NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.6048 8.4449 117.7968 54.8823 30.4840 172.3052 3 W 4.7861 7.9961 119.1888 53.2911 31.2095 174.4617 4 S 4.8448 9.1061 118.5741 56.9052 67.3307 174.4514 5 A 4.4963 8.2027 121.9011 52.8685 18.9052 179.0377 6 E 3.8984 7.9429 118.2963 59.1742 29.8896 178.4508 7 E 4.0133 8.3409 118.7357 59.4001 29.6155 179.3741 8 K 3.7240 8.5349 118.9789 59.4188 31.9826 179.2111 9 Q 3.9528 8.1182 119.8597 59.1420 28.5084 178.1622 10 L 4.0242 7.6659 120.1733 57.6231 41.5776 179.6901 11 I 3.3527 7.5445 119.7855 64.5605 37.0631 178.5797 12 T 3.9747 7.8476 116.7993 66.6084 68.0391 176.9489 13 S 4.1887 8.1172 115.2556 61.4627 63.3068 176.4089 14 I 3.5804 7.6277 122.7399 63.8509 36.9710 178.2084 15 W 4.5257 8.8758 129.3770 60.4977 30.3296 177.8433 16 G 3.8443 8.2398 104.1604 46.3262 0.0000 173.9380 17 K 4.4325 7.8841 118.4848 55.9405 33.3761 176.1570 18 V 3.6926 7.2223 120.2857 61.5639 31.6843 175.6786 19 N 4.3284 8.3683 126.1411 53.2517 39.0039 175.3375 20 V 3.5379 8.1691 122.7444 64.1305 31.6273 178.4897 21 A 3.9458 7.7553 120.1451 55.1467 18.4107 179.0632 22 D 4.1527 7.8274 115.9534 57.8575 41.5335 178.1284 23 C 4.1515 8.1508 117.3214 62.3722 28.0494 176.4764 24 G 3.5642 7.8967 107.5329 47.6435 0.0000 175.6423 25 A 3.9854 7.9048 123.6391 54.8851 18.4286 179.3592 26 E 3.8362 8.3791 117.6557 59.1364 29.7141 178.7349 27 A 3.9295 7.9848 120.8422 55.3093 18.5343 179.4666 28 L 3.8936 7.9201 118.3126 57.9197 42.1406 178.8734 29 A 3.9423 7.9322 120.8178 55.4087 18.3300 179.8069 30 R 3.8037 7.9463 116.4501 59.1070 30.0243 178.9244 31 L 4.0224 7.8273 119.9850 58.4834 42.0231 179.2877 32 L 4.0424 7.8641 119.7394 56.6663 41.2200 179.4728 33 I 3.8295 7.2342 119.1680 63.8609 37.5248 178.0707 34 V 3.5828 8.0466 118.1202 64.4023 32.7030 175.7263 35 Y 4.0843 7.3543 117.2830 54.6486 37.7868 174.2879 36 P 4.7002 0.0000 0.0000 63.6772 31.6441 177.5300 37 W 4.4228 7.9810 115.7544 59.1886 27.8252 178.0576 38 T 4.3145 7.5066 110.8158 64.5126 68.1044 176.3890 39 Q 4.1550 8.0745 121.0734 58.8200 28.4119 178.2100 40 R 3.8046 7.5365 119.2585 59.8012 30.0402 178.2911 41 F 4.2120 7.7126 115.9766 59.0294 39.1016 175.9209 42 F 4.5573 7.9358 118.0149 56.6354 39.9320 177.7178 43 S 4.2083 8.2435 118.4679 61.4918 62.7846 175.9433 44 S 4.5240 8.0098 113.0604 59.6056 63.0332 175.0518 45 F 4.5786 8.3323 120.5352 59.6927 39.8157 175.0076 46 G 4.0542 7.1214 104.0167 44.1739 0.0000 176.3540 47 N 4.5320 8.9247 128.2178 53.5771 37.9304 174.0029 48 L 4.9193 8.1389 127.2946 54.5544 43.0866 178.7693 49 S 4.2782 8.2311 117.6896 60.8954 63.1015 175.0135 50 S 4.7835 7.6282 112.9331 55.4772 67.4083 174.5892 51 A 4.0049 8.4124 123.1531 55.4346 17.8033 179.9102 52 T 3.8071 7.8702 107.7043 64.8870 68.6924 176.5674 53 A 3.9988 7.5741 122.9016 54.7998 18.5758 179.4231 54 I 3.8347 7.8149 118.3195 64.7649 37.0089 178.8896 55 S 4.2254 7.9594 114.8056 61.0453 62.7566 176.1485 56 G 3.9845 7.5122 105.3513 43.6654 0.0000 173.3259 57 N 4.4027 7.5386 121.9617 52.7347 39.4866 173.7467 58 P 4.2395 0.0000 0.0000 66.1668 31.3006 178.2850 59 N 4.0243 8.0516 115.7328 55.5225 38.1570 177.6415 60 V 3.6677 7.6517 119.2770 66.0224 31.8597 178.0015 61 K 3.9014 7.9486 117.9751 59.5553 31.4947 179.2684 62 A 4.0208 7.9613 120.9972 55.2600 18.2370 179.1844 63 H 4.4540 8.4097 117.0859 59.0422 29.9996 177.5710 64 G 3.7045 8.4528 108.0440 47.8074 0.0000 175.2737 65 K 4.1101 7.8938 121.8136 59.3569 32.1020 178.7184 66 K 4.1395 7.6712 119.8002 58.8200 31.6880 179.0645 67 V 3.8210 7.9524 118.8371 66.0288 31.4712 178.0639 68 L 4.5228 8.2613 119.0254 57.8219 41.6498 179.4543 69 T 4.2114 8.1643 109.8769 64.7317 68.3732 176.7918 70 S 4.2321 8.0035 115.8620 61.1891 63.1841 176.4871 71 F 4.2943 8.2720 121.2343 60.2326 38.1944 177.7749 72 G 3.4481 8.4248 105.5767 47.7307 0.0000 175.4560 73 D 4.3452 7.8488 120.7003 56.7757 40.5326 178.5630 74 A 4.0688 7.3248 119.6734 54.8630 18.4657 179.4881 75 V 3.2888 7.1081 115.7555 65.7953 31.5412 178.0378 76 K 4.1350 7.4768 116.9401 57.6393 33.2313 176.9772 77 N 5.0768 7.6733 116.0026 52.0510 39.0190 175.8581 78 L 3.7843 7.6877 119.0352 57.8256 42.2091 179.0691 79 D 4.6968 7.9313 116.2752 55.7293 42.1153 175.6549 80 N 5.1259 7.8758 117.2439 52.0117 39.0275 175.1360 81 I 4.0740 7.6963 122.7636 64.3947 37.7174 178.2720 82 K 4.1245 8.2033 118.2776 59.4999 31.9687 179.0518 83 G 3.7557 8.0120 104.6089 47.8023 0.0000 175.5702 84 T 3.9648 7.4645 115.9510 65.8298 68.6426 175.8187 85 F 4.5856 7.8699 117.7369 57.3952 39.4539 177.9725 86 A 3.9997 7.8330 123.7308 55.4164 18.3453 180.4953 87 Q 3.9373 7.9064 116.0969 59.0299 28.9150 178.5977 88 L 4.0370 7.8448 119.5541 57.6255 41.6855 179.2809 89 S 4.2373 8.0430 114.6609 60.9076 62.3854 175.9590 90 E 3.9045 7.9309 121.9483 58.7120 29.3005 178.6384 91 L 3.8426 7.6823 120.5151 58.5675 42.2667 178.7289 92 H 4.2700 8.3664 116.2897 58.5990 27.6900 177.5758 93 C 3.8411 7.9432 119.6636 61.4621 28.0187 175.5102 94 D 4.6932 7.6622 118.0707 55.4661 41.2666 177.7379 95 K 4.2683 7.9027 116.7532 57.2820 33.1721 177.1891 96 L 4.4001 7.6995 116.7478 54.2366 43.3940 176.0655 97 H 4.1694 7.1974 114.9761 56.6594 26.3913 175.3245 98 V 3.9171 7.9173 117.9152 61.1307 32.6773 174.9776 99 D 4.1871 8.5459 127.1280 53.5056 41.9526 174.8790 100 P 3.6365 0.0000 0.0000 65.7980 31.8030 178.3065 101 E 3.9764 8.1360 117.1315 59.5006 29.2371 179.1360 102 N 4.3935 7.9788 116.4921 56.1705 38.5190 177.4102 103 F 4.5707 7.6353 119.4389 60.7282 38.9945 177.8996 104 R 4.0722 7.9839 117.3006 59.1813 29.9665 178.9294 105 L 3.9727 7.9756 118.9395 57.7087 41.4878 179.3413 106 L 4.2042 8.1622 120.4509 57.8692 42.0343 179.1652 107 G 3.7664 8.2503 105.8040 48.0669 0.0000 175.3669 108 D 4.4903 8.3107 121.7004 57.0117 40.8210 179.0147 109 I 3.6993 7.9609 120.2509 64.2992 37.1142 178.0047 110 L 3.8157 8.1265 121.4133 58.2702 41.7420 179.1202 111 V 3.5172 7.8457 117.8753 66.2628 31.4763 178.1277 112 I 3.6341 7.7164 119.3521 64.2649 36.8699 178.5814 113 I 3.6875 7.8220 120.8834 64.1573 36.9040 178.4155 114 L 3.8702 7.7746 119.7405 57.4954 41.3436 179.2827 115 A 3.3798 7.2282 120.4659 55.0303 18.0579 179.6077 116 A 3.8763 7.6196 117.7921 55.6186 18.5103 179.3165 117 H 4.0144 8.1226 113.6142 57.6746 29.2045 176.8983 118 F 4.7606 8.2115 117.7855 54.5162 40.5750 177.6781 119 G 3.9788 8.7851 107.5332 46.3902 0.0000 177.7011 120 K 4.1588 9.0792 124.0674 58.9294 32.0370 177.7292 121 D 4.5398 8.0088 117.9779 56.8914 41.0736 177.1436 122 F 4.4723 7.8597 122.3498 57.3139 37.6294 175.2941 123 T 4.2098 7.4723 115.8428 60.1061 71.2685 173.4512 124 P 4.2170 0.0000 0.0000 66.0399 31.3729 178.8083 125 E 3.9244 8.0453 116.6847 59.4724 29.5609 178.7648 126 C 4.0665 7.8689 118.7892 62.3565 31.4810 175.3745 127 Q 3.6308 8.1404 121.2109 59.0293 28.7490 178.0688 128 A 4.0014 8.1966 121.6705 55.1165 18.3700 179.5216 129 A 4.0313 7.9129 118.7175 55.2915 18.5316 180.0173 130 W 4.1324 8.2439 117.1969 59.7467 29.1250 178.7015 131 Q 4.1627 8.7593 120.1992 58.8929 28.4901 177.9919 132 K 3.9357 8.1335 120.5589 59.4222 32.2178 178.5656 133 L 4.2368 8.1869 120.5938 58.4919 42.0968 179.4398 134 V 4.0385 8.2744 112.5483 64.2158 31.4632 178.7606 135 R 4.0712 8.1852 116.3255 59.1271 29.4653 179.1169 136 V 3.6171 7.9686 119.0930 65.6370 31.5514 178.2119 137 V 3.0155 7.9923 117.9161 65.6871 31.4179 177.8364 138 A 3.8321 7.9825 120.4936 55.4507 18.0163 179.1196 139 H 4.1903 8.1594 115.4611 59.3704 29.7593 177.1194 140 A 4.0961 8.0592 122.6325 54.9181 17.6834 179.4852 141 L 3.9050 7.7823 117.1305 56.8009 41.6354 178.2671 142 A 4.7849 7.6118 118.9017 52.1865 17.3400 178.8035 143 R 3.8528 7.4858 117.8579 59.5416 30.0141 178.9818 144 K 4.0400 7.7014 115.7983 58.8306 32.5312 178.3626 145 Y 4.3710 7.8766 117.4502 61.3382 38.1174 175.5950 146 H 4.4918 7.3923 119.1971 56.2580 28.7025 175.3783 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 H 8.44 4.60 0.00 2.55 3.11 0.00 5.83 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.00 4.79 0.00 3.33 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 4 S 9.11 4.84 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 4.50 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 6 E 7.94 3.90 0.00 2.06 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 2.38 2.40 0.00 7 E 8.34 4.01 0.00 2.46 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 2.42 2.42 0.00 8 K 8.53 3.72 0.00 1.86 1.77 0.00 1.61 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.57 7.81 9 Q 8.12 3.95 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 10 L 7.67 4.02 0.00 1.79 1.72 0.95 0.79 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 11 I 7.54 3.35 1.43 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.18 0.11 0.00 0.00 12 T 7.85 3.97 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 13 S 8.12 4.19 0.00 4.05 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 14 I 7.63 3.58 2.40 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.03 0.47 0.00 0.00 15 W 8.88 4.53 0.00 3.84 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 16 G 8.24 3.84 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 0.00 17 K 7.88 4.43 0.00 2.21 2.03 0.00 2.03 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.56 7.81 18 V 7.22 3.69 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 0.33 0.00 0.00 1.10 0.00 0.00 19 N 8.37 4.33 0.00 2.75 2.58 0.00 0.00 7.17 7.71 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 20 V 8.17 3.54 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 0.80 0.00 0.00 0.90 0.00 0.00 21 A 7.76 3.95 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 22 D 7.83 4.15 0.00 2.74 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 23 C 8.15 4.15 0.00 2.99 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 24 G 7.90 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.90 3.99 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 26 E 8.38 3.84 0.00 2.11 1.92 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 2.27 2.29 0.00 27 A 7.98 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 28 L 7.92 3.89 0.00 1.81 1.65 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.93 3.94 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 30 R 7.95 3.80 0.00 2.06 1.94 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 31 L 7.83 4.02 0.00 1.84 1.89 1.02 0.78 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 32 L 7.86 4.04 0.00 1.72 1.69 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.23 3.83 1.85 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 1.37 0.51 0.84 0.00 0.00 34 V 8.05 3.58 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.78 0.00 0.00 35 Y 7.35 4.08 0.00 2.51 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 0.00 0.00 0.00 36 P 0.00 4.70 0.00 2.23 2.11 0.00 3.93 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 2.15 2.11 0.00 37 W 7.98 4.42 0.00 3.59 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.51 4.31 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 1.04 0.00 0.00 39 Q 8.07 4.16 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 40 R 7.54 3.80 0.00 1.67 1.75 0.00 3.10 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.53 0.00 41 F 7.71 4.21 0.00 2.66 2.46 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 42 F 7.94 4.56 0.00 2.77 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 0.00 0.00 0.00 0.00 43 S 8.24 4.21 0.00 4.02 4.12 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 44 S 8.01 4.52 0.00 4.12 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 45 F 8.33 4.58 0.00 3.25 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 46 G 7.12 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 47 N 8.92 4.53 0.00 2.70 2.81 0.00 0.00 6.60 7.78 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 48 L 8.14 4.92 0.00 1.67 1.64 1.07 1.07 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 49 S 8.23 4.28 0.00 3.87 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 50 S 7.63 4.78 0.00 3.98 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 51 A 8.41 4.00 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 52 T 7.87 3.81 4.23 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 1.20 0.00 0.00 53 A 7.57 4.00 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 54 I 7.81 3.83 1.87 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 1.55 0.89 0.91 0.00 0.00 55 S 7.96 4.23 0.00 3.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.51 3.98 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 0.00 0.00 0.00 57 N 7.54 4.40 0.00 2.91 2.83 0.00 0.00 6.85 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 58 P 0.00 4.24 0.00 2.23 2.25 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 59 N 8.05 4.02 0.00 2.36 1.42 0.00 0.00 6.59 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 60 V 7.65 3.67 2.26 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 1.17 0.00 0.00 1.11 0.00 0.00 61 K 7.95 3.90 0.00 1.96 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.60 7.81 62 A 7.96 4.02 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 63 H 8.41 4.45 0.00 3.57 3.56 0.00 5.80 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 64 G 8.45 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.89 4.11 0.00 1.86 2.04 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 66 K 7.67 4.14 0.00 2.10 1.90 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.35 7.81 67 V 7.95 3.82 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.00 0.00 0.00 68 L 8.26 4.52 0.00 1.97 2.03 1.00 0.73 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 69 T 8.16 4.21 4.35 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 1.40 0.00 0.00 70 S 8.00 4.23 0.00 4.06 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 0.00 71 F 8.27 4.29 0.00 3.38 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 72 G 8.42 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.85 4.35 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.32 4.07 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.11 3.29 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 0.67 0.00 0.00 0.03 0.00 0.00 76 K 7.48 4.14 0.00 1.72 1.80 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.64 7.81 77 N 7.67 5.08 0.00 2.70 2.69 0.00 0.00 6.89 6.77 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 78 L 7.69 3.78 0.00 1.21 0.73 0.33 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.93 4.70 0.00 2.69 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 80 N 7.88 5.13 0.00 2.78 2.65 0.00 0.00 7.05 7.84 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 81 I 7.70 4.07 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.95 0.00 0.00 82 K 8.20 4.12 0.00 1.77 1.92 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.58 7.81 83 G 8.01 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 84 T 7.46 3.96 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 0.83 0.00 0.00 85 F 7.87 4.59 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.83 4.00 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 87 Q 7.91 3.94 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 88 L 7.84 4.04 0.00 1.78 1.85 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.04 4.24 0.00 4.13 4.02 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 90 E 7.93 3.90 0.00 2.00 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 2.26 2.34 0.00 91 L 7.68 3.84 0.00 1.78 1.74 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.37 4.27 0.00 3.28 3.59 0.00 5.66 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 93 C 7.94 3.84 0.00 2.58 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 0.00 0.00 0.00 0.00 94 D 7.66 4.69 0.00 2.79 2.67 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 95 K 7.90 4.27 0.00 1.94 1.82 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.40 7.81 96 L 7.70 4.40 0.00 1.84 1.74 0.83 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.20 4.17 0.00 3.63 3.46 0.00 5.64 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.92 3.92 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 0.24 0.00 0.00 0.39 0.00 0.00 99 D 8.55 4.19 0.00 2.73 2.43 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 0.00 100 P 0.00 3.64 0.00 2.13 2.19 0.00 3.32 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.02 0.00 101 E 8.14 3.98 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 2.29 2.45 0.00 102 N 7.98 4.39 0.00 2.63 2.83 0.00 0.00 6.95 8.24 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 0.00 103 F 7.64 4.57 0.00 3.21 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 0.00 104 R 7.98 4.07 0.00 2.16 2.03 0.00 3.41 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 105 L 7.98 3.97 0.00 1.72 1.34 0.60 0.22 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 0.00 106 L 8.16 4.20 0.00 1.93 1.84 1.01 1.24 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 0.00 107 G 8.25 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 0.00 108 D 8.31 4.49 0.00 2.98 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 0.00 109 I 7.96 3.70 2.07 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.96 0.00 0.00 110 L 8.13 3.82 0.00 1.68 1.75 0.75 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.85 3.52 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.17 0.00 0.00 112 I 7.72 3.63 1.98 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 1.53 0.77 0.87 0.00 0.00 113 I 7.82 3.69 1.89 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 1.47 0.73 0.83 0.00 0.00 114 L 7.77 3.87 0.00 1.04 1.12 -0.33 0.50 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 0.00 115 A 7.23 3.38 1.17 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 0.00 0.00 0.00 116 A 7.62 3.88 1.26 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 0.00 0.00 117 H 8.12 4.01 0.00 2.96 2.65 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.21 4.76 0.00 3.24 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 0.00 119 G 8.79 3.98 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 0.00 0.00 0.00 120 K 9.08 4.16 0.00 1.81 1.94 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 121 D 8.01 4.54 0.00 3.10 2.84 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 0.00 122 F 7.86 4.47 0.00 3.03 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 0.00 123 T 7.47 4.21 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 1.30 0.00 0.00 124 P 0.00 4.22 0.00 2.16 2.16 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 E 8.05 3.92 0.00 2.02 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 2.39 2.41 0.00 126 C 7.87 4.07 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.14 3.63 0.00 1.77 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 128 A 8.20 4.00 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 0.00 129 A 7.91 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 0.00 130 W 8.24 4.13 0.00 3.63 3.45 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 0.00 0.00 0.00 0.00 131 Q 8.76 4.16 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 132 K 8.13 3.94 0.00 2.04 2.16 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.16 1.25 7.81 133 L 8.19 4.24 0.00 1.73 1.81 0.77 0.43 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 0.00 134 V 8.27 4.04 2.31 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 1.12 0.00 0.00 1.17 0.00 0.00 135 R 8.19 4.07 0.00 2.11 2.39 0.00 2.77 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.63 0.00 136 V 7.97 3.62 2.26 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 1.10 0.00 0.00 0.96 0.00 0.00 137 V 7.99 3.02 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 -0.20 0.00 0.00 0.64 0.00 0.00 138 A 7.98 3.83 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.16 4.19 0.00 3.29 3.51 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.06 4.10 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 0.00 141 L 7.78 3.91 0.00 1.05 0.65 0.25 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.61 4.78 1.58 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 0.00 143 R 7.49 3.85 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 144 K 7.70 4.04 0.00 1.56 1.73 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.55 7.81 145 Y 7.88 4.37 0.00 3.10 2.84 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 0.00 146 H 7.39 4.49 0.00 3.24 3.24 0.00 5.69 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