NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3738 8.3031 124.0301 54.8695 33.1390 175.2079 3 G 3.6706 8.6800 114.4757 43.6627 0.0000 170.3915 4 D 4.4786 8.6529 120.1004 53.7647 42.3694 175.2381 5 K 3.8421 8.9924 126.4564 59.8755 32.0286 178.9387 6 K 3.9870 8.4289 118.5078 58.9255 31.9201 179.5697 7 V 3.5350 7.8141 118.2325 66.1040 31.5438 178.0074 8 I 3.6889 7.7647 119.5678 64.3229 36.8892 178.2816 9 Q 3.9102 8.0798 120.5074 59.2917 28.7959 177.6306 10 H 4.0780 8.3740 117.6260 59.0160 28.8105 177.6578 11 L 3.9837 8.2247 120.6945 58.0581 41.4670 179.3286 12 N 4.5098 8.2977 116.3065 56.1322 38.3549 177.4399 13 K 3.9584 7.9525 121.0928 59.3573 32.2718 178.8392 14 I 3.6857 8.0293 120.4619 64.3045 37.0156 178.0644 15 L 4.0107 8.5414 121.4550 58.2235 41.6651 178.9366 16 G 3.8265 8.3925 106.0152 48.3568 0.0000 175.2663 17 N 4.3973 8.1273 118.4809 55.8994 38.5393 177.3927 18 E 3.9684 8.4183 120.2615 59.5344 29.6179 179.4666 19 L 4.0543 8.0811 118.8835 57.5785 41.5182 179.8127 20 I 3.7252 7.4660 119.4498 64.3059 37.0212 178.2620 21 A 3.3447 7.6376 121.1353 54.7796 18.0896 179.4454 22 I 3.5601 8.1073 118.6236 64.8785 37.2747 178.4239 23 N 4.3500 7.6363 115.5011 56.1707 38.3359 177.3241 24 Q 3.8746 8.0709 121.0423 59.5670 29.1985 178.0934 25 Y 4.9186 7.9489 119.3164 60.5692 37.8700 178.3656 26 F 4.0137 8.4584 121.7513 61.1925 39.5209 177.0217 27 L 4.0518 8.2188 120.0235 58.4948 41.8309 178.5086 28 H 3.9073 8.3707 116.2771 58.7566 28.5329 177.3871 29 S 4.3776 8.6602 115.2142 61.9741 62.1410 176.7526 30 R 3.8437 7.9483 120.2445 59.0865 29.7024 179.1091 31 M 3.4500 8.1309 119.1781 57.8464 31.7810 178.7146 32 W 4.4508 7.9839 119.0506 59.9340 29.1898 178.0444 33 N 4.3125 8.4006 116.5617 56.7473 37.8336 176.8290 34 D 4.3254 7.9991 117.8068 56.9329 41.2942 177.4725 35 W 4.9174 7.8842 116.7280 56.3368 29.2556 176.8768 36 G 3.9941 8.2685 107.3586 46.7636 0.0000 175.7206 37 L 4.6521 8.0438 122.0413 53.2912 39.3636 176.8694 38 K 4.1830 8.6588 121.7849 58.0817 32.6685 178.8518 39 R 3.8185 7.8298 119.6224 59.3535 30.0986 178.1889 40 L 3.7706 7.8255 118.4518 57.8254 41.4781 179.7380 41 G 3.7632 8.1198 105.2328 47.5866 0.0000 175.7574 42 A 4.0006 8.2653 123.2520 55.3357 18.5337 179.1661 43 H 3.8784 8.2477 116.8107 59.3576 29.7049 177.1098 44 E 4.0168 8.4052 121.2395 59.2116 29.4537 178.0397 45 Y 4.0169 8.1049 119.7842 60.9915 38.8294 177.6296 46 H 3.9967 8.3113 119.0887 59.1848 29.9210 177.1472 47 E 3.8157 7.9889 120.3301 59.2904 29.3009 179.0141 48 S 4.2510 8.2515 113.2417 61.6698 62.4356 176.3075 49 I 3.5603 7.6047 122.2781 64.4655 36.7967 178.0113 50 D 4.2488 8.0144 119.6244 57.5692 40.5912 178.9138 51 E 4.0630 8.1783 118.8818 59.5301 29.4307 179.1587 52 M 4.0040 8.0415 118.8186 58.4888 32.0029 179.0252 53 K 4.0243 7.9786 118.4739 59.6107 32.1827 179.1674 54 H 4.2467 8.1873 116.3990 58.8051 28.6070 177.6199 55 A 3.9896 8.2282 122.6653 55.1103 18.2205 178.9827 56 D 4.2640 8.0994 116.4559 57.7191 41.3626 178.8535 57 K 4.0271 8.0689 118.7844 59.3723 31.9132 179.4105 58 L 4.0270 8.1564 119.4002 57.7746 41.5115 179.5061 59 I 3.7065 8.2032 120.1871 64.5937 37.0743 178.3789 60 E 4.0310 8.3310 119.3326 59.2359 29.1485 179.4832 61 R 4.0217 8.0325 118.7726 59.3145 30.1706 178.3786 62 I 3.7084 8.0399 119.9471 64.5480 37.1727 178.3080 63 L 4.1269 7.9155 119.5625 57.9050 41.2536 179.4202 64 F 4.3026 8.0300 119.3004 61.1630 39.5751 176.3666 65 L 3.9088 8.2179 116.5458 54.6054 41.1278 177.4267 66 E 3.7849 7.8625 118.9982 56.5037 28.4872 174.2492 67 G 3.8734 8.0969 106.4970 43.9447 0.0000 173.8151 68 L 4.5018 7.9990 119.1420 52.1083 41.9713 175.1453 69 P 4.4219 0.0000 0.0000 62.2228 31.8961 175.9403 70 N 4.6906 9.2652 122.4153 52.4700 38.7090 174.3333 71 L 4.6229 8.3040 124.4097 54.5247 42.8157 177.4132 72 Q 4.0819 8.4098 121.0304 57.9721 29.3241 175.6458 73 D 4.5999 8.1405 117.8769 52.8838 41.6105 175.3426 74 L 4.5584 8.3082 125.6484 52.8895 44.0949 176.5084 75 G 3.7742 8.3521 117.3551 44.8163 0.0000 171.2616 76 K 4.1631 8.4174 122.3636 55.0597 32.0781 177.5956 77 L 4.0021 8.4550 127.2077 55.2393 41.9264 177.9656 78 L 4.4495 8.5413 124.8574 53.3847 40.4116 174.4350 79 I 4.1776 7.9127 122.4642 59.9522 38.2606 176.3012 80 G 4.0899 8.7110 114.1653 44.4957 0.0000 172.8220 81 E 4.6104 8.7371 117.7942 56.2345 31.2490 175.5303 82 N 5.0562 7.6048 114.6709 50.3901 40.9271 174.8320 83 T 4.2499 8.5149 111.0753 65.3117 67.3793 175.7422 84 Q 3.9983 8.2249 121.2343 59.3763 29.0635 178.1894 85 E 4.0518 8.7694 119.5792 59.4635 29.4284 179.1515 86 M 3.9254 8.1965 118.8146 58.2249 31.8757 178.6743 87 L 4.1140 8.1018 119.0444 58.0117 41.8710 179.3562 88 Q 3.9600 7.9200 118.8203 59.4011 29.0272 177.9004 89 C 4.0898 8.7332 118.0043 63.1808 28.1878 175.9397 90 D 4.6547 8.5045 120.3811 57.3593 40.4578 178.7050 91 L 3.9970 8.2714 120.9038 58.3964 42.2984 178.5956 92 N 4.3630 8.8285 116.7520 56.4497 38.4544 177.1584 93 L 4.0628 8.0612 121.5515 58.1827 42.3419 178.8961 94 E 4.1521 8.6304 118.7780 59.2854 29.4022 179.2761 95 L 4.0647 8.1427 119.2676 57.6018 41.7845 179.4507 96 K 3.9745 8.1100 119.0573 59.3884 32.2509 178.7443 97 A 4.0475 8.0655 121.1860 55.3610 18.2697 179.5034 98 T 3.9157 7.9016 111.2700 64.7407 67.5219 176.4384 99 K 3.8582 7.9797 121.6824 59.9970 32.2091 178.5376 100 D 4.4496 8.0479 118.3691 57.0292 40.5892 178.8543 101 L 3.9799 7.8145 119.2706 57.7715 41.6798 179.4903 102 R 3.9153 7.9822 117.9144 59.6087 29.9803 179.0657 103 E 3.9946 8.0900 117.3696 59.2705 29.3877 179.3447 104 A 3.5683 8.0409 121.0026 54.9295 18.4034 179.8186 105 I 3.6719 7.9893 118.6855 64.2895 37.1637 178.5238 106 V 3.5771 7.7917 119.2105 66.4942 31.3206 177.6296 107 H 4.0074 7.9699 117.4250 59.3676 29.6216 176.9104 108 C 4.0551 8.1996 118.6091 62.9011 28.0575 175.7724 109 E 3.9084 8.2494 120.7987 59.2755 28.9645 178.6868 110 Q 3.9413 7.8032 118.9379 58.4664 29.1903 177.5141 111 V 3.9292 7.2715 110.1944 60.4241 31.9192 175.5333 112 H 2.9655 7.3098 114.2954 57.0318 26.7776 176.2513 113 D 4.5085 7.5552 120.2271 53.4885 38.1765 175.4397 114 Y 4.3172 7.4056 121.4325 60.3707 38.4625 177.7213 115 V 3.6456 7.8732 119.0516 66.1088 31.6942 177.9799 116 S 4.1559 8.3705 114.9677 61.6027 62.6853 176.5943 117 R 3.8941 8.0001 121.2560 59.5970 29.8206 178.2453 118 D 4.3393 8.3015 118.5419 57.2706 40.8826 178.2967 119 L 3.9395 7.9776 120.7404 58.4542 41.9527 179.1727 120 L 4.0139 8.1330 118.8719 57.7444 41.4943 179.6254 121 K 3.9659 8.6379 118.8272 59.4933 32.0447 179.1924 122 D 4.3316 8.1026 119.2734 57.4104 40.6847 178.7851 123 I 3.5414 7.8025 120.3437 64.1440 36.9985 178.2826 124 L 3.9227 8.1361 121.5902 58.0764 41.9450 178.5746 125 E 3.9144 8.3710 119.4561 59.4132 29.5608 178.8157 126 S 4.1196 7.9080 112.7822 61.2902 62.3574 175.9952 127 E 3.9870 8.4663 121.8573 59.3129 29.0986 179.0951 128 E 4.0031 8.4404 118.8281 59.3520 29.4993 179.2529 129 E 4.0139 8.3027 118.7959 59.6680 29.5410 178.9566 130 H 4.3723 8.2696 116.2658 59.1079 28.7488 177.9454 131 I 3.8011 8.1652 121.7206 64.3404 36.9525 177.8095 132 D 4.3634 8.4123 119.1469 57.5424 41.0130 177.8200 133 Y 4.0963 8.0569 119.6766 60.7044 38.8707 178.0213 134 L 3.5437 8.0102 119.7154 57.7531 41.6935 179.3645 135 E 3.8835 8.4549 118.8254 59.7333 29.3153 179.4471 136 T 3.7929 7.8810 115.6452 66.8585 68.4173 176.6410 137 Q 3.7433 7.7908 119.6892 58.7325 28.5807 178.6932 138 L 3.8525 7.6633 120.1243 57.6777 41.6441 179.7817 139 G 3.5862 8.1906 105.8136 47.8383 0.0000 175.7488 140 L 4.0049 7.9668 121.6731 57.4939 41.7488 179.4285 141 I 3.5381 7.6193 120.0976 64.6488 36.7542 178.4916 142 Q 3.9953 7.5215 117.4491 58.7035 28.6074 178.3527 143 K 4.1908 7.8223 118.5074 58.1834 32.4192 178.7175 144 V 4.2143 8.2536 110.5577 59.7066 33.3235 176.3291 145 G 4.0712 7.7158 107.0868 45.8631 0.0000 174.1948 146 L 3.9722 8.6167 123.8514 58.2513 42.0292 179.4036 147 E 4.0096 8.1442 117.8396 59.4975 29.4234 179.0123 148 N 4.3285 8.1049 116.0412 56.4497 38.5083 176.5354 149 Y 4.0608 8.3507 120.1582 60.7838 39.0170 178.1040 150 L 4.0786 8.1652 119.7860 57.6290 41.7778 178.9307 151 Q 3.9086 8.3085 119.8793 59.4399 28.8118 178.4768 152 S 4.3320 7.9276 112.9261 60.1633 62.9676 174.3726 153 H 4.6761 7.8547 118.6058 55.6431 30.0376 175.6389 154 M 4.0545 8.0630 121.1117 58.3620 31.9902 175.8946 155 H 5.1568 7.6302 114.0536 53.6939 30.6052 174.9883 156 E 4.1103 8.8797 122.1222 56.9578 29.2429 176.9272 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 2 K 8.30 4.37 0.00 1.56 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 3 G 8.68 3.67 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 4 D 8.65 4.48 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.99 3.84 0.00 1.93 1.78 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.12 7.81 6 K 8.43 3.99 0.00 1.94 1.59 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.60 7.81 7 V 7.81 3.53 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 1.20 0.00 0.00 0.92 0.00 0.00 8 I 7.76 3.69 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.89 0.00 0.00 9 Q 8.08 3.91 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 10 H 8.37 4.08 0.00 3.44 3.31 0.00 5.68 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 11 L 8.22 3.98 0.00 1.80 1.73 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.30 4.51 0.00 2.84 2.86 0.00 0.00 6.73 7.26 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 13 K 7.95 3.96 0.00 1.93 1.98 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.03 3.69 1.99 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 1.64 0.72 0.92 0.00 0.00 15 L 8.54 4.01 0.00 1.74 1.90 0.92 1.07 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 16 G 8.39 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.13 4.40 0.00 2.99 2.88 0.00 0.00 7.03 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.42 3.97 0.00 2.11 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 2.55 2.54 0.00 19 L 8.08 4.05 0.00 1.80 1.68 0.90 0.66 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 20 I 7.47 3.73 1.96 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 1.42 0.72 0.89 0.00 0.00 21 A 7.64 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.11 3.56 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.86 0.00 0.00 23 N 7.64 4.35 0.00 2.92 2.82 0.00 0.00 6.75 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.07 3.87 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.30 0.00 25 Y 7.95 4.92 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 26 F 8.46 4.01 0.00 3.30 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 27 L 8.22 4.05 0.00 1.87 1.74 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.37 3.91 0.00 3.58 2.98 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.66 4.38 0.00 4.03 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 30 R 7.95 3.84 0.00 1.89 1.90 0.00 2.96 0.00 0.00 2.54 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 31 M 8.13 3.45 0.00 0.76 1.53 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.19 0.00 32 W 7.98 4.45 0.00 3.73 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.40 4.31 0.00 2.88 2.87 0.00 0.00 6.71 8.05 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 34 D 8.00 4.33 0.00 2.57 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 35 W 7.88 4.92 0.00 3.72 3.14 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 0.00 0.00 0.00 0.00 36 G 8.27 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.04 4.65 0.00 1.95 1.64 1.32 0.88 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 38 K 8.66 4.18 0.00 1.82 1.84 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.62 7.81 39 R 7.83 3.82 0.00 1.98 1.88 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 L 7.83 3.77 0.00 1.34 0.24 0.45 0.12 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 41 G 8.12 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 42 A 8.27 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 43 H 8.25 3.88 0.00 3.26 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.41 4.02 0.00 2.50 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 0.00 2.84 2.68 0.00 45 Y 8.10 4.02 0.00 3.13 3.11 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 46 H 8.31 4.00 0.00 3.28 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.99 3.82 0.00 2.11 1.79 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 2.39 2.21 0.00 48 S 8.25 4.25 0.00 4.16 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 49 I 7.60 3.56 1.78 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.80 0.00 0.00 50 D 8.01 4.25 0.00 2.86 2.66 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 51 E 8.18 4.06 0.00 2.07 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 2.74 2.51 0.00 52 M 8.04 4.00 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.55 0.00 53 K 7.98 4.02 0.00 1.92 1.84 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 54 H 8.19 4.25 0.00 3.49 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.23 3.99 1.36 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 0.00 0.00 56 D 8.10 4.26 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.07 4.03 0.00 1.88 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 L 8.16 4.03 0.00 1.85 1.73 0.97 0.65 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 59 I 8.20 3.71 2.04 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 1.52 0.77 0.92 0.00 0.00 60 E 8.33 4.03 0.00 2.15 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 2.34 2.58 0.00 61 R 8.03 4.02 0.00 2.08 2.09 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.04 3.71 2.08 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 0.60 0.91 0.00 0.00 63 L 7.92 4.13 0.00 2.09 1.78 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.03 4.30 0.00 3.04 3.29 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 65 L 8.22 3.91 0.00 1.81 1.60 1.00 0.72 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 66 E 7.86 3.78 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 67 G 8.10 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 68 L 8.00 4.50 0.00 1.62 1.62 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.04 1.98 0.00 3.66 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 2.03 2.07 0.00 70 N 9.27 4.69 0.00 2.62 2.84 0.00 0.00 7.05 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 71 L 8.30 4.62 0.00 1.61 1.63 0.91 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 72 Q 8.41 4.08 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.14 4.60 0.00 2.69 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 74 L 8.31 4.56 0.00 1.50 1.50 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.35 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 76 K 8.42 4.16 0.00 1.72 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 77 L 8.45 4.00 0.00 1.63 1.57 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.54 4.45 0.00 1.78 1.67 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.91 4.18 1.88 0.00 0.00 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 1.33 0.75 0.91 0.00 0.00 80 G 8.71 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.74 4.61 0.00 2.16 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 0.00 2.30 2.24 0.00 82 N 7.60 5.06 0.00 2.78 2.80 0.00 0.00 5.92 7.22 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 83 T 8.51 4.25 5.43 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 1.53 0.00 0.00 84 Q 8.22 4.00 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 85 E 8.77 4.05 0.00 2.32 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 2.34 2.36 0.00 86 M 8.20 3.93 0.00 1.33 2.08 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 1.97 0.00 87 L 8.10 4.11 0.00 1.90 1.72 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.92 3.96 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.73 4.09 0.00 3.30 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.50 4.65 0.00 2.98 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 91 L 8.27 4.00 0.00 1.87 1.91 0.96 0.94 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 92 N 8.83 4.36 0.00 2.90 2.90 0.00 0.00 6.73 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 93 L 8.06 4.06 0.00 1.99 1.97 0.94 0.98 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 94 E 8.63 4.15 0.00 2.12 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 2.76 2.65 0.00 95 L 8.14 4.06 0.00 1.87 1.74 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.11 3.97 0.00 1.93 1.98 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.07 4.05 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 98 T 7.90 3.92 4.55 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 1.31 0.00 0.00 99 K 7.98 3.86 0.00 2.01 2.02 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 D 8.05 4.45 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 0.00 101 L 7.81 3.98 0.00 1.99 1.72 0.92 0.85 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 0.00 102 R 7.98 3.92 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 103 E 8.09 3.99 0.00 2.18 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 0.00 2.35 2.52 0.00 104 A 8.04 3.57 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 0.00 105 I 7.99 3.67 1.99 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 1.41 0.95 0.93 0.00 0.00 106 V 7.79 3.58 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 0.97 0.00 0.00 0.97 0.00 0.00 107 H 7.97 4.01 0.00 3.34 3.32 0.00 5.84 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 0.00 108 C 8.20 4.06 0.00 3.16 3.14 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 0.00 0.00 0.00 0.00 109 E 8.25 3.91 0.00 2.25 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 0.00 2.37 2.45 0.00 110 Q 7.80 3.94 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 111 V 7.27 3.93 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 0.83 0.00 0.00 0.98 0.00 0.00 112 H 7.31 2.97 0.00 3.17 3.07 0.00 5.64 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.56 4.51 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.41 4.32 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.87 3.65 2.16 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.37 4.16 0.00 4.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.00 3.89 0.00 1.94 2.22 0.00 3.17 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 118 D 8.30 4.34 0.00 3.10 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 0.00 119 L 7.98 3.94 0.00 1.87 1.89 0.94 0.53 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 0.00 120 L 8.13 4.01 0.00 1.86 1.69 0.91 1.25 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 0.00 121 K 8.64 3.97 0.00 1.99 1.87 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.36 7.81 122 D 8.10 4.33 0.00 2.88 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 I 7.80 3.54 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.62 0.75 0.00 0.00 124 L 8.14 3.92 0.00 1.78 1.81 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.37 3.91 0.00 2.15 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 2.31 2.33 0.00 126 S 7.91 4.12 0.00 3.99 4.08 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 0.00 127 E 8.47 3.99 0.00 2.02 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 0.00 2.51 2.52 0.00 128 E 8.44 4.00 0.00 2.18 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 0.00 129 E 8.30 4.01 0.00 2.25 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 2.37 2.37 0.00 130 H 8.27 4.37 0.00 3.58 3.43 0.00 5.64 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 0.00 131 I 8.17 3.80 2.07 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 1.47 0.80 0.94 0.00 0.00 132 D 8.41 4.36 0.00 2.91 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 0.00 133 Y 8.06 4.10 0.00 3.13 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.01 3.54 0.00 2.06 1.65 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.45 3.88 0.00 1.95 1.96 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 2.32 2.66 0.00 136 T 7.88 3.79 4.33 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 1.20 0.00 0.00 137 Q 7.79 3.74 0.00 1.66 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.49 1.86 0.00 138 L 7.66 3.85 0.00 1.84 1.61 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.19 3.59 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 0.00 0.00 0.00 0.00 140 L 7.97 4.00 0.00 1.73 1.83 1.06 1.01 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 0.00 141 I 7.62 3.54 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.21 0.82 0.00 0.00 142 Q 7.52 4.00 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 143 K 7.82 4.19 0.00 1.75 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 144 V 8.25 4.21 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 0.79 0.00 0.00 1.07 0.00 0.00 145 G 7.72 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 0.00 146 L 8.62 3.97 0.00 1.77 1.69 0.97 0.97 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 0.00 147 E 8.14 4.01 0.00 2.06 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 2.40 2.40 0.00 148 N 8.10 4.33 0.00 3.08 2.89 0.00 0.00 6.74 7.48 0.00 0.00 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 Y 8.35 4.06 0.00 2.92 3.14 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 0.00 0.00 0.00 0.00 150 L 8.17 4.08 0.00 1.90 1.72 0.95 0.91 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 0.00 151 Q 8.31 3.91 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 152 S 7.93 4.33 0.00 3.90 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 0.00 153 H 7.85 4.68 0.00 2.87 3.09 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.06 4.05 0.00 1.78 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 155 H 7.63 5.16 0.00 3.09 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.88 4.11 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00