NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3691 8.3344 115.4118 57.8766 64.2220 173.7516 2 M 4.0263 8.3773 121.3360 56.1110 29.7414 174.0973 3 Q 4.3480 8.3529 120.9213 55.7935 30.7537 176.2603 4 D 4.4827 7.4227 118.1939 51.5362 42.6287 173.0072 5 P 4.1603 0.0000 0.0000 65.4278 31.5613 178.2915 6 I 3.5990 7.8237 118.9337 64.1798 37.0611 177.7447 7 A 3.9057 8.5113 121.7526 55.2421 18.1786 178.8581 8 D 4.2941 7.4869 117.2782 57.0307 41.0173 178.0746 9 M 3.9253 7.4919 116.4142 58.8161 32.4767 177.7567 10 L 4.0617 7.7780 118.9359 58.1771 41.5296 179.5536 11 T 3.8483 8.3001 109.8702 65.1418 68.5640 176.2973 12 R 3.9959 8.5157 121.0130 59.0187 30.0136 179.1614 13 I 3.7036 7.6477 119.7201 64.3167 37.2934 178.5373 14 R 3.8883 7.8797 116.4087 59.5250 28.9770 178.3407 15 N 4.4331 8.2882 116.5832 55.7851 38.7438 177.4115 16 G 3.7560 8.0651 106.8095 48.1615 0.0000 175.1890 17 Q 4.0142 8.6812 120.9944 59.0484 28.6084 179.6494 18 A 4.2565 8.0660 121.7486 54.6029 18.8544 178.0303 19 A 4.3466 8.3946 118.0446 51.6674 19.1728 178.4299 20 N 4.3342 8.6718 112.2881 52.9924 37.4296 174.8144 21 K 3.7350 7.7163 117.1474 56.8884 32.2418 175.9832 22 A 3.9838 8.7598 126.6926 55.1332 18.4379 177.1302 23 A 5.0207 7.5790 113.6862 50.2714 23.2502 174.2822 24 V 4.7514 9.2416 117.3127 60.4801 35.0941 174.8769 25 T 5.6232 8.5145 110.4240 59.2395 72.5152 172.3152 26 M 4.3255 8.0444 118.9952 54.0945 33.7562 172.2615 27 P 4.8685 0.0000 0.0000 62.5339 31.8506 176.5889 28 S 4.6566 8.7408 120.1602 57.7286 64.8700 173.2952 29 S 4.6349 8.6481 110.9476 56.8762 64.6132 177.9252 30 K 4.1591 7.9755 122.5866 59.5515 31.9424 178.5193 31 L 3.9083 7.9043 119.8319 58.3109 42.0770 178.8130 32 K 3.8065 7.5377 117.4434 59.6524 31.9946 179.2400 33 V 3.4681 7.8791 117.7959 65.9728 31.5183 177.5716 34 A 3.9540 7.7690 120.0667 55.4606 18.1363 179.6990 35 I 3.5075 7.7386 117.5438 64.5790 37.1244 178.4697 36 A 3.7407 7.9706 121.7793 54.9531 17.9663 179.1971 37 N 3.8731 8.2090 115.6820 56.8862 39.2399 177.2192 38 V 3.6621 7.6283 119.5530 66.1430 31.4526 177.9658 39 L 4.2128 8.0949 118.5726 57.0832 41.2917 179.2648 40 K 4.2055 7.6722 119.4973 59.2415 32.2746 178.6134 41 E 3.9999 8.4804 117.6826 58.8397 29.4198 178.2397 42 E 4.3335 8.0304 116.0785 55.3458 30.5641 175.6612 43 G 3.5790 8.1129 106.6880 46.9384 0.0000 174.3657 44 F 4.8436 8.4291 117.8914 57.0016 41.3641 176.5686 45 I 4.6078 7.4819 112.4980 58.9981 39.8092 174.9474 46 E 4.0889 8.4160 125.4814 59.4762 29.3043 176.9160 47 D 4.8059 8.2846 118.1197 55.8156 45.2200 172.9194 48 F 5.0179 7.9945 108.1346 56.5365 39.9679 173.0497 49 K 4.5883 9.1478 122.8355 54.6334 36.4889 175.2598 50 V 4.7616 8.0994 121.5710 58.6339 32.7993 174.8428 51 E 4.2079 8.5786 129.2504 56.2631 31.7315 175.4068 52 G 4.6744 8.6844 106.8800 46.6134 0.0000 171.5723 53 D 4.7725 8.0326 116.2132 55.9743 43.5303 177.9630 54 T 3.9642 7.7664 114.3044 63.7261 68.1669 174.4471 55 K 4.4444 7.7000 120.7290 53.2403 33.1788 172.7422 56 P 4.7794 0.0000 0.0000 62.9370 32.2456 175.4675 57 E 5.1233 9.1017 125.5523 55.0701 33.4507 174.5296 58 L 4.7609 7.9492 118.8600 54.4966 44.3655 173.8095 59 E 4.5196 9.4901 125.4266 55.9630 28.1915 173.3757 60 L 4.9382 8.9214 124.8975 53.7528 43.7255 174.9810 61 T 4.6283 8.3656 118.4603 61.1190 70.1818 174.7802 62 L 4.6158 8.2037 124.8891 54.1507 43.3431 176.0319 63 K 4.7676 8.2430 120.8699 54.9416 35.5965 174.5550 64 Y 5.0250 8.6618 123.4110 55.9023 42.3757 174.1546 65 F 4.7446 9.0024 130.0653 59.6943 39.0660 177.1945 66 Q 4.1537 8.6446 128.5865 55.9764 28.4886 177.9184 67 G 4.0472 8.5276 114.3645 46.7248 0.0000 171.9579 68 K 4.6496 8.2903 120.8652 54.4253 35.7187 174.5554 69 A 4.8743 8.2782 122.6075 50.3652 20.8208 177.6119 70 V 3.7347 7.9549 120.3736 66.1377 31.6606 178.1993 71 V 3.9342 7.2149 121.6635 62.4308 29.1681 175.1078 72 E 4.1627 8.3958 122.5958 57.6141 30.6929 177.6002 73 S 4.4415 8.0666 111.5401 57.5187 66.7465 174.5820 74 I 4.3154 8.3763 127.9278 60.3496 39.9646 173.4302 75 Q 4.7141 8.5088 128.0067 53.7463 32.7765 175.2564 76 R 4.0317 8.4259 121.6599 56.7347 30.6486 174.0473 77 V 3.8646 7.9030 119.7712 63.8886 33.1704 176.4510 78 S 4.4763 7.4732 119.0244 57.5416 60.1186 173.4224 79 R 4.2289 7.6182 120.2754 53.7150 31.3974 174.8951 80 P 4.3529 0.0000 0.0000 62.7856 31.9306 176.4335 81 G 4.0011 8.5240 103.2957 45.6048 0.0000 173.7279 82 L 4.7072 6.9487 116.3392 54.8539 44.3884 173.8287 83 R 4.1835 8.0160 120.8944 55.6427 31.0501 176.3458 84 I 4.6713 8.1717 119.9591 60.1182 41.1350 173.9668 85 Y 5.0087 8.9211 124.1885 56.1297 40.1273 175.0303 86 K 4.7726 8.9295 122.0588 54.8095 36.4220 174.9162 87 R 4.8742 8.2482 119.0361 54.0385 32.9845 177.6039 88 K 3.8078 8.8346 120.3398 59.9343 32.4430 177.4536 89 D 4.9454 7.7567 118.0030 52.0886 39.6264 176.1314 90 E 4.6059 8.6012 117.9079 57.7516 34.5266 174.9989 91 L 3.8367 8.0748 117.4281 54.1277 41.9147 175.3189 92 P 4.2378 0.0000 0.0000 62.5917 31.8395 176.3685 93 K 4.1816 7.9981 122.0227 54.1577 31.7239 175.4107 94 V 3.2398 7.9024 125.5557 64.3551 32.4522 175.7682 95 M 3.0119 9.4736 126.4432 57.4149 30.4331 176.4587 96 A 3.8821 9.0299 115.4535 52.7425 17.1830 177.2770 97 G 3.9145 8.1634 109.1954 46.9860 0.0000 176.5436 98 L 4.2160 8.2367 118.6467 55.8534 41.6562 176.2060 99 G 4.3856 7.4516 106.0809 43.3411 0.0000 171.7559 100 I 4.9494 9.0099 111.1560 59.0419 41.8529 174.7834 101 A 5.1058 9.4866 124.5418 48.7772 21.8896 175.5846 102 V 4.0193 8.4583 122.5587 63.9908 32.4064 174.9518 103 V 4.8190 8.4803 128.2050 60.9519 34.6452 174.2578 104 S 4.6990 9.3880 124.1832 58.3826 63.1596 173.2102 105 T 4.8980 8.8535 118.1522 59.6598 71.5211 175.4417 106 S 4.2699 8.8404 115.3394 59.8603 62.3688 174.3222 107 K 4.3379 9.0499 117.3355 56.6542 33.2153 175.6527 108 G 4.1459 7.2394 105.8601 43.0090 0.0000 172.8674 109 V 4.3162 7.8398 121.1139 62.2016 31.2541 174.2971 110 M 5.0058 8.2360 126.6025 53.5246 34.8058 174.8873 111 T 4.7248 8.2547 107.9546 60.8520 71.1870 175.4494 112 D 4.3738 8.6480 123.2843 57.3722 39.1198 178.6098 113 R 3.7753 8.2042 119.4678 59.0732 29.8625 177.4778 114 A 3.9717 7.8954 118.9614 55.3758 18.5764 179.2748 115 A 3.9069 7.9715 118.7563 55.5653 18.2553 179.7116 116 R 3.8693 8.1365 115.9666 59.7714 29.8281 178.4604 117 Q 4.1217 8.1960 117.5243 58.7759 28.6607 178.1082 118 A 4.2190 8.3441 120.3186 52.8041 18.3370 177.9301 119 G 3.8781 7.5733 104.2204 45.9237 0.0000 173.3244 120 L 4.8271 7.7756 117.9482 53.5735 43.3494 176.1161 121 G 4.0217 8.3934 108.2625 45.4576 0.0000 172.1762 122 G 4.2042 7.7013 104.4683 46.3451 0.0000 171.4571 123 E 4.9951 8.4660 123.2643 53.4722 31.3554 177.4837 124 I 4.1771 8.2356 127.5249 62.0891 37.7858 175.5644 125 I 4.5823 8.2527 119.8006 62.4646 42.3246 175.0623 126 C 4.5418 7.2775 114.0268 57.8853 32.0384 172.9825 127 Y 5.3434 8.2267 117.0379 56.3300 36.8656 174.8727 128 V 3.6970 8.1298 120.0242 62.3639 33.1204 176.2248 129 A 4.3980 8.1735 130.1831 52.3310 19.0294 175.4432 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 S 8.33 4.37 0.00 3.99 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 2 M 8.38 4.03 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 3 Q 8.35 4.35 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 4 D 7.42 4.48 0.00 2.66 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 5 P 0.00 4.16 0.00 2.29 2.28 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 I 7.82 3.60 1.97 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 1.54 0.82 0.85 0.00 0.00 7 A 8.51 3.91 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 8 D 7.49 4.29 0.00 2.83 2.82 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 9 M 7.49 3.93 0.00 2.13 2.06 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 2.59 2.56 0.00 10 L 7.78 4.06 0.00 1.86 1.64 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.30 3.85 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 1.26 0.00 0.00 12 R 8.52 4.00 0.00 2.07 2.03 0.00 3.41 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 13 I 7.65 3.70 1.95 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 1.55 0.91 0.85 0.00 0.00 14 R 7.88 3.89 0.00 2.00 2.15 0.00 2.95 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 15 N 8.29 4.43 0.00 2.81 2.93 0.00 0.00 7.04 8.51 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 16 G 8.07 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 17 Q 8.68 4.01 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 18 A 8.07 4.26 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 19 A 8.39 4.35 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 0.00 0.00 20 N 8.67 4.33 0.00 2.80 2.83 0.00 0.00 6.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.72 3.73 0.00 1.83 1.85 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.61 7.81 22 A 8.76 3.98 1.32 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 0.00 0.00 0.00 23 A 7.58 5.02 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 24 V 9.24 4.75 2.11 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 0.91 0.00 0.00 1.00 0.00 0.00 25 T 8.51 5.62 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 26 M 8.04 4.33 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 27 P 0.00 4.87 0.00 2.10 2.13 0.00 3.37 0.00 0.00 4.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 28 S 8.74 4.66 0.00 3.94 4.18 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 29 S 8.65 4.63 0.00 3.97 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 30 K 7.98 4.16 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.57 7.81 31 L 7.90 3.91 0.00 1.74 1.65 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.54 3.81 0.00 2.12 1.85 0.00 1.85 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.46 7.81 33 V 7.88 3.47 2.25 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 1.18 0.00 0.00 1.05 0.00 0.00 34 A 7.77 3.95 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 35 I 7.74 3.51 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 1.40 0.87 0.83 0.00 0.00 36 A 7.97 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.21 3.87 0.00 2.73 2.94 0.00 0.00 6.79 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 38 V 7.63 3.66 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 1.00 0.00 0.00 0.97 0.00 0.00 39 L 8.09 4.21 0.00 1.89 1.74 0.83 0.56 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 40 K 7.67 4.21 0.00 1.91 2.07 0.00 1.96 0.00 0.00 2.18 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.58 7.81 41 E 8.48 4.00 0.00 1.95 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 2.61 2.60 0.00 42 E 8.03 4.33 0.00 2.14 1.89 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 0.00 2.56 2.56 0.00 43 G 8.11 3.58 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 0.00 44 F 8.43 4.84 0.00 3.23 2.96 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 45 I 7.48 4.61 2.09 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 1.48 0.73 0.94 0.00 0.00 46 E 8.42 4.09 0.00 2.08 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 2.43 2.51 0.00 47 D 8.28 4.81 0.00 2.76 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 48 F 7.99 5.02 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.15 4.59 0.00 1.71 1.77 0.00 1.34 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.36 7.81 50 V 8.10 4.76 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 0.99 0.00 0.00 1.03 0.00 0.00 51 E 8.58 4.21 0.00 2.31 1.89 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 0.00 2.37 2.32 0.00 52 G 8.68 4.67 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 53 D 8.03 4.77 0.00 2.65 2.63 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 54 T 7.77 3.96 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 1.21 0.00 0.00 55 K 7.70 4.44 0.00 1.78 1.71 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.32 7.81 56 P 0.00 4.78 0.00 2.13 2.20 0.00 3.66 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 2.08 1.97 0.00 57 E 9.10 5.12 0.00 2.05 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 2.22 2.28 0.00 58 L 7.95 4.76 0.00 1.91 1.61 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.49 4.52 0.00 1.97 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 2.35 2.40 0.00 60 L 8.92 4.94 0.00 1.85 1.74 1.03 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.37 4.63 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 1.26 0.00 0.00 62 L 8.20 4.62 0.00 1.94 1.49 0.95 0.90 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 63 K 8.24 4.77 0.00 1.92 1.77 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 64 Y 8.66 5.02 0.00 2.93 3.08 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 65 F 9.00 4.74 0.00 3.06 2.78 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 66 Q 8.64 4.15 0.00 1.85 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.96 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 67 G 8.53 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 68 K 8.29 4.65 0.00 1.81 1.71 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.48 7.81 69 A 8.28 4.87 1.19 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 0.00 0.00 70 V 7.95 3.73 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 0.93 0.00 0.00 0.99 0.00 0.00 71 V 7.21 3.93 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 0.71 0.00 0.00 0.90 0.00 0.00 72 E 8.40 4.16 0.00 2.15 2.11 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 2.29 2.27 0.00 73 S 8.07 4.44 0.00 3.88 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 74 I 8.38 4.32 1.70 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 1.24 0.69 0.83 0.00 0.00 75 Q 8.51 4.71 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 76 R 8.43 4.03 0.00 1.73 1.73 0.00 3.09 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 77 V 7.90 3.86 1.68 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 0.50 0.00 0.00 -0.46 0.00 0.00 78 S 7.47 4.48 0.00 3.72 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 79 R 7.62 4.23 0.00 1.90 1.85 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 80 P 0.00 4.35 0.00 2.23 2.23 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 81 G 8.52 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 0.00 0.00 0.00 82 L 6.95 4.71 0.00 1.59 1.52 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.02 4.18 0.00 2.08 1.88 0.00 3.52 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 84 I 8.17 4.67 1.74 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 1.20 1.18 0.90 0.00 0.00 85 Y 8.92 5.01 0.00 2.76 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 86 K 8.93 4.77 0.00 1.69 1.73 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.57 7.81 87 R 8.25 4.87 0.00 1.84 1.86 0.00 3.18 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 88 K 8.83 3.81 0.00 1.86 2.00 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.48 7.81 89 D 7.76 4.95 0.00 2.80 2.78 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 90 E 8.60 4.61 0.00 1.87 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 91 L 8.07 3.84 0.00 1.67 1.65 0.94 1.04 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 92 P 0.00 4.24 0.00 1.82 2.04 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.16 0.00 93 K 8.00 4.18 0.00 1.66 1.71 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.35 7.81 94 V 7.90 3.24 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 0.79 0.00 0.00 0.64 0.00 0.00 95 M 9.47 3.01 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 96 A 9.03 3.88 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 97 G 8.16 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 0.00 0.00 0.00 98 L 8.24 4.22 0.00 1.65 1.74 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.45 4.39 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 0.00 100 I 9.01 4.95 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 1.08 0.00 0.00 101 A 9.49 5.11 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 0.00 102 V 8.46 4.02 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 0.90 0.00 0.00 0.91 0.00 0.00 103 V 8.48 4.82 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 0.96 0.00 0.00 1.05 0.00 0.00 104 S 9.39 4.70 0.00 3.87 3.71 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 0.00 105 T 8.85 4.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 106 S 8.84 4.27 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 0.00 107 K 9.05 4.34 0.00 1.73 1.82 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.50 7.81 108 G 7.24 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 0.00 109 V 7.84 4.32 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 0.82 0.00 0.00 0.92 0.00 0.00 110 M 8.24 5.01 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 111 T 8.25 4.72 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 1.29 0.00 0.00 112 D 8.65 4.37 0.00 2.92 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.20 3.78 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.34 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 114 A 7.90 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.97 3.91 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 0.00 116 R 8.14 3.87 0.00 1.92 2.13 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 117 Q 8.20 4.12 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 118 A 8.34 4.22 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 0.00 119 G 7.57 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.78 4.83 0.00 1.65 1.61 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.39 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 0.00 0.00 0.00 122 G 7.70 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.47 5.00 0.00 1.75 1.66 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 1.86 1.47 0.00 124 I 8.24 4.18 1.78 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.93 0.00 0.00 125 I 8.25 4.58 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.05 0.83 0.00 0.00 126 C 7.28 4.54 0.00 2.94 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 0.00 127 Y 8.23 5.34 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.13 3.70 1.66 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 -0.38 0.00 0.00 0.71 0.00 0.00 129 A 8.17 4.40 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