.00 2.72 2.86 0.00 0.00 7.03 7.57 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 0.00 111 S 8.06 4.20 0.00 3.86 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 0.00 112 I 7.60 4.32 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.69 1.09 0.00 0.00 113 N 8.18 4.15 0.00 2.91 2.86 0.00 0.00 7.16 7.21 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 0.00 114 E 8.02 4.27 0.00 2.03 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 2.25 2.20 0.00 115 K 7.97 4.36 0.00 1.76 1.84 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.10 7.81 116 M 7.99 4.54 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.68 0.00 117 N 8.29 4.49 0.00 3.02 2.94 0.00 0.00 6.83 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 0.00 118 K 8.01 4.09 0.00 1.97 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.74 7.81 119 L 7.76 4.12 0.00 1.94 1.77 0.99 0.63 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 0.00 120 Q 8.25 4.19 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 121 N 8.42 4.49 0.00 3.00 2.90 0.00 0.00 6.86 6.46 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 0.00 122 K 7.84 4.01 0.00 2.06 2.02 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.63 7.81 123 Y 7.64 4.10 0.00 2.85 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 0.00 124 I 8.00 3.88 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.00 0.97 0.00 0.00 125 D 8.25 4.46 0.00 3.06 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 0.00 126 A 7.60 4.06 1.07 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 0.00 127 Y 7.64 3.65 0.00 3.06 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 0.00 128 H 8.40 4.25 0.00 3.30 3.59 0.00 5.72 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 0.00 129 V 8.03 3.70 2.35 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 1.14 0.00 0.00 1.09 0.00 0.00 130 I 7.71 3.80 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.62 1.00 0.00 0.00 131 F 8.66 4.86 0.00 3.13 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 0.00 132 K 9.02 4.03 0.00 1.87 1.96 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.55 7.81 133 E 8.78 4.12 0.00 2.25 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 2.56 2.52 0.00 134 G 8.60 3.31 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 0.00 135 N 8.17 4.64 0.00 3.19 2.95 0.00 0.00 6.79 6.33 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 0.00 136 L 7.79 4.05 0.00 1.79 1.74 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.25 4.79 0.00 2.59 2.71 0.00 0.00 7.06 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 0.00 138 G 7.46 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 E 8.00 3.94 0.00 1.16 1.24 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 2.03 1.94 0.00 140 W 6.56 4.19 0.00 3.37 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 0.00 141 S 8.88 4.88 0.00 3.86 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 0.00 142 I 8.76 4.41 1.82 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.36 0.66 0.00 0.00 143 N 8.76 4.52 0.00 2.68 2.85 0.00 0.00 6.87 8.06 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 0.00 144 D 7.52 4.72 0.00 2.58 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 0.00 145 V 8.05 3.51 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.00 0.00 0.00 146 N 8.27 4.45 0.00 2.98 2.91 0.00 0.00 7.03 7.54 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 0.00 147 A 7.97 3.98 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 0.00 148 V 7.47 3.43 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.70 0.00 0.00 149 S 8.59 4.42 0.00 3.97 4.11 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 0.00 150 K 7.85 3.96 0.00 1.91 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.70 7.81 151 I 7.98 3.68 2.11 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 1.49 0.95 1.10 0.00 0.00 152 A 8.26 3.52 1.16 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 0.00 0.00 153 A 7.21 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 N 7.96 4.39 0.00 2.84 2.88 0.00 0.00 7.00 7.95 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 0.00 155 A 7.97 3.88 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 0.00 156 V 7.80 3.10 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 1.02 0.00 0.00 0.92 0.00 0.00 157 N 8.44 4.53 0.00 3.22 2.98 0.00 0.00 7.12 7.50 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 0.00 158 G 8.03 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 0.00 0.00 0.00 159 I 7.32 3.73 1.75 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.42 0.82 0.00 0.00 160 V 7.85 3.57 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.78 0.00 0.00 161 T 7.96 3.65 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 162 F 7.82 4.98 0.00 3.18 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 0.00 163 T 7.48 4.72 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 1.28 0.00 0.00 164 H 8.43 4.26 0.00 3.16 3.39 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 7.79 4.58 0.00 1.91 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 2.33 2.34 0.00 166 Q 7.58 4.62 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 167 N 8.70 4.25 0.00 2.76 2.72 0.00 0.00 6.55 7.79 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 0.00 168 I 8.36 3.71 1.87 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 1.64 1.06 0.91 0.00 0.00 169 N 8.41 4.41 0.00 2.97 2.86 0.00 0.00 7.03 7.82 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 0.00 170 E 8.31 3.99 0.00 2.15 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 2.35 0.00 171 R 7.98 4.04 0.00 2.04 1.96 0.00 3.30 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 172 I 7.84 3.82 2.03 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 1.53 0.79 0.95 0.00 0.00 173 K 8.05 4.04 0.00 2.02 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.51 7.81 174 L 8.35 4.04 0.00 1.82 1.75 0.94 0.74 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 0.00 175 M 8.12 4.16 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 176 N 8.54 4.59 0.00 2.91 3.07 0.00 0.00 6.61 7.28 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 0.00 177 K 8.08 3.99 0.00 2.06 2.07 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.58 7.81 178 F 8.23 4.11 0.00 3.24 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.47 4.04 0.00 3.97 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 0.00 180 Q 8.41 4.27 0.00 2.49 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 181 I 8.02 3.66 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.91 0.00 0.00 182 F 8.19 3.94 0.00 2.33 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 0.00 183 L 7.86 3.75 0.00 1.79 1.78 1.08 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.35 4.54 0.00 2.78 3.00 0.00 0.00 7.17 8.35 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 0.00 185 G 7.45 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 0.00 0.00 0.00 186 L 7.07 3.90 0.00 1.49 1.46 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.85 4.34 0.00 3.98 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.