NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1650 8.3149 121.7856 55.4879 34.2060 175.2256 5 I 4.1032 7.4889 120.6776 59.2892 38.0901 172.3617 6 E 4.4991 9.2019 126.3312 54.6814 32.0209 175.6247 7 Q 3.8710 8.2550 120.7559 54.7839 29.4260 174.8492 8 P 3.9266 0.0000 0.0000 61.8672 31.9201 177.6190 9 R 3.7878 8.0062 118.9928 58.7226 30.0549 177.7125 10 W 4.5784 7.1430 111.9134 55.9614 28.7958 176.2517 11 A 4.1078 7.0672 122.9163 52.5757 18.2179 177.7432 12 S 4.3007 9.0315 116.4901 58.6609 63.0225 174.0300 13 K 4.3209 8.5383 124.5602 56.3042 32.3791 175.8199 14 D 4.6995 8.1507 121.0591 52.9726 41.6563 177.2059 15 S 4.1902 8.8352 123.5696 61.7763 62.6347 176.5157 16 A 4.0757 8.4750 123.1230 54.8444 17.9778 179.5005 17 A 4.1266 8.3697 119.7723 54.5231 18.2143 178.9637 18 G 4.0520 7.7417 100.9764 43.2214 0.0000 173.3119 19 A 4.7737 6.8859 123.1410 49.4742 21.6487 176.3544 20 A 4.2481 8.5144 124.0892 52.7131 18.8211 177.8439 21 S 4.7404 9.3404 117.7299 57.9059 64.6227 174.4032 22 T 4.7522 7.3603 110.5101 58.3884 73.1587 172.6717 23 P 4.2054 0.0000 0.0000 66.0346 31.3785 178.7331 24 D 4.3254 8.0174 117.0539 57.3986 40.7961 178.5107 25 E 3.9208 8.3081 119.0945 59.2313 29.4243 179.5285 26 K 3.9451 8.2048 118.6455 59.4934 32.0186 179.4095 27 I 3.8712 7.6048 119.7959 64.3737 36.9255 178.6223 28 V 3.1382 7.5874 119.0221 65.9047 31.2650 178.1400 29 L 3.8598 7.8726 118.6368 57.5899 41.3720 179.2924 30 E 3.9609 8.2554 118.7600 59.3580 29.2803 179.1463 31 F 3.4384 8.2995 120.9386 61.1871 39.0785 177.0234 32 M 3.7469 7.7848 117.6455 58.4808 31.5532 178.1437 33 D 4.3763 8.0871 118.6840 57.2668 40.8990 178.6862 34 A 3.6842 7.7686 120.9514 54.5190 18.3009 179.3987 35 L 3.7779 7.3178 118.1431 58.1062 41.4500 179.1448 36 T 4.5390 7.3819 108.5999 62.7273 68.8322 176.2282 37 S 4.0912 7.9483 117.4490 59.2871 63.1358 173.8158 38 N 3.1400 7.4682 118.0952 53.5354 36.4850 174.3245 39 D 4.6003 7.1460 116.9330 51.8561 43.0528 174.7007 40 A 4.2025 8.6514 129.7892 55.1688 18.3139 178.7571 41 A 4.0053 8.0676 118.1045 55.0291 18.5034 179.3910 42 K 4.1299 8.3480 118.1095 59.8168 32.3862 179.2399 43 L 4.4491 8.3928 119.4782 57.8036 41.5912 179.2176 44 I 4.0223 8.3175 118.5361 63.7319 37.6519 177.5718 45 E 4.1523 7.9968 118.3177 59.1041 29.5170 178.0238 46 Y 3.9895 8.5915 116.2355 58.4004 38.1025 174.9504 47 F 4.9353 7.7778 118.8679 55.5797 40.6096 175.6277 48 A 4.3036 8.3583 126.5443 51.8333 18.9998 177.6235 49 E 4.0866 9.0018 118.5786 59.2634 30.7993 176.6663 50 D 4.8197 8.0413 120.0742 53.7366 41.6799 175.7014 51 T 5.1613 8.5429 117.3582 62.4887 71.5829 171.3918 52 M 5.1874 8.4333 118.8286 54.2878 34.6762 173.0147 53 Y 5.4606 8.7264 120.8778 56.1914 42.8420 173.7785 54 Q 4.0714 8.6962 127.0909 54.3783 33.1039 173.1544 55 N 4.7354 7.8782 124.0833 52.7073 38.8541 175.6682 56 M 3.7469 8.3285 125.6563 57.6477 32.0763 176.6169 57 P 4.1853 0.0000 0.0000 63.8172 31.6723 175.5401 58 L 4.7841 7.5668 117.4457 51.6084 45.4276 174.4773 59 P 4.3385 0.0000 0.0000 61.8705 31.8060 174.8910 60 P 4.4861 0.0000 0.0000 62.6578 32.7445 175.0288 61 A 4.7295 8.5611 122.8805 50.3890 21.3941 174.9867 62 Y 4.8307 8.9314 120.2011 57.2454 40.4362 176.7421 63 G 4.1244 9.4728 110.4422 46.0012 0.0000 174.3885 64 R 3.8928 8.4795 120.7624 59.2628 29.9918 179.0119 65 D 4.3078 8.1028 118.0112 57.3560 40.9672 178.2975 66 A 3.9856 8.0318 120.7546 55.1031 18.3397 179.6313 67 V 3.5136 7.7740 116.6358 66.1810 31.5299 177.8078 68 E 3.8945 8.2650 119.1481 59.5631 29.4554 178.8755 69 Q 4.0146 8.3149 118.0406 58.9911 28.6479 178.9217 70 T 3.8357 7.9990 116.9352 66.6512 68.5198 176.7669 71 L 3.8292 8.0868 120.6889 57.6897 41.4045 179.4331 72 A 4.2388 8.2532 120.2313 55.1073 18.5950 179.6817 73 G 3.6501 8.0994 104.2235 47.7715 0.0000 175.5096 74 L 3.8788 8.1234 123.5490 57.9431 41.8588 178.5845 75 F 5.2355 7.7513 115.4312 58.4890 39.0757 177.2082 76 T 4.2057 7.8795 115.8279 65.5481 68.6217 175.4446 77 V 4.4971 7.7216 112.8112 61.7331 34.4408 175.5068 78 M 5.3658 8.5524 116.6457 53.7576 35.2241 173.8688 79 S 5.0816 9.1806 115.1138 56.8300 65.1790 173.2371 80 I 4.5865 9.2204 128.5741 60.7653 36.9000 176.0475 81 D 4.6020 9.1717 128.5112 56.3598 41.5857 176.8906 82 A 4.4876 7.4745 117.0511 51.0843 22.4969 175.3896 83 V 4.7131 8.2641 119.1592 61.1114 34.8205 174.1183 84 E 4.4641 9.0339 128.4269 54.6096 32.5010 174.2833 85 T 4.4587 8.2416 123.7379 62.2026 68.9057 174.5904 86 F 4.6059 8.6473 126.9490 60.2461 40.2731 175.7391 87 H 5.5022 8.2573 114.2714 54.1038 32.9305 172.5153 88 I 5.1924 8.9408 122.1829 59.7479 41.3667 174.1075 89 G 4.4365 9.0058 114.7167 46.1431 0.0000 171.4052 90 S 5.4047 8.4409 112.1149 58.2118 65.4065 174.6196 91 S 4.6116 9.5379 115.7047 58.9340 66.9844 174.4989 92 N 4.2785 9.9346 118.0219 54.5217 35.8625 175.5732 93 G 3.9668 8.5069 103.5776 45.2495 0.0000 173.0894 94 L 4.9766 8.0774 120.0312 52.6201 44.9553 175.5155 95 V 4.7227 8.6928 123.6083 61.4430 33.9752 173.9153 96 Y 5.5648 9.2716 125.2404 56.4294 41.3520 174.6946 97 T 5.2146 9.3474 113.1596 59.9987 72.2340 172.1115 98 E 5.2462 9.4616 127.7941 54.6339 31.5682 174.7921 99 R 4.8863 9.4238 122.9905 54.7762 34.0990 173.6977 100 V 4.8345 8.2381 118.7350 61.1567 34.5270 173.6468 101 D 5.2222 8.7347 127.2616 52.4743 43.6949 175.3991 102 V 4.3213 8.7370 124.3900 62.0680 32.7972 174.4265 103 L 5.2342 8.8114 128.8540 52.9205 44.4165 175.4781 104 R 5.0791 9.0366 124.1113 54.2865 32.9706 174.2969 105 A 4.6143 9.1052 129.4830 51.7827 17.9205 178.0783 106 L 3.9935 9.2723 124.3279 57.5726 42.2146 178.3586 107 P 4.4689 0.0000 0.0000 64.5789 31.4956 176.9644 108 T 4.3816 7.2628 103.2358 60.3132 70.2951 175.4975 109 G 3.9723 8.3557 109.4536 45.3657 0.0000 173.6842 110 K 4.4785 7.6925 119.2690 56.0136 33.5797 176.1986 111 S 5.4826 8.6057 118.0166 57.2602 66.8640 172.7307 112 Y 4.8489 8.9227 121.7193 56.4603 42.6062 173.7698 113 N 4.6425 8.0147 123.8586 52.1213 39.3020 173.9688 114 L 4.3852 8.4031 127.8371 53.5176 43.7531 175.5439 115 S 5.0774 8.7098 123.1047 58.3658 63.7553 173.7464 116 I 5.1079 9.0814 125.1314 59.4190 41.5528 174.0040 117 L 5.3115 9.0662 127.6789 53.3905 44.5590 175.4368 118 G 5.0697 9.8177 112.8463 43.3082 0.0000 171.5737 119 V 5.0966 8.8517 119.9180 59.6924 34.9258 174.5560 120 F 5.2415 9.3931 121.6635 55.7687 43.1934 173.3449 121 Q 5.1050 9.1668 124.5547 53.5434 31.1100 173.9400 122 L 5.2329 8.5781 125.9538 53.1976 44.6395 176.0145 123 T 4.4384 8.7865 120.1374 62.6955 70.5886 174.1477 124 E 3.8385 9.9719 127.0683 57.4108 27.1831 175.9434 125 G 3.9047 8.4933 104.0152 45.3831 0.0000 173.9782 126 K 4.6134 7.6183 118.8993 54.0681 35.0171 175.3111 127 I 4.3794 8.3822 124.1442 61.6071 37.5471 176.5824 128 T 4.5240 9.2319 117.7888 62.0760 70.7316 174.5587 129 G 4.4785 7.8067 107.8819 45.1912 0.0000 172.4154 130 W 5.6355 9.0755 133.3618 56.0361 34.3213 173.6437 131 R 4.8610 9.2623 126.5689 54.4712 33.1537 174.0976 132 D 5.3853 8.6363 123.9695 52.8047 43.7075 174.8094 133 Y 4.6734 8.9835 121.6357 56.3488 40.4178 174.9746 134 F 4.9661 7.9425 117.3327 56.7905 40.6939 172.3327 135 D 4.7445 9.0374 118.9340 53.1238 42.0733 176.1963 136 L 4.5601 8.5662 128.1956 57.9897 42.2866 178.5821 137 R 3.8639 7.9421 118.2495 59.5070 30.1061 178.1784 138 E 3.8987 8.4986 118.4226 59.1542 29.5480 179.0387 139 F 3.2783 8.0207 120.1002 61.2240 39.5942 176.6719 140 E 3.7379 8.1454 118.0857 59.6112 29.0408 179.4264 141 E 3.9260 8.1016 117.1421 59.2955 29.5652 179.0068 142 A 4.1721 7.7868 120.0596 54.1961 18.5466 179.0232 143 V 4.1689 7.3526 107.3801 60.1131 32.8948 175.2680 144 D 4.3653 8.1484 117.3653 55.0416 38.3499 174.0491 145 L 4.4362 7.5533 119.4484 52.5213 44.9349 173.4613 146 P 4.4909 0.0000 0.0000 62.5564 30.8344 176.3596 147 L 4.3340 8.6705 123.1947 55.1663 41.7229 177.8695 148 R 4.2958 8.9696 117.0260 55.4351 30.4651 176.5950 149 G 3.3913 7.3267 112.9489 45.1460 0.0000 173.4717 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 8.31 4.16 0.00 1.72 1.85 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.40 7.81 5 I 7.49 4.10 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 1.00 0.00 0.00 6 E 9.20 4.50 0.00 1.88 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 0.00 2.20 2.32 0.00 7 Q 8.25 3.87 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 8 P 0.00 3.93 0.00 0.49 0.71 0.00 2.63 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 9 R 8.01 3.79 0.00 1.77 2.01 0.00 3.16 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 10 W 7.14 4.58 0.00 3.41 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 11 A 7.07 4.11 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 12 S 9.03 4.30 0.00 3.87 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 13 K 8.54 4.32 0.00 1.80 1.82 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.43 7.81 14 D 8.15 4.70 0.00 2.70 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 15 S 8.84 4.19 0.00 3.92 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 16 A 8.47 4.08 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 17 A 8.37 4.13 1.47 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 0.00 0.00 0.00 18 G 7.74 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 19 A 6.89 4.77 1.22 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 0.00 0.00 0.00 20 A 8.51 4.25 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 21 S 9.34 4.74 0.00 3.82 3.86 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 22 T 7.36 4.75 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 1.27 0.00 0.00 23 P 0.00 4.21 0.00 2.16 2.13 0.00 3.59 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 2.10 2.17 0.00 24 D 8.02 4.33 0.00 2.65 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 25 E 8.31 3.92 0.00 2.14 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 2.32 2.34 0.00 26 K 8.20 3.95 0.00 1.93 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 27 I 7.60 3.87 1.93 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 1.38 0.79 0.89 0.00 0.00 28 V 7.59 3.14 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 0.15 0.00 0.00 0.37 0.00 0.00 29 L 7.87 3.86 0.00 1.68 1.63 0.91 0.63 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 30 E 8.26 3.96 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 31 F 8.30 3.44 0.00 2.21 2.70 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 32 M 7.78 3.75 0.00 1.88 2.09 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 33 D 8.09 4.38 0.00 2.83 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 34 A 7.77 3.68 1.27 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 0.00 0.00 0.00 35 L 7.32 3.78 0.00 1.63 1.73 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.38 4.54 4.19 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 1.19 0.00 0.00 37 S 7.95 4.09 0.00 3.95 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 38 N 7.47 3.14 0.00 2.61 2.50 0.00 0.00 6.69 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 39 D 7.15 4.60 0.00 2.68 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.65 4.20 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.07 4.01 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 42 K 8.35 4.13 0.00 1.91 2.05 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.57 7.81 43 L 8.39 4.45 0.00 2.00 2.14 1.11 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 44 I 8.32 4.02 2.07 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.29 1.11 0.00 0.00 45 E 8.00 4.15 0.00 2.14 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 2.59 2.51 0.00 46 Y 8.59 3.99 0.00 2.85 2.39 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 47 F 7.78 4.94 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.36 4.30 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 49 E 9.00 4.09 0.00 1.95 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 0.00 2.44 2.32 0.00 50 D 8.04 4.82 0.00 2.61 2.70 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 51 T 8.54 5.16 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 1.41 0.00 0.00 52 M 8.43 5.19 0.00 1.91 1.45 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 53 Y 8.73 5.46 0.00 3.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.70 4.07 0.00 1.78 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 55 N 7.88 4.74 0.00 2.44 2.79 0.00 0.00 7.14 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 56 M 8.33 3.75 0.00 1.26 1.39 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.82 0.00 57 P 0.00 4.19 0.00 1.82 1.90 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.66 0.00 58 L 7.57 4.78 0.00 1.47 1.40 0.88 0.86 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 59 P 0.00 4.34 0.00 1.97 1.94 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 60 P 0.00 4.49 0.00 1.67 2.06 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 61 A 8.56 4.73 1.22 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 0.00 0.00 0.00 62 Y 8.93 4.83 0.00 2.86 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 63 G 9.47 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 0.00 0.00 0.00 64 R 8.48 3.89 0.00 2.30 1.98 0.00 3.38 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 65 D 8.10 4.31 0.00 2.74 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 66 A 8.03 3.99 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 67 V 7.77 3.51 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 0.38 0.00 0.00 0.98 0.00 0.00 68 E 8.26 3.89 0.00 2.13 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 0.00 2.34 2.39 0.00 69 Q 8.31 4.01 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 70 T 8.00 3.84 4.49 0.00 0.00 0.00 0.00 0.00 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 71 L 8.09 3.83 0.00 1.89 1.84 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.25 4.24 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 73 G 8.10 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.88 0.00 1.56 1.53 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.75 5.24 0.00 3.10 2.97 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 76 T 7.88 4.21 4.43 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 1.24 0.00 0.00 77 V 7.72 4.50 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.99 0.00 0.00 78 M 8.55 5.37 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 79 S 9.18 5.08 0.00 3.93 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 80 I 9.22 4.59 2.12 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 1.34 1.56 0.93 0.00 0.00 81 D 9.17 4.60 0.00 2.54 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 82 A 7.47 4.49 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.26 4.71 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 0.81 0.00 0.00 0.88 0.00 0.00 84 E 9.03 4.46 0.00 1.89 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 1.70 2.08 0.00 85 T 8.24 4.46 4.16 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 1.23 0.00 0.00 86 F 8.65 4.61 0.00 2.97 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 87 H 8.26 5.50 0.00 3.23 3.24 0.00 5.58 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 88 I 8.94 5.19 1.91 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 1.19 1.12 0.94 0.00 0.00 89 G 9.01 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 90 S 8.44 5.40 0.00 3.98 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 91 S 9.54 4.61 0.00 3.98 3.81 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 0.00 0.00 0.00 0.00 92 N 9.93 4.28 0.00 2.90 2.91 0.00 0.00 7.07 7.65 0.00 0.00 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 G 8.51 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 94 L 8.08 4.98 0.00 1.53 1.07 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.69 4.72 2.08 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 1.01 0.00 0.00 0.89 0.00 0.00 96 Y 9.27 5.56 0.00 3.02 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 97 T 9.35 5.21 4.38 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 1.26 0.00 0.00 98 E 9.46 5.25 0.00 2.26 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 2.70 2.44 0.00 99 R 9.42 4.89 0.00 1.93 1.90 0.00 2.79 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 100 V 8.24 4.83 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 0.99 0.00 0.00 1.17 0.00 0.00 101 D 8.73 5.22 0.00 2.58 2.47 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 0.00 102 V 8.74 4.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 103 L 8.81 5.23 0.00 1.42 1.73 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 104 R 9.04 5.08 0.00 1.98 1.81 0.00 3.12 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 105 A 9.11 4.61 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 0.00 106 L 9.27 3.99 0.00 1.62 1.76 1.05 0.82 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 0.00 107 P 0.00 4.47 0.00 2.03 2.11 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 108 T 7.26 4.38 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 1.29 0.00 0.00 109 G 8.36 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 0.00 110 K 7.69 4.48 0.00 1.80 1.79 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.60 7.81 111 S 8.61 5.48 0.00 3.76 3.78 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 0.00 0.00 0.00 0.00 112 Y 8.92 4.85 0.00 3.14 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 0.00 113 N 8.01 4.64 0.00 2.30 2.58 0.00 0.00 6.88 7.85 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 0.00 114 L 8.40 4.39 0.00 1.40 1.37 1.02 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.71 5.08 0.00 3.94 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 0.00 116 I 9.08 5.11 1.99 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 1.07 0.92 1.17 0.00 0.00 117 L 9.07 5.31 0.00 1.86 1.59 1.08 0.91 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 0.00 118 G 9.82 5.07 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 0.00 119 V 8.85 5.10 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 0.91 0.00 0.00 0.57 0.00 0.00 120 F 9.39 5.24 0.00 2.82 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 0.00 121 Q 9.17 5.10 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 122 L 8.58 5.23 0.00 1.47 1.48 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.79 4.44 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 1.22 0.00 0.00 124 E 9.97 3.84 0.00 2.05 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 2.22 2.28 0.00 125 G 8.49 3.90 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 0.00 0.00 0.00 126 K 7.62 4.61 0.00 1.75 1.73 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.48 7.81 127 I 8.38 4.38 0.80 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.45 0.79 0.00 0.00 128 T 9.23 4.52 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 129 G 7.81 4.48 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 0.00 0.00 0.00 130 W 9.08 5.64 0.00 3.39 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 0.00 131 R 9.26 4.86 0.00 1.86 1.65 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 132 D 8.64 5.39 0.00 2.59 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 0.00 133 Y 8.98 4.67 0.00 3.07 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 0.00 134 F 7.94 4.97 0.00 3.07 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 0.00 135 D 9.04 4.74 0.00 2.74 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 0.00 136 L 8.57 4.56 0.00 1.83 1.65 1.15 0.89 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 0.00 137 R 7.94 3.86 0.00 1.91 1.92 0.00 3.37 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 138 E 8.50 3.90 0.00 2.09 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 2.40 2.57 0.00 139 F 8.02 3.28 0.00 2.85 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 0.00 140 E 8.15 3.74 0.00 2.12 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 2.26 2.41 0.00 141 E 8.10 3.93 0.00 1.87 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 2.31 2.43 0.00 142 A 7.79 4.17 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 0.00 143 V 7.35 4.17 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 1.10 0.00 0.00 0.77 0.00 0.00 144 D 8.15 4.37 0.00 2.85 2.76 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 0.00 145 L 7.55 4.44 0.00 1.42 1.31 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.49 0.00 2.21 2.15 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 147 L 8.67 4.33 0.00 1.76 1.63 0.10 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.97 4.30 0.00 1.75 1.90 0.00 3.17 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 149 G 7.33 3.39 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 0.00