NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6396 8.4444 120.3893 56.1801 30.7134 172.0109 2 M 4.2941 8.3250 127.0089 53.5814 33.3468 173.5683 3 K 4.5339 8.8858 125.6124 54.1938 36.1004 175.4357 4 Q 2.9987 8.3490 122.6390 58.5312 29.7990 176.2792 5 F 5.5386 7.7557 116.8793 55.6978 41.7028 174.3027 6 E 5.0196 9.2129 121.0229 55.1547 33.5022 173.8645 7 I 5.0078 8.7849 121.6774 59.8443 39.1369 175.6638 8 V 4.5362 8.6945 118.8724 59.8291 35.3063 176.0653 9 I 4.2862 8.1292 121.1095 62.0729 39.5490 176.3362 10 E 4.1787 7.9651 116.4212 55.0875 30.0308 174.6581 11 P 4.2447 0.0000 0.0000 62.9181 31.8718 176.5565 12 I 3.7669 8.2589 123.3816 61.5509 37.4920 175.5312 13 Q 4.5314 8.6581 124.7590 54.4689 29.5566 175.6381 14 T 4.3020 8.5264 114.7346 64.5491 69.7280 176.7693 15 E 4.0202 8.3648 121.8186 59.2153 29.4330 179.1451 16 Q 4.1455 7.8880 118.3656 58.7516 28.2512 178.3110 17 Y 3.9883 7.4168 117.6803 60.7052 38.2316 177.4982 18 R 4.1038 8.0989 119.1726 59.6757 30.1847 178.1930 19 E 3.9659 8.3313 118.2783 59.3430 29.1988 178.9814 20 F 4.0052 8.1032 119.9972 61.4102 39.5301 176.3143 21 T 4.1796 7.7632 106.0971 63.0813 69.2803 174.8675 22 I 4.0896 7.1514 123.8521 60.8717 38.0051 174.5575 23 N 4.8853 8.1669 120.2048 51.5096 39.8633 174.8905 24 E 3.9713 8.6851 115.9580 58.6123 29.5609 177.2403 25 Y 4.2176 8.5626 117.0580 58.5173 38.6732 174.8503 26 Q 4.5887 8.1901 120.2243 54.7838 29.6031 175.6147 27 G 4.1458 8.6555 109.1900 46.0149 0.0000 173.1614 28 A 4.8427 7.7597 122.0851 50.0633 22.7431 175.0348 29 V 4.7974 8.3865 121.0416 60.9346 34.6255 174.6292 30 V 4.2106 8.9049 127.8193 61.0180 33.7375 174.1455 31 V 4.7860 8.4444 127.8355 61.1927 33.4416 174.0538 32 F 4.9469 9.2203 131.4661 56.7587 41.2253 174.2875 33 T 4.6281 7.8575 115.8249 59.6091 71.2548 173.2798 34 G 3.9748 8.4082 112.7588 44.9692 0.0000 172.1947 35 H 5.4894 8.5837 121.8561 53.4999 32.3999 174.0095 36 V 3.8028 8.4138 122.0861 63.3503 32.2074 175.2291 37 R 4.8292 8.6265 126.7151 54.7842 31.9909 175.5140 38 E 4.1750 8.5691 122.0910 55.6603 31.2442 175.2921 39 W 3.9606 8.0234 120.7336 58.1214 26.0897 175.8604 40 T 4.1299 8.0344 109.6209 63.1656 68.6929 173.6470 41 K 4.6698 7.6404 119.9834 53.8844 35.7320 176.1523 42 G 3.6760 8.5483 108.3057 48.3819 0.0000 174.5194 43 V 3.9821 7.3314 119.2937 60.9346 32.3817 175.4020 44 K 3.4475 8.7080 128.1620 56.8242 32.4471 176.0488 45 T 4.1384 8.3432 123.6828 63.5182 68.9014 174.4664 46 E 4.2843 9.1034 127.7013 58.8316 30.2062 176.2715 47 Y 4.6723 6.9585 114.6317 56.7263 41.2097 172.1401 48 L 4.9916 8.7347 118.7407 52.9108 45.5740 175.7053 49 E 5.1722 8.7564 121.2799 55.0062 32.1007 174.7265 50 Y 5.3491 9.1323 122.4718 56.6044 40.7842 174.7407 51 E 5.4316 9.6716 120.9136 55.0064 34.0893 174.6176 52 A 5.0381 8.6072 121.5059 50.0951 22.8287 176.8888 53 Y 4.7351 8.8872 121.5856 56.3558 37.8235 176.4434 54 I 3.6944 8.3009 127.0910 63.5914 37.6361 175.9474 55 P 4.1358 0.0000 0.0000 66.0296 30.9974 178.0702 56 M 3.7491 6.9994 117.2220 58.0162 32.1268 177.7702 57 A 3.8591 8.1852 121.3966 55.3202 18.5422 179.5313 58 E 3.9225 8.3672 117.2249 59.4479 29.5289 179.7646 59 K 3.9535 7.9284 118.5399 59.3367 32.0732 179.5836 60 K 3.9774 8.3141 119.1227 59.0361 31.9627 179.4907 61 L 3.8105 8.0001 119.3738 57.6155 41.4700 179.3114 62 A 2.5800 7.5111 120.6554 54.5182 18.1355 179.2822 63 Q 3.8255 7.8769 118.0217 59.5284 28.9762 178.8807 64 I 3.8542 7.6401 120.8014 64.1906 37.1138 178.5176 65 G 3.7655 7.7114 106.5948 48.1393 0.0000 175.4723 66 D 4.4492 8.3635 121.7832 56.9958 40.8165 178.6738 67 E 4.0066 8.5700 119.4730 59.4899 29.4528 179.4932 68 I 4.0123 8.2336 120.0225 64.5737 37.0184 177.9907 69 N 4.3657 8.1919 116.6751 56.6605 38.7861 176.2228 70 E 4.0331 7.9491 120.0937 59.0358 29.8244 178.4933 71 K 3.7851 7.7653 117.3962 57.1470 33.8502 177.4293 72 W 4.8260 8.5408 119.0097 53.4067 29.2653 172.7599 73 P 4.5864 0.0000 0.0000 64.0791 31.5921 177.4840 74 G 4.0484 8.9688 108.7140 45.4795 0.0000 174.0012 75 T 5.1532 7.2549 108.5973 61.0063 70.1495 174.3943 76 I 4.8188 8.0403 123.1133 59.9437 41.1034 174.6354 77 T 5.2185 8.7737 121.7984 61.9137 71.8401 173.3197 78 S 4.3565 9.2312 119.5051 56.5560 66.4410 172.6518 79 I 5.2221 8.6059 126.3807 59.5412 41.3021 174.6133 80 V 5.5042 8.3914 125.0582 58.9923 34.8903 173.8741 81 H 5.0734 8.6054 121.8227 54.3989 32.9622 172.2039 82 R 5.0536 8.6973 126.1872 55.4981 31.4685 174.9853 83 I 4.7136 8.3226 117.7546 60.0008 41.2934 174.7667 84 G 3.9182 9.0010 110.2752 43.9529 0.0000 170.3897 85 P 5.0759 0.0000 0.0000 62.8428 32.2888 175.8993 86 L 5.0028 9.4809 122.7940 53.1858 45.3735 176.5335 87 Q 4.7790 9.3712 122.8856 54.4218 31.0242 175.4043 88 I 3.8584 8.1837 121.0027 63.3463 37.3343 177.2203 89 S 4.0503 9.1356 119.7122 58.7141 61.6714 170.7675 90 D 4.5630 7.9097 121.2168 54.2524 41.9264 175.8013 91 I 3.9258 8.1822 122.8987 61.4449 37.1597 175.7496 92 A 4.1741 9.1752 130.4264 53.6478 20.1764 177.3756 93 V 4.6644 7.1598 113.1112 60.1474 35.3299 174.1089 94 L 5.1269 8.8647 124.2876 53.5143 45.8101 174.8655 95 I 5.0690 9.0589 126.0495 59.4238 40.7850 174.0570 96 A 5.1554 9.2029 129.0753 50.0558 21.8646 174.9798 97 V 4.9221 8.9021 122.8394 61.0976 34.7674 174.6974 98 S 5.2775 8.8429 122.4908 57.3775 65.9923 172.8741 99 S 4.8047 8.5949 113.6802 56.9006 65.5804 173.6514 100 P 4.6470 0.0000 0.0000 64.6463 31.3949 176.4089 101 H 5.0914 8.0213 114.7445 53.2329 32.3274 174.8958 102 R 4.1146 8.5768 118.6753 59.1677 29.3675 178.9269 103 K 4.0641 8.1529 119.9116 59.6937 32.2145 178.3450 104 D 4.1865 8.2031 118.3179 57.1642 40.8548 178.5330 105 A 3.8276 7.4599 121.6549 55.1997 18.3553 179.3594 106 Y 4.0269 7.9815 115.2071 61.1754 37.8802 178.8946 107 R 3.7737 7.9601 118.6500 59.2242 30.2148 178.9760 108 A 2.7605 7.0316 120.6671 54.6105 18.3113 179.2330 109 N 4.1770 7.7302 115.0677 56.8787 38.9560 176.8544 110 E 3.8112 8.1447 120.7391 59.1092 29.6856 178.0423 111 Y 4.0893 8.2300 119.7423 60.5521 38.8251 177.8418 112 A 3.9297 8.1449 121.6375 55.3397 18.6104 179.4827 113 I 3.4697 7.3975 116.5055 63.9908 37.6127 177.7724 114 E 3.8595 7.7007 119.5352 59.6613 29.3469 179.6819 115 R 3.7514 7.6070 117.7672 59.1055 29.8957 179.0656 116 I 3.6230 7.8052 119.7691 64.5135 36.9205 178.6384 117 K 4.0295 7.6697 117.1649 58.7687 31.8518 179.1048 118 E 4.1896 7.4927 118.4737 58.4001 29.8279 177.4937 119 I 4.3587 7.6304 108.0827 60.0525 39.3101 175.3510 120 V 3.9206 7.2115 122.3061 60.9939 32.2779 174.7314 121 P 4.0431 0.0000 0.0000 62.4387 29.8507 174.2777 122 I 4.5602 6.5971 126.3061 59.7813 41.5177 174.2310 123 W 5.3587 9.6446 125.2739 54.7615 33.6139 174.2142 124 K 4.7226 8.9891 121.8135 54.8778 35.1461 174.4480 125 K 4.3960 8.5513 124.6095 54.4621 34.2689 174.6382 126 E 4.4934 8.6147 127.3463 55.6707 31.2496 175.3755 127 I 4.4048 8.0095 124.7633 59.0112 40.2578 174.7805 128 W 5.1201 7.9869 123.0421 54.7173 31.8026 175.4607 129 E 3.6134 8.7792 117.8507 58.7304 29.9477 177.3815 130 D 4.8864 7.5903 119.5869 52.9118 42.1727 175.3314 131 G 3.4293 7.2071 105.5972 44.8438 0.0000 172.4275 132 S 3.7046 6.9187 111.1086 57.1885 65.4416 174.8758 133 K 4.4857 8.2643 122.5147 54.7792 35.8466 175.1125 134 W 4.6912 8.7975 127.8979 57.1369 29.5237 175.8513 135 Q 4.4506 9.5516 124.3621 55.4455 29.5802 176.1924 136 G 4.4418 9.4831 110.9968 44.7348 0.0000 172.9386 137 H 4.2647 9.1730 119.2179 55.8252 30.4391 175.7305 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 1 H 8.44 4.64 0.00 3.10 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.33 4.29 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.44 0.00 3 K 8.89 4.53 0.00 1.72 1.65 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.36 7.81 4 Q 8.35 3.00 0.00 1.52 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.40 0.00 5 F 7.76 5.54 0.00 2.89 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 6 E 9.21 5.02 0.00 2.04 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 2.35 2.36 0.00 7 I 8.78 5.01 1.90 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 1.23 0.92 0.95 0.00 0.00 8 V 8.69 4.54 2.41 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 0.84 0.00 0.00 0.94 0.00 0.00 9 I 8.13 4.29 1.92 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 1.39 1.10 0.94 0.00 0.00 10 E 7.97 4.18 0.00 2.13 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 2.30 2.30 0.00 11 P 0.00 4.24 0.00 2.06 2.05 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 12 I 8.26 3.77 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.41 0.84 0.00 0.00 13 Q 8.66 4.53 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 14 T 8.53 4.30 4.29 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 1.22 0.00 0.00 15 E 8.36 4.02 0.00 2.02 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 2.41 2.39 0.00 16 Q 7.89 4.15 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.17 1.16 0.00 17 Y 7.42 3.99 0.00 3.05 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 18 R 8.10 4.10 0.00 1.91 2.10 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 19 E 8.33 3.97 0.00 2.18 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 2.60 0.00 20 F 8.10 4.01 0.00 3.07 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 21 T 7.76 4.18 4.31 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 1.48 0.00 0.00 22 I 7.15 4.09 1.84 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 1.35 0.85 0.89 0.00 0.00 23 N 8.17 4.89 0.00 2.92 2.86 0.00 0.00 5.98 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.69 3.97 0.00 1.93 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 2.21 1.88 0.00 25 Y 8.56 4.22 0.00 3.26 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.19 4.59 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 27 G 8.66 4.15 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 0.00 28 A 7.76 4.84 1.14 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 0.00 0.00 29 V 8.39 4.80 2.05 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 0.84 0.00 0.00 0.92 0.00 0.00 30 V 8.90 4.21 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 0.91 0.00 0.00 0.10 0.00 0.00 31 V 8.44 4.79 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 0.84 0.00 0.00 0.95 0.00 0.00 32 F 9.22 4.95 0.00 3.24 2.93 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 33 T 7.86 4.63 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 1.06 0.00 0.00 34 G 8.41 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 35 H 8.58 5.49 0.00 2.95 3.17 0.00 5.71 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 36 V 8.41 3.80 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 0.87 0.00 0.00 1.05 0.00 0.00 37 R 8.63 4.83 0.00 1.75 1.85 0.00 3.29 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 38 E 8.57 4.17 0.00 1.65 1.62 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 1.47 1.47 0.00 39 W 8.02 3.96 0.00 3.55 3.28 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 40 T 8.03 4.13 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 1.24 0.00 0.00 41 K 7.64 4.67 0.00 1.72 1.56 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 1.12 7.81 42 G 8.55 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.33 3.98 1.67 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 0.81 0.00 0.00 0.78 0.00 0.00 44 K 8.71 3.45 0.00 1.71 1.66 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.09 0.40 7.81 45 T 8.34 4.14 4.17 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 0.00 0.00 0.00 1.15 0.00 0.00 46 E 9.10 4.28 0.00 1.89 2.19 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 2.37 2.44 0.00 47 Y 6.96 4.67 0.00 3.27 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.73 4.99 0.00 1.67 1.33 0.94 0.83 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 49 E 8.76 5.17 0.00 1.56 1.85 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 2.35 2.31 0.00 50 Y 9.13 5.35 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.67 5.43 0.00 2.36 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 2.45 2.67 0.00 52 A 8.61 5.04 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 0.00 0.00 0.00 0.00 0.00 53 Y 8.89 4.74 0.00 3.40 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 54 I 8.30 3.69 1.94 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 1.76 0.77 0.93 0.00 0.00 55 P 0.00 4.14 0.00 2.11 2.26 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.04 0.00 56 M 7.00 3.75 0.00 1.60 1.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 57 A 8.19 3.86 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 58 E 8.37 3.92 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 2.34 2.54 0.00 59 K 7.93 3.95 0.00 1.89 1.78 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.54 7.81 60 K 8.31 3.98 0.00 1.77 1.75 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.54 7.81 61 L 8.00 3.81 0.00 1.77 1.70 0.95 0.53 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 62 A 7.51 2.58 1.18 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 0.00 0.00 0.00 0.00 0.00 63 Q 7.88 3.83 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 64 I 7.64 3.85 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 0.97 0.00 0.00 65 G 7.71 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 66 D 8.36 4.45 0.00 2.82 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 67 E 8.57 4.01 0.00 2.41 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 2.40 2.57 0.00 68 I 8.23 4.01 2.21 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.26 1.12 0.00 0.00 69 N 8.19 4.37 0.00 2.79 3.07 0.00 0.00 7.24 7.13 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 70 E 7.95 4.03 0.00 2.07 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 2.26 2.29 0.00 71 K 7.77 3.79 0.00 0.79 0.74 0.00 0.83 0.00 0.00 0.77 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.96 1.25 7.81 72 W 8.54 4.83 0.00 3.43 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 73 P 0.00 4.59 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 74 G 8.97 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 0.00 0.00 0.00 75 T 7.25 5.15 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 1.33 0.00 0.00 76 I 8.04 4.82 1.92 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 1.26 0.77 1.01 0.00 0.00 77 T 8.77 5.22 4.52 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 1.43 0.00 0.00 78 S 9.23 4.36 0.00 3.63 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 79 I 8.61 5.22 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 1.38 1.12 0.98 0.00 0.00 80 V 8.39 5.50 1.76 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 -0.18 0.00 0.00 0.94 0.00 0.00 81 H 8.61 5.07 0.00 3.11 3.02 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.70 5.05 0.00 1.72 1.66 0.00 3.35 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 83 I 8.32 4.71 2.22 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 1.02 0.00 0.00 84 G 9.00 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 0.00 0.00 0.00 85 P 0.00 5.08 0.00 1.98 2.05 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 86 L 9.48 5.00 0.00 1.80 1.69 1.07 0.85 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 87 Q 9.37 4.78 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 88 I 8.18 3.86 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.92 0.00 0.00 89 S 9.14 4.05 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 90 D 7.91 4.56 0.00 2.76 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 91 I 8.18 3.93 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.32 0.71 0.00 0.00 92 A 9.18 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.16 4.66 1.78 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 0.77 0.00 0.00 0.97 0.00 0.00 94 L 8.86 5.13 0.00 1.43 1.07 0.84 1.04 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 95 I 9.06 5.07 1.98 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 1.19 0.72 0.94 0.00 0.00 96 A 9.20 5.16 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 97 V 8.90 4.92 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 0.93 0.00 0.00 98 S 8.84 5.28 0.00 3.92 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 99 S 8.59 4.80 0.00 3.88 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 0.00 100 P 0.00 4.65 0.00 1.95 2.09 0.00 3.76 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 101 H 8.02 5.09 0.00 3.19 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.58 4.11 0.00 2.15 2.25 0.00 3.20 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 103 K 8.15 4.06 0.00 1.92 1.93 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.59 7.81 104 D 8.20 4.19 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.46 3.83 1.23 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 0.00 0.00 106 Y 7.98 4.03 0.00 3.18 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 0.00 107 R 7.96 3.77 0.00 1.14 1.82 0.00 3.35 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 108 A 7.03 2.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.73 4.18 0.00 2.89 2.90 0.00 0.00 6.84 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.14 3.81 0.00 2.17 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 2.27 2.23 0.00 111 Y 8.23 4.09 0.00 3.30 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 0.00 112 A 8.14 3.93 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 0.00 113 I 7.40 3.47 1.30 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 0.91 0.98 0.59 0.00 0.00 114 E 7.70 3.86 0.00 1.97 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 2.27 2.36 0.00 115 R 7.61 3.75 0.00 1.71 1.78 0.00 3.27 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.12 0.00 116 I 7.81 3.62 1.99 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 1.47 0.81 0.89 0.00 0.00 117 K 7.67 4.03 0.00 1.88 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.66 7.81 118 E 7.49 4.19 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 2.30 2.37 0.00 119 I 7.63 4.36 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.87 0.00 0.00 120 V 7.21 3.92 2.05 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 0.67 0.00 0.00 0.87 0.00 0.00 121 P 0.00 4.04 0.00 2.14 2.22 0.00 3.55 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 122 I 6.60 4.56 1.59 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.37 0.84 0.00 0.00 123 W 9.64 5.36 0.00 3.35 3.09 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 0.00 124 K 8.99 4.72 0.00 1.05 0.74 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.37 7.81 125 K 8.55 4.40 0.00 0.79 0.83 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.38 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.57 0.21 7.81 126 E 8.61 4.49 0.00 2.18 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 2.25 2.41 0.00 127 I 8.01 4.40 0.80 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.14 0.46 0.00 0.00 128 W 7.99 5.12 0.00 3.34 3.19 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 0.00 129 E 8.78 3.61 0.00 2.03 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 2.36 2.49 0.00 130 D 7.59 4.89 0.00 2.66 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 0.00 131 G 7.21 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 0.00 0.00 0.00 132 S 6.92 3.70 0.00 3.31 3.19 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 0.00 133 K 8.26 4.49 0.00 2.07 1.93 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 134 W 8.80 4.69 0.00 3.24 3.15 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 0.00 135 Q 9.55 4.45 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 136 G 9.48 4.44 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 0.00 0.00 0.00 137 H 9.17 4.26 0.00 3.20 3.46 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00