NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4955 8.1633 120.3276 55.5405 34.1066 177.4786 2 D 4.4540 7.9364 116.2581 55.7718 41.0275 175.4282 3 D 4.4649 8.2181 117.0643 55.0325 42.1330 175.8285 4 S 4.5210 7.5627 114.7268 56.5313 61.7472 173.1839 5 E 4.2713 8.4074 127.5715 55.9279 30.3546 178.0448 6 D 4.7199 8.2777 122.3904 54.0436 42.8558 174.8674 7 T 4.7474 7.8232 114.0016 61.4191 70.1269 175.0962 8 S 4.8788 8.3450 118.6736 58.6578 66.9254 175.4529 9 W 4.3621 8.2120 120.1391 56.2531 30.4317 172.8739 10 D 4.9699 8.1754 122.8944 52.0268 42.0718 175.5332 11 F 4.5930 7.6484 128.2098 55.0473 39.5400 174.4697 12 G 3.8289 8.3304 112.7711 47.5774 0.0000 170.7541 13 P 4.6003 0.0000 0.0000 65.6593 31.4233 178.2624 14 Q 4.0632 8.3612 116.1165 59.1612 27.9066 179.1406 15 A 4.3892 8.7910 121.9933 55.1052 18.0874 179.7130 16 F 4.6102 8.2150 115.9301 60.7566 38.9848 177.7267 17 K 4.1978 9.0487 118.4927 59.5040 31.9319 179.2015 18 L 4.0658 8.7796 120.7610 58.1585 41.9236 178.7999 19 L 4.0750 9.3189 119.4283 58.1239 41.7513 179.6168 20 S 4.2668 9.9683 112.8318 60.9840 62.3318 176.0819 21 A 4.0195 7.9844 123.8164 55.2678 18.0951 180.0286 22 V 3.5611 7.8413 110.9657 64.3049 31.5282 178.2615 23 D 4.3807 7.8605 117.7280 57.5268 40.8708 178.4306 24 I 3.7510 7.2957 118.2517 64.3469 37.2487 177.8924 25 L 4.0355 7.6236 116.6131 54.4388 41.7505 177.2188 26 G 3.9871 9.0779 107.9486 46.3896 0.0000 174.5441 27 E 3.9027 8.9514 116.2332 56.8015 28.2923 175.3402 28 K 4.5800 7.9527 117.4065 56.4210 30.8974 176.7656 29 F 4.6062 8.5428 116.1643 54.7696 41.9140 175.3163 30 G 4.1882 8.3805 109.7815 44.9069 0.0000 174.4644 31 I 4.1596 7.9679 118.9736 63.7209 37.4227 178.0029 32 G 3.7049 8.1421 106.4996 47.6321 0.0000 175.2505 33 L 3.9734 7.4252 122.4472 57.4538 42.2400 177.3737 34 P 4.1358 0.0000 0.0000 65.5736 31.1395 178.1490 35 I 3.3823 7.7543 118.4855 63.7901 37.2508 177.8135 36 L 3.8792 7.4470 118.5294 57.8840 41.4760 179.4150 37 F 4.1743 8.0756 120.4035 61.0562 39.3231 177.1474 38 L 3.8748 7.6235 118.7496 57.6876 41.1197 179.1642 39 R 4.1217 6.9938 114.6664 55.9605 31.2701 175.8692 40 G 2.2145 7.0681 107.6233 45.3759 0.0000 173.4653 41 S 4.1769 7.1493 115.3136 57.7656 64.3405 175.0958 42 N 4.4565 8.4395 119.7679 53.7659 37.5829 175.4823 43 S 4.3869 8.0567 120.0043 56.6281 64.4410 173.5822 44 Q 4.0649 8.5234 131.0850 58.8111 28.5138 177.4012 45 R 3.9145 7.9958 119.4053 59.2498 29.8559 177.6259 46 L 4.5871 7.7286 115.2380 55.6619 41.9022 178.0651 47 A 4.1095 7.8664 120.9100 53.4932 18.7347 178.8087 48 D 4.4677 7.8689 116.1124 56.5748 41.6666 178.6011 49 Q 3.9703 7.5315 116.5022 58.7105 29.0064 177.9276 50 Y 4.6841 7.5207 116.6474 57.8273 38.7265 178.5581 51 R 4.0749 8.0981 117.8276 58.8611 29.7160 178.0648 52 R 3.8900 8.0572 116.3977 58.6406 30.1818 174.4795 53 H 4.0967 7.8236 117.9636 56.1136 29.7770 174.2351 54 S 4.3736 8.8833 122.6166 61.1633 62.6404 176.0304 55 L 4.1836 8.4260 119.6490 56.8167 41.6618 176.8303 56 F 3.4708 8.0445 121.2355 59.3724 39.5026 174.8722 57 G 3.5343 7.6188 114.6761 46.6340 0.0000 174.8466 58 T 4.3673 7.6717 115.4229 63.8989 69.1660 175.7873 59 G 4.4991 7.9362 110.2041 45.5245 0.0000 175.5305 60 K 3.8955 7.6826 121.1069 59.3812 32.1509 177.6910 61 D 4.4941 8.0504 115.2210 54.5053 39.7809 175.6352 62 Q 4.3352 7.4392 119.8802 54.1993 30.2269 176.2409 63 T 4.2536 8.0717 112.8669 61.0267 71.0956 175.2609 64 E 4.1826 8.7654 121.5569 59.7309 29.4458 179.0141 65 S 4.3398 8.1669 113.5621 60.9020 63.0469 176.0274 66 W 3.8851 8.2122 131.8334 60.0903 30.4256 177.8656 67 W 4.3770 8.0781 117.6251 59.6635 28.5656 178.2754 68 K 3.9540 8.7085 119.8564 59.6507 31.7334 178.4977 69 A 3.8741 9.7019 120.6606 55.1091 18.1252 179.3013 70 F 4.1443 8.6282 119.4697 61.6291 39.2515 177.3904 71 S 3.9756 8.2662 113.7794 61.5835 62.6795 176.3412 72 R 3.9651 7.8776 121.1799 59.5363 29.5830 178.3923 73 Q 3.9209 7.7702 117.4845 59.1573 28.8253 179.1556 74 L 3.7657 7.2572 119.8463 57.5338 41.4985 179.6238 75 I 4.2723 7.2569 121.0193 64.3346 36.8434 178.6711 76 T 3.9081 7.6907 114.7412 66.6137 68.2382 176.4282 77 E 4.1474 7.9233 120.4595 57.9703 29.2205 178.7067 78 G 4.1623 7.7471 105.4443 45.4628 0.0000 174.8529 79 F 3.8716 8.4425 117.6157 59.7757 39.4499 175.0762 80 L 5.0253 8.0732 120.9514 53.0291 45.7379 175.7975 81 V 4.7620 8.3649 123.4093 59.9033 34.7346 174.0344 82 E 4.9093 8.8298 121.9763 54.5702 31.9841 175.2702 83 V 4.4276 8.0510 122.7058 61.2996 33.5624 176.2308 84 S 4.3995 8.8846 121.1730 59.8315 62.7693 174.9356 85 R 4.3967 8.0236 117.1737 57.0518 30.1728 175.5308 86 Y 4.2198 7.8030 116.4974 57.7632 40.4261 172.1419 87 N 4.6535 8.8735 124.4695 53.1951 34.7284 174.9636 88 K 4.1087 8.2061 122.1381 57.6859 31.9206 177.6767 89 F 4.1106 7.2969 117.2913 59.2217 39.0111 175.8361 90 M 4.4052 8.2476 124.3920 56.2576 33.3329 173.3844 91 K 4.3792 8.4180 113.5784 55.4530 28.6009 173.7403 92 I 3.8842 8.9133 127.6853 61.5976 39.2723 174.0684 93 C 4.6812 8.0462 124.1255 59.2583 29.2501 173.1752 94 A 4.8341 8.4158 123.9081 50.3266 22.2186 175.1183 95 L 4.4790 9.4663 123.7204 54.6154 42.4379 177.8202 96 T 4.5633 7.9984 113.9066 60.4188 72.7393 174.9960 97 K 4.1798 8.4381 118.8932 59.8760 31.8332 179.2308 98 K 3.9924 7.9690 118.7247 59.9917 32.5135 179.1587 99 G 3.5911 7.5431 106.5550 46.6422 0.0000 175.9393 100 R 3.9916 9.3133 121.4903 59.4866 30.1227 178.3420 101 N 4.5228 8.2712 116.3695 55.8280 38.4341 176.9890 102 W 3.7827 7.8216 129.6842 60.5081 30.5742 177.8539 103 L 4.1852 8.2402 118.8132 58.5134 41.7759 178.0115 104 H 4.4896 9.4246 113.7843 56.9113 29.1998 176.0730 105 K 4.3089 8.0954 118.8697 57.4273 34.7150 177.4700 106 A 4.2169 7.8571 119.7202 51.9748 18.2918 178.4154 107 N 4.5609 7.4922 114.3302 55.6470 38.0742 176.1301 108 T 3.8079 7.6603 109.5167 63.1143 68.1888 176.0216 109 E 4.5014 8.5114 116.7916 54.0373 31.1820 174.4162 110 S 4.4898 8.1516 113.1319 56.6874 65.7205 174.3622 111 Q 5.0034 8.8364 124.3888 54.6578 29.0094 175.2310 112 S 4.5039 8.5555 119.1128 57.4264 66.8484 173.8600 113 L 4.1659 8.4787 122.6550 54.4041 45.8211 173.0919 114 I 4.3093 8.4318 128.2508 60.1838 37.6737 175.9792 115 L 4.6122 8.5621 127.4414 52.7949 44.4056 175.5510 116 Q 4.3372 8.5176 121.4841 56.1180 29.4020 175.8696 117 A 3.9720 8.5346 127.5578 51.7339 19.3153 177.0378 118 N 4.1943 7.3958 117.9594 52.3775 39.4541 175.4227 119 E 3.8464 8.5910 120.6231 59.3448 29.5074 177.8231 120 E 4.2475 7.5331 122.8014 54.5925 28.2749 175.6023 121 L 4.3860 7.9890 123.5180 55.9330 43.0009 177.8932 122 C 4.8394 7.4118 112.7898 56.9157 30.0634 172.5023 123 P 4.5841 0.0000 0.0000 64.4415 31.4782 177.9574 124 K 4.3804 7.8138 118.4284 56.9955 32.5258 177.0409 125 K 4.4123 7.7344 118.1394 57.0168 32.5433 178.0901 126 L 4.4045 7.4921 119.8764 53.3052 40.0857 176.8455 127 L 4.1817 7.4502 120.2157 55.1359 41.8884 177.5696 128 L 4.3998 8.1746 120.6981 52.6827 42.0744 175.0390 129 P 4.2280 0.0000 0.0000 62.9296 31.7666 176.6708 130 S 4.3139 8.3433 116.5918 57.7970 63.8785 174.1678 131 S 4.3109 8.3925 118.2130 57.8984 62.3485 174.2686 132 K 4.3016 8.3566 125.3448 56.1533 33.6291 176.5662 133 T 4.2143 8.2217 118.7841 62.7561 69.3208 174.6080 134 V 3.9412 8.2067 126.6970 61.9671 32.4206 176.0588 135 S 4.1570 8.6959 121.9301 61.2613 63.0538 174.4369 136 S 4.1869 7.6880 114.2840 58.5657 62.7196 173.7158 137 G 3.9620 8.6988 109.3012 45.3103 0.0000 173.8516 138 T 3.8622 7.5079 116.5067 63.3753 68.8920 174.1514 139 K 4.1694 8.1708 124.1418 56.5852 33.3606 174.0409 140 E 4.7674 8.4970 126.1066 56.4217 30.3110 177.9003 141 H 4.0173 8.5661 120.3325 59.7053 30.0695 176.4695 142 C 4.2717 8.2499 115.1407 62.8606 28.1306 173.7177 143 Y 4.2146 7.4495 115.9373 56.6479 38.7320 175.4595 144 N 4.4510 8.9942 117.0595 54.4005 38.6460 175.1333 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 M 8.16 4.50 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 D 7.94 4.45 0.00 2.75 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 3 D 8.22 4.46 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.56 4.52 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 5 E 8.41 4.27 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 2.35 2.27 0.00 6 D 8.28 4.72 0.00 2.65 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 7 T 7.82 4.75 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 1.23 0.00 0.00 8 S 8.35 4.88 0.00 3.81 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 9 W 8.21 4.36 0.00 3.70 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.18 4.97 0.00 2.62 2.49 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 0.00 11 F 7.65 4.59 0.00 1.75 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 0.00 0.00 0.00 0.00 12 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 13 P 0.00 4.60 0.00 2.27 2.25 0.00 3.38 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 1.85 2.23 0.00 14 Q 8.36 4.06 0.00 1.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.92 0.00 0.00 0.00 0.00 0.00 1.51 2.05 0.00 15 A 8.79 4.39 0.95 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 0.00 0.00 16 F 8.21 4.61 0.00 3.53 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 17 K 9.05 4.20 0.00 2.33 2.19 0.00 1.99 0.00 0.00 1.97 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.71 1.95 7.81 18 L 8.78 4.07 0.00 2.16 1.95 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.32 4.07 0.00 2.03 1.92 0.74 1.08 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 20 S 9.97 4.27 0.00 4.21 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 21 A 7.98 4.02 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 22 V 7.84 3.56 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 1.00 0.00 0.00 1.08 0.00 0.00 23 D 7.86 4.38 0.00 3.00 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 24 I 7.30 3.75 1.72 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.63 1.00 0.00 0.00 25 L 7.62 4.04 0.00 1.62 1.26 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.08 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.95 3.90 0.00 2.19 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 0.00 2.28 2.32 0.00 28 K 7.95 4.58 0.00 1.60 1.57 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.56 7.81 29 F 8.54 4.61 0.00 3.01 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 30 G 8.38 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 0.00 0.00 0.00 0.00 31 I 7.97 4.16 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.96 0.00 0.00 32 G 8.14 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 33 L 7.43 3.97 0.00 1.82 1.64 0.79 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.14 0.00 2.20 2.16 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 35 I 7.75 3.38 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.34 0.97 0.00 0.00 36 L 7.45 3.88 0.00 1.91 1.68 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.08 4.17 0.00 2.94 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 38 L 7.62 3.87 0.00 0.65 0.96 -0.09 1.00 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 39 R 6.99 4.12 0.00 1.90 1.92 0.00 3.43 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.67 0.00 40 G 7.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.15 4.18 0.00 4.16 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 42 N 8.44 4.46 0.00 2.70 2.83 0.00 0.00 6.74 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 43 S 8.06 4.39 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.52 4.06 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 45 R 8.00 3.91 0.00 1.94 1.96 0.00 3.25 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 46 L 7.73 4.59 0.00 2.00 1.97 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.87 4.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.87 4.47 0.00 2.62 2.68 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 49 Q 7.53 3.97 0.00 1.85 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.54 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 50 Y 7.52 4.68 0.00 3.48 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 51 R 8.10 4.07 0.00 1.87 2.18 0.00 2.61 0.00 0.00 3.99 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 52 R 8.06 3.89 0.00 1.86 2.07 0.00 3.42 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 53 H 7.82 4.10 0.00 3.45 3.72 0.00 5.77 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.88 4.37 0.00 3.97 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 55 L 8.43 4.18 0.00 1.99 1.89 1.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.04 3.47 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.62 3.53 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 0.00 0.00 0.00 58 T 7.67 4.37 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 1.30 0.00 0.00 59 G 7.94 4.50 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 0.00 60 K 7.68 3.90 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.33 7.81 61 D 8.05 4.49 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.44 4.34 0.00 2.23 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 5.11 0.00 0.00 0.00 0.00 0.00 1.58 1.94 0.00 63 T 8.07 4.25 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 64 E 8.77 4.18 0.00 2.18 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 0.00 2.44 2.53 0.00 65 S 8.17 4.34 0.00 4.12 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 66 W 8.21 3.89 0.00 3.43 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 67 W 8.08 4.38 0.00 3.74 3.22 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 68 K 8.71 3.95 0.00 2.07 1.98 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.55 7.81 69 A 9.70 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.63 4.14 0.00 3.15 3.44 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 71 S 8.27 3.98 0.00 4.06 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 72 R 7.88 3.97 0.00 1.86 2.03 0.00 3.11 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 73 Q 7.77 3.92 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 74 L 7.26 3.77 0.00 1.55 1.56 0.49 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.26 4.27 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.10 0.89 0.00 0.00 76 T 7.69 3.91 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 1.20 0.00 0.00 77 E 7.92 4.15 0.00 1.99 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 2.33 2.39 0.00 78 G 7.75 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 0.00 0.00 0.00 0.00 79 F 8.44 3.87 0.00 2.97 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 80 L 8.07 5.03 0.00 1.74 1.41 0.99 0.60 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 81 V 8.36 4.76 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 0.84 0.00 0.00 0.91 0.00 0.00 82 E 8.83 4.91 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 83 V 8.05 4.43 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 1.07 0.00 0.00 0.86 0.00 0.00 84 S 8.88 4.40 0.00 3.92 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 85 R 8.02 4.40 0.00 2.09 2.05 0.00 3.28 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 86 Y 7.80 4.22 0.00 3.15 2.89 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 87 N 8.87 4.65 0.00 3.14 3.26 0.00 0.00 6.84 7.72 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 88 K 8.21 4.11 0.00 1.59 1.54 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.37 7.81 89 F 7.30 4.11 0.00 3.19 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 8.25 4.41 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 91 K 8.42 4.38 0.00 1.89 2.05 0.00 1.81 0.00 0.00 0.85 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 92 I 8.91 3.88 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.61 0.94 0.00 0.00 93 C 8.05 4.68 0.00 2.97 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 94 A 8.42 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 9.47 4.48 0.00 1.53 1.65 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.00 4.56 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 1.17 0.00 0.00 97 K 8.44 4.18 0.00 1.75 1.87 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.42 7.81 98 K 7.97 3.99 0.00 1.72 1.95 0.00 1.42 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.40 7.81 99 G 7.54 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.31 3.99 0.00 1.94 1.91 0.00 3.01 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 101 N 8.27 4.52 0.00 2.89 2.84 0.00 0.00 6.65 7.03 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 0.00 102 W 7.82 3.78 0.00 3.50 3.37 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 0.00 103 L 8.24 4.19 0.00 1.87 1.99 1.09 1.53 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 0.00 104 H 9.42 4.49 0.00 3.29 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.10 4.31 0.00 1.81 1.69 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.34 7.81 106 A 7.86 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 7.49 4.56 0.00 2.94 3.21 0.00 0.00 6.91 7.58 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 0.00 108 T 7.66 3.81 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 1.18 0.00 0.00 109 E 8.51 4.50 0.00 1.88 1.84 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 2.11 2.24 0.00 110 S 8.15 4.49 0.00 3.68 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.84 5.00 0.00 2.32 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 112 S 8.56 4.50 0.00 4.02 3.87 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 0.00 113 L 8.48 4.17 0.00 1.34 1.21 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.43 4.31 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.92 0.00 0.00 115 L 8.56 4.61 0.00 0.89 1.71 0.65 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.52 4.34 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 117 A 8.53 3.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.40 4.19 0.00 1.64 1.91 0.00 0.00 5.19 5.91 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 0.00 119 E 8.59 3.85 0.00 1.97 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 2.11 2.20 0.00 120 E 7.53 4.25 0.00 1.89 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 2.22 2.25 0.00 121 L 7.99 4.39 0.00 1.55 1.65 0.75 0.34 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 0.00 122 C 7.41 4.84 0.00 3.05 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 0.00 123 P 0.00 4.58 0.00 2.21 2.20 0.00 3.79 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 2.01 2.03 0.00 124 K 7.81 4.38 0.00 1.74 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.52 7.81 125 K 7.73 4.41 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.39 7.81 126 L 7.49 4.40 0.00 1.64 1.63 0.92 0.77 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 0.00 127 L 7.45 4.18 0.00 1.75 1.66 0.92 0.75 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 0.00 128 L 8.17 4.40 0.00 1.65 1.66 0.92 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 0.00 129 P 0.00 4.23 0.00 2.03 2.01 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 130 S 8.34 4.31 0.00 3.97 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 0.00 131 S 8.39 4.31 0.00 3.88 3.87 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 0.00 132 K 8.36 4.30 0.00 1.85 1.79 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 133 T 8.22 4.21 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 0.00 134 V 8.21 3.94 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 0.93 0.00 0.00 0.93 0.00 0.00 135 S 8.70 4.16 0.00 4.01 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 0.00 136 S 7.69 4.19 0.00 3.85 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 0.00 137 G 8.70 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 0.00 138 T 7.51 3.86 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 1.19 0.00 0.00 139 K 8.17 4.17 0.00 1.67 1.70 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 140 E 8.50 4.77 0.00 2.06 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 2.22 2.22 0.00 141 H 8.57 4.02 0.00 3.17 3.37 0.00 5.73 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 0.00 142 C 8.25 4.27 0.00 3.05 2.85 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 0.00 143 Y 7.45 4.21 0.00 2.81 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.99 4.45 0.00 2.76 2.80 0.00 0.00 6.78 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