NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.7878 8.1733 120.1175 56.5845 33.9630 173.9226 6 I 4.7555 8.6486 126.2905 58.8365 40.3110 173.7996 7 G 4.3670 10.0289 115.9866 45.4748 0.0000 172.4673 8 I 5.2218 9.1094 123.5779 59.3700 41.0479 174.5735 9 V 4.6086 8.9946 128.2576 61.3418 33.9188 174.4720 10 T 4.6764 8.6498 126.3122 62.8564 69.8226 174.3502 11 V 4.7334 8.7464 128.2484 61.4190 32.7008 174.5088 12 S 4.8184 8.7794 122.4059 56.1525 66.7261 173.7527 13 D 4.9420 8.5622 118.8892 54.2474 41.1790 176.2200 14 R 4.3444 7.4539 114.5844 55.9541 31.0985 176.7038 15 A 3.8835 8.6922 123.7467 52.5307 17.0918 179.5042 *18 G 3.9934 7.6539 102.9412 45.7603 0.0000 174.5307 19 I 3.6953 7.0256 120.9049 62.7572 37.5840 176.5507 20 Y 4.3661 6.7988 116.9109 56.8708 38.5616 174.8944 21 E 4.0864 8.6681 122.6488 56.5353 30.4535 176.4693 22 D 4.8380 8.2606 123.7797 51.4015 41.8317 175.8537 23 I 3.7643 8.0797 120.0258 63.3901 37.8121 178.1380 24 S 4.1996 8.1744 116.9086 61.6895 62.8231 176.6265 25 G 3.7308 8.4947 108.0642 47.7180 0.0000 175.5526 26 K 3.9386 8.3280 121.7145 59.1062 32.2439 178.6589 27 A 3.8935 8.0514 121.1201 55.2712 18.1936 179.8064 28 I 3.6142 7.6923 117.7678 64.6886 37.2742 178.7477 29 I 4.0414 7.8665 120.6418 64.5237 36.9007 178.3213 30 D 4.3650 8.8520 120.2564 57.5166 40.5612 178.9956 31 T 3.4245 7.6878 116.1551 66.5035 68.4431 176.6909 32 L 3.3701 7.5059 120.7387 57.7507 41.2716 179.3628 33 N 4.5849 8.0549 115.3551 56.4975 38.5333 176.9326 34 D 4.4712 7.6564 119.3866 57.4384 40.8090 177.9555 35 Y 4.3938 7.7273 117.3148 60.1013 38.0429 176.2779 36 L 4.7379 7.3817 119.0042 54.0959 42.8312 176.9256 37 T 4.5497 8.8794 112.3537 61.2655 69.2773 174.1916 38 S 4.9307 7.6813 116.0524 56.3658 65.4902 173.6391 39 E 4.3058 8.6136 121.5866 56.3583 29.8714 176.5081 40 W 5.2457 8.2071 118.2696 55.0540 31.3588 173.4282 41 E 4.4009 8.8302 120.4776 53.5306 31.7518 172.9138 42 P 5.1432 0.0000 0.0000 62.9270 32.6555 175.9809 43 I 4.3920 9.1518 125.5438 59.9864 38.6513 173.4826 44 Y 5.2852 8.5231 128.1964 56.1472 40.5744 174.7665 45 Q 4.1841 8.2848 123.8424 54.1970 33.6393 173.7718 46 V 4.7394 7.8685 122.6341 61.4066 33.8755 174.4743 47 I 4.5822 8.3770 118.7461 59.2162 41.2166 172.2064 48 P 5.2723 0.0000 0.0000 61.5772 32.2384 177.0516 49 D 4.7180 8.4128 122.4363 52.3095 37.7243 173.9960 50 E 4.6215 7.8512 123.3558 54.8500 32.5084 176.8691 51 Q 3.9880 8.8842 124.9193 59.4878 28.8386 178.4058 52 D 4.3315 7.9987 119.3152 57.3981 40.9821 178.7319 53 V 3.5862 7.7060 118.2370 65.8456 31.4855 178.0260 54 I 3.6817 7.7340 119.5755 64.3760 36.9270 178.0729 55 E 3.9423 8.1503 119.3332 59.8274 29.3207 179.6660 56 T 3.8362 8.1748 115.7878 66.8912 68.3097 176.6791 57 T 3.8410 7.7031 116.1274 66.7533 68.6088 176.1738 58 L 4.1298 7.8560 119.3464 57.8937 41.9484 179.3905 59 I 3.8960 7.9401 119.7501 64.1845 36.9525 179.1712 60 K 3.9441 7.9493 116.7039 57.1739 31.8744 178.0389 *62 A 4.2286 7.8980 120.9687 52.0144 20.3137 179.5039 63 D 4.4595 8.4223 114.2415 57.4781 41.3762 178.3172 64 E 4.1221 8.1895 116.8682 59.2265 29.6760 178.1466 65 Q 4.2297 8.2273 115.1706 55.4383 29.7855 175.0958 66 D 4.5926 7.9427 115.8159 54.4761 38.0511 174.0910 67 C 4.5466 7.9147 116.0112 59.7100 29.2986 174.4208 68 C 4.3908 8.7193 120.3173 60.4751 30.6722 173.4826 69 L 5.2129 7.8942 120.3942 53.0633 45.5575 175.1293 70 I 5.0347 9.3226 126.5606 59.4752 40.5679 174.4359 71 V 4.9795 9.1795 127.2978 61.2937 34.2657 174.5222 72 T 5.1174 8.8584 118.0242 60.5240 71.9150 173.3171 73 T 5.2002 8.4265 116.9679 60.7469 70.8168 174.2238 74 G 4.2089 8.4844 113.4717 47.8367 0.0000 172.7228 75 G 3.9412 8.6888 104.8114 47.4030 0.0000 175.1635 76 T 4.5100 7.8919 115.1806 62.7947 70.7121 174.8082 77 G 3.8062 7.8734 110.5286 43.9359 0.0000 171.5178 78 P 4.3372 0.0000 0.0000 64.4411 32.1192 176.6680 79 A 4.1767 7.7802 122.4660 51.6231 19.0831 178.0077 80 K 3.9167 8.7337 121.9884 59.5149 32.3044 178.7625 81 R 3.9489 7.8901 113.2229 58.4122 29.4856 176.1609 82 D 4.4907 7.8269 118.1754 54.7653 39.8787 175.7933 83 V 4.9256 7.9666 115.0876 59.8238 32.9713 177.9178 84 T 3.8715 8.1673 119.4296 66.5504 68.1592 174.4639 85 P 4.3886 0.0000 0.0000 65.6408 31.4223 178.1466 86 E 3.9092 8.3679 116.7215 59.8600 29.2822 179.4577 87 A 4.0622 7.9635 119.9965 55.1773 18.4245 179.9252 88 T 3.8038 8.0440 114.4096 66.9524 68.3571 176.9343 89 E 4.0072 8.3394 119.2573 59.0587 29.4587 178.9776 90 A 4.1161 7.7133 120.4232 54.9001 18.5818 179.3765 91 V 3.9647 7.3911 108.1643 61.6587 32.5426 176.5970 92 C 4.4956 7.3792 116.5518 59.2563 28.7398 173.2681 93 D 4.7041 8.5180 121.5652 53.5914 40.0187 175.8609 94 R 4.4591 7.2973 115.7573 54.8252 32.3107 173.4171 *97 P 4.3463 0.0000 0.0000 62.6694 33.2256 178.9347 98 G 3.6998 8.1967 105.3503 48.6844 0.0000 175.2330 99 F 4.1079 8.4966 119.0505 60.2253 39.1521 177.0135 100 G 4.0931 8.3241 104.4522 48.2747 0.0000 174.7518 101 E 4.2102 7.9843 120.7781 58.9566 29.5065 179.9816 102 L 4.0304 7.5418 117.9281 55.6744 42.2353 178.6830 *104 R 4.2487 8.0185 117.8591 55.7264 31.9344 177.8830 105 A 4.0914 7.9086 118.1766 54.5298 18.3901 179.1556 106 E 4.2149 8.2180 117.3827 59.4446 29.8896 179.1679 107 S 4.3840 8.2202 114.7612 60.9634 62.0499 175.6792 108 L 4.6107 7.8119 120.5113 56.5480 40.5487 178.6689 109 K 3.9227 7.7100 119.1352 58.5194 31.8409 177.3164 110 F 4.6789 7.5356 115.9435 58.0976 41.4077 175.5471 111 V 4.3134 7.9442 122.2628 59.5550 30.9882 173.5145 112 P 3.9583 0.0000 0.0000 65.2949 31.6720 177.9476 113 T 4.1700 7.9472 105.8516 61.8647 69.1089 176.0971 114 A 4.0142 8.7924 128.0855 55.1424 18.4745 179.9208 115 I 3.8855 7.1849 107.8206 63.0404 37.5551 176.9195 116 L 4.2569 7.8471 120.3568 55.4805 41.9395 176.6983 117 S 4.5288 7.8272 114.7115 57.9823 62.8637 173.6002 118 R 4.5424 8.8005 126.7062 55.9755 29.9950 176.4581 119 Q 4.1602 7.6227 116.7004 57.5982 29.1987 175.9291 120 T 4.7180 8.9693 114.4500 62.0715 71.1597 171.5710 121 A 4.8346 8.2902 120.5566 51.5322 22.2714 176.0860 122 G 3.9463 8.3912 106.0115 45.9388 0.0000 171.4662 123 L 5.1246 8.5435 119.7895 52.8612 44.2732 176.4637 124 R 4.7185 9.0966 125.4485 55.0740 31.1701 177.7147 125 G 3.9497 9.1181 119.1680 46.9584 0.0000 172.9697 126 D 4.6687 9.0924 122.6312 52.9283 40.0364 175.6834 127 S 4.8800 8.0854 117.8457 57.0906 65.2513 172.8121 128 L 4.6805 8.4507 126.9440 54.2026 43.5505 175.0671 129 I 4.8574 8.8953 127.5215 59.4855 39.8825 174.6867 130 V 4.5964 8.7897 127.0212 60.9790 34.4124 173.9772 131 N 5.3197 9.1002 126.2852 52.2346 39.1595 174.6465 132 L 5.0082 8.7085 123.2400 52.1366 45.8460 174.8227 133 P 4.8110 0.0000 0.0000 61.9088 32.9498 176.3135 134 G 3.6971 8.5087 106.3937 47.9054 0.0000 174.8689 135 K 4.2268 7.8441 121.2488 54.8385 33.7538 175.2040 136 P 4.2211 0.0000 0.0000 65.8806 31.3292 178.7703 137 K 3.9014 7.9602 116.8128 59.9542 32.4959 179.3352 138 S 4.0569 7.9788 115.7634 61.3977 62.9431 176.1136 139 I 3.6809 7.8584 122.8384 64.7308 36.8969 178.2717 140 R 3.8640 8.1341 119.0506 59.4275 29.9939 178.2121 141 E 3.9853 8.1243 118.3985 59.7680 29.3379 179.2428 142 C 4.2360 8.5895 116.9912 62.9453 28.1484 176.2466 143 L 4.2667 8.1936 120.5240 57.7791 41.0052 179.2374 144 D 4.5393 8.5500 119.5354 56.6800 40.7832 178.3330 145 A 4.1382 7.8454 120.2224 54.7703 18.6870 179.2755 146 V 3.8584 7.6148 110.0307 62.9782 32.3743 178.1705 147 F 3.8275 8.4341 120.7801 60.8024 39.0383 175.2443 148 P 4.2035 0.0000 0.0000 64.8673 31.4332 177.3303 149 A 4.3571 8.0102 119.2177 53.1057 19.2521 179.3893 150 I 3.6129 7.5687 119.3535 63.9944 37.1872 176.5563 151 P 4.0148 0.0000 0.0000 65.6771 31.1757 177.8891 152 Y 4.1644 7.9197 117.8063 60.8452 38.4525 177.6839 153 C 3.9516 7.5315 118.8232 62.4432 31.9236 175.2846 154 I 3.7824 7.8607 121.5723 64.3955 36.4313 177.8781 155 D 4.4097 7.7682 118.6934 57.2592 41.0962 178.8296 156 L 4.1447 7.1379 118.5698 54.5638 41.8557 177.1830 *158 E 4.2107 8.1330 113.6175 56.1933 31.1443 176.8512 159 G 4.0135 7.9484 109.7111 43.3624 0.0000 172.4941 160 P 4.2778 0.0000 0.0000 63.0400 31.4822 175.7704 161 Y 4.2805 8.4489 121.7224 56.7002 38.0063 174.3294 162 L 4.4975 7.8662 127.4612 53.8709 43.0943 176.1628 163 E 4.7098 8.8208 122.6243 54.8114 32.2264 174.9509 164 C 5.2376 8.4770 120.2808 57.6329 31.8254 174.2140 165 N 4.4710 8.9168 119.5054 53.5081 38.5580 175.6322 166 E 4.2921 9.0983 129.7990 58.4979 29.6641 178.7152 167 A 4.1778 8.0017 119.3154 53.9499 18.6274 179.0211 168 V 4.0759 7.7064 110.0484 61.8754 33.1574 176.2682 169 I 4.4698 7.0625 117.1054 58.9345 40.8560 173.9524 170 K 4.6820 8.4180 126.7583 53.8931 32.2373 173.9676 171 P 4.6601 0.0000 0.0000 62.4278 32.5783 175.4302 172 F 4.7195 8.8324 124.9688 57.2071 40.4002 175.6823 173 R 4.1046 7.8936 125.8741 53.2422 30.8945 174.1996 174 P 3.8501 0.0000 0.0000 62.4563 31.4716 176.8732 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 5 K 8.17 4.79 0.00 1.81 1.94 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.57 7.81 6 I 8.65 4.76 2.09 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.03 1.01 0.00 0.00 7 G 10.03 4.37 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 0.00 8 I 9.11 5.22 2.17 0.00 0.00 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 1.26 0.87 1.13 0.00 0.00 9 V 8.99 4.61 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 1.07 0.00 0.00 0.91 0.00 0.00 10 T 8.65 4.68 4.31 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 1.32 0.00 0.00 11 V 8.75 4.73 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 0.98 0.00 0.00 0.93 0.00 0.00 12 S 8.78 4.82 0.00 3.94 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 13 D 8.56 4.94 0.00 2.70 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 14 R 7.45 4.34 0.00 2.09 2.09 0.00 2.87 0.00 0.00 2.98 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 15 A 8.69 3.88 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *18 G 7.65 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 19 I 7.03 3.70 1.25 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.18 0.75 0.00 0.00 20 Y 6.80 4.37 0.00 3.02 2.99 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 21 E 8.67 4.09 0.00 1.95 1.91 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 2.32 2.31 0.00 22 D 8.26 4.84 0.00 2.85 2.54 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 23 I 8.08 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.57 0.92 0.00 0.00 24 S 8.17 4.20 0.00 4.17 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 25 G 8.49 3.73 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 0.00 0.00 0.00 26 K 8.33 3.94 0.00 1.93 1.77 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 27 A 8.05 3.89 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 28 I 7.69 3.61 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.99 0.96 0.00 0.00 29 I 7.87 4.04 2.00 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 1.72 1.09 0.95 0.00 0.00 30 D 8.85 4.36 0.00 2.65 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 31 T 7.69 3.42 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 0.32 0.00 0.00 32 L 7.51 3.37 0.00 1.29 0.66 0.59 0.26 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 33 N 8.05 4.58 0.00 3.03 2.94 0.00 0.00 7.10 7.44 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 34 D 7.66 4.47 0.00 2.58 2.69 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 35 Y 7.73 4.39 0.00 2.67 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 36 L 7.38 4.74 0.00 1.66 1.64 0.33 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.88 4.55 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 1.29 0.00 0.00 38 S 7.68 4.93 0.00 4.09 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 39 E 8.61 4.31 0.00 2.05 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 2.34 2.35 0.00 40 W 8.21 5.25 0.00 3.54 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 41 E 8.83 4.40 0.00 1.98 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 2.24 2.19 0.00 42 P 0.00 5.14 0.00 2.12 2.21 0.00 3.18 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.22 0.00 43 I 9.15 4.39 1.95 0.00 0.00 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 1.16 0.59 0.99 0.00 0.00 44 Y 8.52 5.29 0.00 2.96 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 45 Q 8.28 4.18 0.00 1.76 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 46 V 7.87 4.74 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 0.95 0.00 0.00 0.95 0.00 0.00 47 I 8.38 4.58 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.27 0.85 0.00 0.00 48 P 0.00 5.27 0.00 2.18 2.02 0.00 3.71 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 49 D 8.41 4.72 0.00 2.82 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 50 E 7.85 4.62 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 2.28 2.31 0.00 51 Q 8.88 3.99 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 52 D 8.00 4.33 0.00 2.72 2.69 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 53 V 7.71 3.59 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 1.05 0.00 0.00 0.92 0.00 0.00 54 I 7.73 3.68 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 0.90 0.00 0.00 55 E 8.15 3.94 0.00 2.16 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 0.00 2.47 2.51 0.00 56 T 8.17 3.84 4.36 0.00 0.00 0.00 0.00 0.00 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 57 T 7.70 3.84 4.37 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 1.17 0.00 0.00 58 L 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0.00 0.00 0.00 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 C 8.72 4.39 0.00 2.97 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 69 L 7.89 5.21 0.00 1.73 1.51 0.99 1.07 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 70 I 9.32 5.03 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.92 0.00 0.00 71 V 9.18 4.98 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 1.18 0.00 0.00 1.00 0.00 0.00 72 T 8.86 5.12 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 1.21 0.00 0.00 73 T 8.43 5.20 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 1.34 0.00 0.00 74 G 8.48 4.21 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 75 G 8.69 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 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8.17 3.87 4.34 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 1.21 0.00 0.00 85 P 0.00 4.39 0.00 2.16 2.24 0.00 3.63 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 2.12 2.19 0.00 86 E 8.37 3.91 0.00 2.27 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 2.41 2.47 0.00 87 A 7.96 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 3.80 4.40 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 1.17 0.00 0.00 89 E 8.34 4.01 0.00 1.91 2.01 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 2.34 2.44 0.00 90 A 7.71 4.12 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 91 V 7.39 3.96 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 0.88 0.00 0.00 1.00 0.00 0.00 92 C 7.38 4.50 0.00 3.05 2.82 0.00 0.00 0.00 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0.00 0.00 112 P 0.00 3.96 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 113 T 7.95 4.17 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 1.22 0.00 0.00 114 A 8.79 4.01 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 0.00 115 I 7.18 3.89 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.64 0.92 0.00 0.00 116 L 7.85 4.26 0.00 1.74 1.76 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.83 4.53 0.00 3.87 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 0.00 118 R 8.80 4.54 0.00 1.88 1.93 0.00 3.24 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 119 Q 7.62 4.16 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 120 T 8.97 4.72 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 1.27 0.00 0.00 121 A 8.29 4.83 0.73 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 0.00 0.00 122 G 8.39 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 0.00 0.00 0.00 123 L 8.54 5.12 0.00 1.54 1.68 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 124 R 9.10 4.72 0.00 1.85 1.80 0.00 3.37 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 125 G 9.12 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 0.00 0.00 0.00 126 D 9.09 4.67 0.00 2.75 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 0.00 127 S 8.09 4.88 0.00 3.76 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 0.00 128 L 8.45 4.68 0.00 1.70 1.45 0.51 0.85 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 137 K 7.96 3.90 0.00 1.87 2.01 0.00 1.32 0.00 0.00 1.73 0.00 0.00 2.59 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.39 7.81 138 S 7.98 4.06 0.00 4.08 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 0.00 139 I 7.86 3.68 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.07 0.91 0.00 0.00 140 R 8.13 3.86 0.00 1.86 1.99 0.00 3.11 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 141 E 8.12 3.99 0.00 2.21 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 2.22 2.33 0.00 142 C 8.59 4.24 0.00 3.18 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 0.00 143 L 8.19 4.27 0.00 1.89 2.00 0.89 1.06 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 0.00 144 D 8.55 4.54 0.00 2.93 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 0.00 145 A 7.85 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.61 3.86 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 0.73 0.00 0.00 1.17 0.00 0.00 147 F 8.43 3.83 0.00 3.22 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 0.00 148 P 0.00 4.20 0.00 2.17 2.23 0.00 3.59 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 2.08 2.05 0.00 149 A 8.01 4.36 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.57 3.61 1.05 0.00 0.00 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 1.61 0.60 0.59 0.00 0.00 151 P 0.00 4.01 0.00 1.99 1.88 0.00 3.34 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 152 Y 7.92 4.16 0.00 3.15 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 0.00 153 C 7.53 3.95 0.00 3.12 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 0.00 154 I 7.86 3.78 1.78 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 1.47 0.45 0.97 0.00 0.00 155 D 7.77 4.41 0.00 2.67 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 0.00 156 L 7.14 4.14 0.00 1.58 1.51 0.60 0.63 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 *158 E 8.13 4.21 0.00 1.97 2.01 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 2.20 2.29 0.00 159 G 7.95 4.01 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 0.00 0.00 0.00 160 P 0.00 4.28 0.00 2.25 2.14 0.00 3.78 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 2.03 2.01 0.00 161 Y 8.45 4.28 0.00 2.99 3.04 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 0.00 162 L 7.87 4.50 0.00 1.48 1.59 0.85 0.95 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 0.00 163 E 8.82 4.71 0.00 2.01 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 2.42 2.47 0.00 164 C 8.48 5.24 0.00 2.84 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 0.00 165 N 8.92 4.47 0.00 2.83 2.78 0.00 0.00 7.48 7.16 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 0.00 166 E 9.10 4.29 0.00 1.97 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 0.00 2.35 2.34 0.00 167 A 8.00 4.18 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 0.00 168 V 7.71 4.08 2.19 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 0.79 0.00 0.00 1.15 0.00 0.00 169 I 7.06 4.47 1.53 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.34 0.65 0.00 0.00 170 K 8.42 4.68 0.00 1.77 1.77 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.38 7.81 171 P 0.00 4.66 0.00 2.03 2.03 0.00 3.76 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 1.96 1.95 0.00 172 F 8.83 4.72 0.00 2.88 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 0.00 173 R 7.89 4.10 0.00 1.55 1.78 0.00 3.34 0.00 0.00 3.48 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 174 P 0.00 3.85 0.00 1.95 1.79 0.00 2.20 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.43 0.00 * Residues marked with a * may have inaccurate shift predictions.