NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1D H 4.7492 8.4449 117.8289 55.5495 30.9373 172.5735 1E H 4.9302 7.8373 114.3344 51.8494 32.6906 170.7179 1F H 4.6523 9.1169 117.2894 55.9270 29.9033 174.0991 1G F 4.9335 8.4306 119.3665 57.8848 39.8946 174.0832 2 N 4.6325 8.5239 117.2615 52.2434 38.9837 174.5797 3 L 4.7459 8.0282 123.4649 52.1128 43.7783 174.7550 4 P 4.5145 0.0000 0.0000 61.8952 32.0708 174.7772 5 P 4.3437 0.0000 0.0000 63.9609 31.8525 176.7816 6 G 3.8069 7.5964 108.1902 45.0353 0.0000 171.1289 7 N 4.4084 7.9718 115.5178 51.8299 40.3207 173.4925 8 Y 4.7916 8.0033 115.0375 58.4116 38.3377 177.7821 9 K 4.0795 9.0893 127.1524 57.4167 31.8209 181.5750 10 K 4.8250 7.5855 117.5104 51.6127 35.5900 175.8733 11 P 4.8486 0.0000 0.0000 63.6265 32.5037 175.4745 12 K 4.8784 9.4506 120.1173 55.3836 37.5231 174.9051 13 L 5.0971 9.1359 120.7999 53.3160 44.5422 176.4223 14 L 4.9053 8.6445 123.3301 53.5482 42.8983 174.1479 15 Y 4.8584 9.4060 126.9059 56.7198 40.5027 173.5104 16 C 4.4096 8.6488 130.5814 57.4614 32.3308 175.3264 17 S 3.8988 8.2978 123.3554 60.2734 62.4743 171.2459 18 N 4.2609 7.9946 116.8685 56.8253 38.2907 175.4371 19 G 3.9648 7.4569 101.0436 44.1640 0.0000 171.9046 20 G 3.3978 7.6845 106.8104 47.0768 0.0000 173.3057 21 H 4.9664 7.3678 114.3549 53.6122 32.8191 174.0404 22 F 5.3377 9.0616 120.0257 55.8311 40.8231 175.2954 23 L 4.5871 8.9682 125.9908 55.3900 43.2078 175.6389 24 R 4.8802 9.4223 126.2411 54.6075 33.7457 173.9659 25 I 4.8707 8.2739 126.5743 59.3614 39.0064 175.6487 26 L 4.0679 8.8159 128.1803 53.5008 42.2487 176.8730 27 P 4.3294 0.0000 0.0000 65.8596 31.2985 177.0737 28 D 4.5645 7.9882 114.5671 53.4360 39.6725 177.1348 29 G 4.2894 8.7348 110.3905 45.4946 0.0000 174.2181 30 T 4.3276 8.3666 117.4899 63.4540 69.0504 173.4310 31 V 4.8358 7.9258 124.0219 61.2359 34.5126 174.5142 32 D 4.5819 8.5125 125.0604 53.0376 42.8596 174.0471 33 G 4.5379 8.5801 104.8230 45.2681 0.0000 172.5097 34 T 4.9955 8.9419 116.3357 60.3659 70.9518 174.5875 35 R 4.3490 8.8751 124.3335 56.4855 31.0486 176.3187 36 D 4.6346 8.2366 119.3457 53.0563 40.1707 176.6427 37 R 3.5561 8.6303 127.9953 58.4130 30.2558 177.3512 38 S 4.3348 8.6155 111.1280 58.8713 63.6824 174.0998 39 D 4.3410 7.7954 121.6149 55.1750 41.1544 176.1228 40 Q 4.2516 8.5284 123.4007 57.0962 29.3669 175.9475 41 H 4.8636 9.7649 116.6056 55.4682 29.0638 175.5059 42 I 4.4993 7.1018 111.3362 60.1395 38.4673 175.5448 43 Q 4.2447 7.7840 121.9338 55.6876 29.5976 174.7652 44 L 5.1822 9.0354 124.6758 52.7780 45.6744 175.3979 45 Q 4.7603 9.2860 124.3460 54.5079 30.9395 174.2936 46 L 5.6629 8.8614 126.3816 52.9095 43.9522 176.1009 47 S 4.3785 8.1304 114.6933 56.6918 66.8686 172.2009 48 A 4.7326 8.0014 123.2403 50.9237 19.7572 176.6518 49 E 3.9869 9.2663 124.3097 58.1572 30.2418 177.1688 50 S 4.7904 7.3205 112.0718 55.7886 66.6349 173.7012 51 V 3.7826 8.2959 121.4899 64.6628 31.5977 176.2623 52 G 3.9254 9.1663 114.3612 45.5496 0.0000 171.7172 53 E 5.2060 8.4503 120.4285 54.5886 31.9310 175.6819 54 V 5.4096 8.9350 116.9355 58.7723 36.8788 173.8655 55 Y 5.3826 8.3596 118.5500 56.5234 41.2856 175.2154 56 I 4.3682 8.8004 125.5816 60.3049 40.0039 174.9891 57 K 4.8639 8.6577 130.9025 52.7973 35.5206 172.3987 58 S 4.5387 8.9493 119.6228 58.0969 62.5822 175.1232 59 T 3.8299 8.6682 118.9125 64.7503 68.7851 175.9826 60 E 4.0341 8.3959 122.5096 58.6348 29.7993 177.1488 61 T 4.3432 8.1216 105.8583 60.6049 70.0797 175.3258 62 G 3.8332 8.3342 110.4690 45.4349 0.0000 173.8829 63 Q 4.4195 7.6381 118.8915 56.1128 30.2693 174.6538 64 Y 4.8604 9.0697 120.4659 56.1486 40.3047 175.0912 65 L 4.4007 9.2228 126.3848 55.3788 43.4983 175.5527 66 A 5.1532 8.7043 125.8978 50.8878 23.2603 174.4099 67 M 5.3823 8.5509 119.8599 53.7442 34.5192 175.7579 68 D 5.2339 9.6873 126.7336 52.7319 40.8779 176.9161 69 T 3.9721 8.5863 112.9738 64.9244 67.2054 174.0021 70 D 4.7312 8.5076 118.6206 53.8615 41.1966 176.8900 71 G 3.3873 8.6006 108.0141 45.3055 0.0000 172.9178 72 L 4.7482 8.4950 120.3804 53.3687 43.3547 176.0725 73 L 5.0704 8.5430 123.4924 54.8255 42.7705 175.6454 74 Y 5.0210 9.3197 120.4639 55.7509 42.1867 173.8097 75 G 4.2575 8.7780 108.3382 45.2485 0.0000 173.1907 76 S 5.0080 8.9953 121.7401 56.9413 63.8267 175.3686 77 Q 4.3197 9.0142 125.6868 58.1212 28.9729 176.5058 78 T 4.6480 7.4778 105.8702 58.4528 71.6679 171.6125 79 P 3.4246 0.0000 0.0000 62.3088 31.8698 175.1826 80 N 5.0157 8.0380 118.5850 50.7026 40.5793 174.6009 81 E 3.9188 8.7339 115.3171 59.1979 29.5976 177.7861 82 E 4.1491 8.7214 118.3183 57.6821 29.8025 177.5264 83 C 4.9459 7.9879 115.4554 59.5088 29.0580 173.4706 84 L 4.5836 7.3781 121.0324 53.8930 42.8004 175.7349 85 F 5.3154 9.0469 121.4696 55.6377 43.4829 174.4091 86 L 4.8746 9.4246 123.3947 53.7461 42.5709 175.4865 87 E 4.4483 8.8298 126.8262 55.3315 30.1787 175.7252 88 R 4.8326 8.5868 125.2755 54.0524 34.9398 174.4366 89 L 4.8024 8.7290 123.4492 55.0950 43.1064 175.7533 90 E 4.7107 9.1737 125.1539 55.2287 33.6451 174.8363 91 E 4.0262 9.7385 123.3536 57.7331 27.3134 174.2545 92 N 4.3219 8.5135 110.6736 54.1273 36.5733 174.0558 93 H 4.8284 8.6326 116.8206 57.6566 37.2687 173.4568 94 Y 4.6725 7.8212 116.0883 57.4566 40.2467 173.5009 95 N 5.5978 9.6438 118.1185 51.9382 41.1842 174.6000 96 T 5.3211 8.8340 113.1359 60.1194 72.7465 172.6264 97 Y 5.0390 8.7266 119.6159 56.6387 41.3970 174.2133 98 I 4.7042 8.6142 125.8616 59.1551 39.8439 175.3523 99 S 4.0777 8.9809 122.1910 58.4772 62.3424 173.8302 100 K 3.9623 8.7578 129.6386 59.4438 32.2423 178.5817 101 K 3.7174 7.9439 117.9629 59.1660 32.1641 176.7221 102 H 4.7555 7.9681 114.8319 54.9632 29.5433 176.2243 103 A 3.9625 7.8551 125.6531 55.3411 18.2411 180.9399 104 E 3.5879 7.8303 111.8683 58.7398 29.5575 177.8312 105 K 4.0750 7.5643 116.8492 55.7695 32.7043 175.8701 106 N 3.9567 7.6257 115.4331 53.9464 36.3354 174.6064 107 W 5.1223 7.7792 117.8564 56.0159 30.8628 177.1366 108 F 5.4294 9.2694 123.8665 55.4929 41.7214 175.4144 109 V 4.0557 9.0357 121.3206 62.8184 32.5088 175.1858 110 G 4.5365 8.6373 112.9467 45.1440 0.0000 171.3114 111 L 5.3016 8.4614 121.5766 52.4592 45.0293 177.1473 112 K 4.1926 9.0638 123.4902 55.4642 32.9262 178.3104 113 K 3.9014 8.4517 119.7612 59.5401 31.9365 177.9945 114 N 4.5286 8.0403 113.4806 52.9115 37.7328 175.8862 115 G 3.5147 8.2306 108.6818 45.1523 0.0000 173.4198 116 S 4.8505 8.1109 115.0479 57.4013 64.9132 174.3211 117 V 4.3188 8.1969 114.9636 61.3305 32.2975 175.9312 118 K 4.3505 8.7343 123.8928 55.5119 33.3977 176.9280 119 R 4.1125 8.5576 123.8876 55.7283 31.0347 177.0969 120 G 3.3455 8.3135 115.3701 48.3247 0.0000 174.0814 121 P 4.2002 0.0000 0.0000 64.1035 31.3911 177.5262 122 R 4.2463 7.9330 116.2515 56.5903 30.4830 176.4484 123 T 4.8922 7.7064 108.4488 59.8564 70.6989 173.4359 124 H 4.7499 7.8796 114.6765 55.0061 30.3854 173.2277 125 Y 3.9547 8.8473 118.7080 60.0160 38.1048 177.1868 126 G 4.0398 9.0286 111.7907 45.3750 0.0000 173.8542 127 Q 4.2469 7.4655 118.8826 55.2381 29.8162 177.1376 128 K 3.8000 8.3173 118.9955 58.8313 32.8584 179.3501 129 A 3.9474 8.1161 121.1188 54.0454 18.2312 178.6644 130 I 4.3225 7.1426 105.9485 61.0208 38.3375 175.4952 131 L 4.2678 7.3735 123.4073 54.0948 42.5888 175.8869 132 F 5.1839 9.3057 122.2929 55.4984 43.3349 173.9567 133 L 5.2762 9.2779 123.5754 52.6950 44.7309 173.5203 134 P 5.1601 0.0000 0.0000 62.6006 32.3336 175.5249 135 L 4.9501 9.2569 124.4856 51.9369 44.9950 174.4865 136 P 4.6418 0.0000 0.0000 62.6528 32.3722 177.0562 137 V 3.7922 8.1582 114.1629 61.7425 31.6641 176.3261 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 1D H 8.44 4.75 0.00 3.13 3.28 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.84 4.93 0.00 3.29 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 9.12 4.65 0.00 3.34 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.43 4.93 0.00 2.87 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.52 4.63 0.00 2.95 2.78 0.00 0.00 6.91 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.03 4.75 0.00 1.48 1.42 0.63 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.51 0.00 2.16 2.17 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 5 P 0.00 4.34 0.00 2.17 2.18 0.00 3.73 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 1.95 1.93 0.00 6 G 7.60 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 0.00 0.00 0.00 7 N 7.97 4.41 0.00 2.57 2.61 0.00 0.00 5.79 7.55 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 8 Y 8.00 4.79 0.00 3.07 3.27 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 9 K 9.09 4.08 0.00 1.72 1.74 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.27 7.81 10 K 7.59 4.83 0.00 1.71 1.56 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 0.98 7.81 11 P 0.00 4.85 0.00 1.92 2.04 0.00 3.61 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 2.01 2.10 0.00 12 K 9.45 4.88 0.00 1.62 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.63 7.81 13 L 9.14 5.10 0.00 1.69 1.64 0.61 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.64 4.91 0.00 1.50 1.45 0.35 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.41 4.86 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.65 4.41 0.00 2.33 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 17 S 8.30 3.90 0.00 3.67 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 18 N 7.99 4.26 0.00 2.54 2.78 0.00 0.00 6.71 7.98 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 19 G 7.46 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.68 3.40 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 0.00 21 H 7.37 4.97 0.00 3.02 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.06 5.34 0.00 3.02 3.02 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 23 L 8.97 4.59 0.00 1.76 1.49 0.95 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.42 4.88 0.00 1.91 2.04 0.00 3.20 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 25 I 8.27 4.87 1.84 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 1.18 0.74 0.89 0.00 0.00 26 L 8.82 4.07 0.00 1.76 1.52 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.33 0.00 2.00 2.11 0.00 3.50 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 28 D 7.99 4.56 0.00 2.79 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 29 G 8.73 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 0.00 0.00 0.00 0.00 30 T 8.37 4.33 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 31 V 7.93 4.84 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.03 0.00 0.00 32 D 8.51 4.58 0.00 2.85 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 33 G 8.58 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.94 5.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 35 R 8.88 4.35 0.00 1.88 1.99 0.00 3.21 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 36 D 8.24 4.63 0.00 2.83 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 37 R 8.63 3.56 0.00 1.90 1.91 0.00 3.36 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.54 0.00 38 S 8.62 4.33 0.00 3.94 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 39 D 7.80 4.34 0.00 2.74 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 40 Q 8.53 4.25 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 41 H 9.76 4.86 0.00 3.21 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.10 4.50 1.87 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 1.03 0.00 0.00 43 Q 7.78 4.24 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 L 9.04 5.18 0.00 1.47 1.42 0.80 0.45 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 45 Q 9.29 4.76 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 46 L 8.86 5.66 0.00 1.77 1.59 0.91 1.03 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 47 S 8.13 4.38 0.00 3.81 3.89 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 0.00 0.00 0.00 48 A 8.00 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 49 E 9.27 3.99 0.00 1.65 1.80 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 1.48 1.65 0.00 50 S 7.32 4.79 0.00 3.96 3.75 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 51 V 8.30 3.78 2.30 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 0.95 0.00 0.00 1.03 0.00 0.00 52 G 9.17 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 0.00 0.00 0.00 53 E 8.45 5.21 0.00 2.03 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 54 V 8.93 5.41 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 0.79 0.00 0.00 1.26 0.00 0.00 55 Y 8.36 5.38 0.00 2.95 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 56 I 8.80 4.37 1.71 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 0.92 0.84 0.67 0.00 0.00 57 K 8.66 4.86 0.00 1.40 1.63 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.21 7.81 58 S 8.95 4.54 0.00 3.79 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 59 T 8.67 3.83 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 1.16 0.00 0.00 60 E 8.40 4.03 0.00 2.00 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 2.23 2.38 0.00 61 T 8.12 4.34 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 1.24 0.00 0.00 62 G 8.33 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.64 4.42 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 64 Y 9.07 4.86 0.00 2.76 2.79 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 65 L 9.22 4.40 0.00 1.60 1.48 0.80 0.47 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 66 A 8.70 5.15 0.62 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 0.00 0.00 67 M 8.55 5.38 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 68 D 9.69 5.23 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.59 3.97 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 70 D 8.51 4.73 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 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 72 L 8.49 4.75 0.00 1.92 1.63 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.54 5.07 0.00 1.57 1.62 0.90 0.96 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 74 Y 9.32 5.02 0.00 2.96 3.02 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 75 G 8.78 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 0.00 0.00 0.00 0.00 76 S 9.00 5.01 0.00 3.82 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 77 Q 9.01 4.32 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.48 4.65 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 1.21 0.00 0.00 79 P 0.00 3.42 0.00 1.65 0.49 0.00 3.46 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.44 0.00 80 N 8.04 5.02 0.00 2.89 2.88 0.00 0.00 6.01 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 81 E 8.73 3.92 0.00 2.04 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 2.26 2.29 0.00 82 E 8.72 4.15 0.00 2.33 2.30 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 2.40 2.34 0.00 83 C 7.99 4.95 0.00 3.14 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 84 L 7.38 4.58 0.00 1.43 1.41 0.82 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.05 5.32 0.00 3.18 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 86 L 9.42 4.87 0.00 1.54 1.65 0.93 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.83 4.45 0.00 2.16 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 2.18 1.90 0.00 88 R 8.59 4.83 0.00 1.79 1.91 0.00 3.16 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 89 L 8.73 4.80 0.00 1.73 1.60 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.17 4.71 0.00 2.21 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 2.28 2.43 0.00 91 E 9.74 4.03 0.00 2.42 2.14 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 2.29 2.40 0.00 92 N 8.51 4.32 0.00 2.84 2.89 0.00 0.00 6.86 8.16 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 93 H 8.63 4.83 0.00 2.84 2.93 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.82 4.67 0.00 2.99 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 95 N 9.64 5.60 0.00 3.03 2.65 0.00 0.00 6.96 7.01 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 96 T 8.83 5.32 4.53 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 1.36 0.00 0.00 97 Y 8.73 5.04 0.00 2.87 2.81 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 98 I 8.61 4.70 1.70 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.44 0.61 0.00 0.00 99 S 8.98 4.08 0.00 4.09 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 0.00 100 K 8.76 3.96 0.00 1.73 1.70 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.33 7.81 101 K 7.94 3.72 0.00 1.71 1.65 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.01 1.11 7.81 102 H 7.97 4.76 0.00 2.98 2.15 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.86 3.96 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 0.00 104 E 7.83 3.59 0.00 1.84 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 2.08 2.13 0.00 105 K 7.56 4.07 0.00 0.86 1.53 0.00 1.45 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 0.97 7.81 106 N 7.63 3.96 0.00 3.05 3.08 0.00 0.00 6.92 6.97 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 0.00 107 W 7.78 5.12 0.00 3.30 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 0.00 108 F 9.27 5.43 0.00 2.85 3.03 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 0.00 0.00 0.00 109 V 9.04 4.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.49 0.00 0.00 110 G 8.64 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.46 5.30 0.00 1.47 1.45 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.06 4.19 0.00 1.94 1.68 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 113 K 8.45 3.90 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.38 7.81 114 N 8.04 4.53 0.00 2.79 2.90 0.00 0.00 6.17 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 0.00 115 G 8.23 3.51 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 0.00 116 S 8.11 4.85 0.00 3.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.20 4.32 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 0.93 0.00 0.00 118 K 8.73 4.35 0.00 1.74 1.69 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 119 R 8.56 4.11 0.00 1.73 1.61 0.00 3.23 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 120 G 8.31 3.35 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 0.00 121 P 0.00 4.20 0.00 1.94 2.18 0.00 2.78 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 122 R 7.93 4.25 0.00 1.83 1.91 0.00 3.29 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 123 T 7.71 4.89 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 124 H 7.88 4.75 0.00 3.43 3.53 0.00 5.49 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.85 3.95 0.00 3.15 2.92 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 0.00 126 G 9.03 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.47 4.25 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 128 K 8.32 3.80 0.00 1.74 1.64 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.27 7.81 129 A 8.12 3.95 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 0.00 130 I 7.14 4.32 1.64 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.52 0.00 0.00 131 L 7.37 4.27 0.00 0.86 0.51 0.36 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.31 5.18 0.00 3.43 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.28 5.28 0.00 2.24 1.74 0.83 1.48 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 0.00 134 P 0.00 5.16 0.00 2.20 2.18 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 135 L 9.26 4.95 0.00 1.68 1.63 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.64 0.00 1.93 1.98 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 137 V 8.16 3.79 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 0.67 0.00 0.00 0.91 0.00 0.00