NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4534 8.3044 120.3335 54.9747 34.1051 175.3712 2 K 4.0868 7.8481 118.5129 53.2423 33.1887 174.5896 3 F 5.0481 8.3701 120.7970 55.0122 42.0034 173.2514 4 F 4.7580 8.9199 119.7648 55.4922 41.8532 174.8544 5 L 4.7645 8.2593 123.1237 53.9019 42.0538 176.6824 6 K 4.2178 8.5900 121.2327 56.5018 32.6104 177.1810 7 D 4.5683 8.8190 123.2077 56.2451 39.7971 178.2418 8 G 3.9493 7.9749 109.3979 45.6742 0.0000 173.3459 9 E 4.4684 8.2945 119.2930 57.6643 32.1631 177.6817 10 T 4.0084 8.1445 114.8936 66.9715 68.5412 176.7323 11 S 4.1403 7.9992 116.5169 61.3439 63.0858 176.2376 12 R 3.8143 8.0581 120.8420 59.3165 29.5327 177.7372 13 A 4.0454 7.6874 119.4124 53.3568 18.7910 179.2939 14 L 3.8736 7.5657 119.7444 58.1778 42.2086 178.8053 15 S 4.2889 8.0580 113.0255 60.2216 63.2048 176.1417 16 R 3.8842 7.4803 122.5352 58.9823 29.8007 178.0102 17 S 4.4136 7.8346 113.8537 60.4851 63.6245 176.0938 18 E 3.9761 8.2187 122.6984 59.2570 29.3721 178.9142 19 S 4.4671 7.8263 112.5648 59.2839 63.4668 176.1356 20 L 3.8813 7.4110 123.6763 58.1432 41.9275 178.0997 21 L 3.9188 7.9093 120.2457 58.4549 41.7430 178.7489 22 R 3.7926 7.4576 115.7974 59.7404 30.4645 178.5708 23 R 3.9569 7.8740 117.7219 59.4414 30.0544 178.7675 24 V 3.5687 8.1099 118.4877 65.6882 31.3123 178.0532 25 K 3.3253 7.4437 117.1382 58.6912 31.7913 178.5155 26 E 4.0807 7.5245 117.6567 57.5953 29.8279 177.4038 27 L 4.1009 7.0111 118.5317 55.0468 42.5357 176.2190 28 G 4.0898 8.3737 109.4465 45.1241 0.0000 173.6572 29 T 4.3975 8.2329 109.6574 58.6429 66.6383 174.1610 30 N 5.1298 7.3700 130.7955 53.9388 38.4199 175.9428 31 S 4.2755 7.7165 116.0611 58.5135 63.6712 174.3703 32 Q 4.2394 8.3795 122.9708 55.5464 29.4722 177.1809 33 Q 3.9930 8.7496 119.5049 59.2256 28.3965 179.4062 34 S 4.1168 8.0679 113.9542 62.3959 63.1027 175.3600 35 E 3.9509 8.6810 123.6002 56.7089 29.0973 179.2410 36 I 3.5218 7.2639 118.6421 64.2100 38.0053 177.9618 37 S 4.1574 8.5046 116.0975 61.2067 62.9244 176.1788 38 E 4.4495 8.3301 122.3852 58.3311 29.6390 178.4841 39 C 4.1153 7.9677 119.5894 62.2616 31.4825 175.6365 40 V 3.6357 7.8403 119.8572 66.1066 31.0744 177.4008 41 D 4.6985 7.9853 118.8040 57.7545 40.6994 178.7639 42 E 3.9779 8.3293 119.1656 59.3462 29.6668 178.2542 43 F 4.0711 8.1972 120.1240 61.6537 39.4092 176.7173 44 N 4.3150 9.2063 117.2987 56.7696 38.7268 176.5064 45 E 3.9591 8.2163 119.7231 59.5344 29.5535 179.1569 46 L 3.9598 7.8226 118.6254 57.8644 41.4692 179.2868 47 A 3.7884 7.6982 119.6892 55.5633 18.4964 179.4637 48 S 4.1325 8.0503 113.2548 61.6440 62.9523 176.3593 49 F 3.9172 8.7315 123.4149 61.6812 39.1337 176.7011 50 N 4.3647 8.6176 116.5291 57.3618 38.6891 176.1754 51 H 4.2029 8.2809 119.2431 59.1444 29.8009 177.1169 52 L 3.9919 7.6475 120.5371 57.3923 41.5217 178.5240 53 L 3.7121 7.7573 120.4890 58.4080 41.9222 179.2242 54 V 3.5683 8.2686 118.1832 66.4617 31.4606 178.0989 55 T 3.8541 7.6404 108.8362 64.6166 68.4542 176.2950 56 V 3.2215 8.0052 121.4408 65.7950 31.4618 177.5607 57 E 3.9630 8.2871 118.2339 59.9280 29.1751 179.0555 58 H 4.2467 8.3923 116.9358 59.1967 30.0790 176.9521 59 R 3.9780 8.4422 120.8153 59.6417 29.9695 178.1111 60 E 3.9429 8.8349 118.9126 59.2383 29.2157 179.1500 61 W 4.3515 8.3782 127.6693 61.0353 30.8656 177.7254 62 M 3.5095 7.5055 116.5367 56.8720 32.6547 177.0628 63 E 4.5732 7.5173 120.8414 55.1094 29.8632 174.5734 64 Q 4.4874 7.2555 121.2255 56.2157 29.7360 177.1557 *77 R 4.3739 9.1075 129.1713 57.2383 32.1893 176.4951 78 I 3.8367 7.9179 118.3320 64.4300 37.1118 178.4505 79 G 3.6402 8.1297 105.9625 47.7348 0.0000 175.2292 80 E 4.0375 8.1611 120.3323 59.7911 29.5141 179.2738 81 M 4.1969 7.9281 118.1003 58.2644 31.9503 178.7944 82 L 4.1681 8.2927 119.6394 57.5854 41.8847 179.1171 83 K 3.9115 8.5570 120.0939 59.8185 32.0746 178.5681 84 E 3.9824 7.9803 117.4790 59.5152 29.3975 179.0624 85 I 3.8764 8.0278 119.8696 64.7837 37.2505 177.8509 86 R 3.7135 8.5827 119.2475 59.9053 29.5841 177.8239 87 A 3.9452 7.7113 118.6616 55.4427 18.4006 179.4699 88 F 4.2060 8.1301 115.7670 60.6585 39.0972 177.9182 89 L 3.8505 8.4644 120.3801 57.8304 41.6147 178.6962 90 K 4.0285 8.6699 120.1480 59.7564 31.9866 177.9076 91 V 3.6618 7.3315 115.4592 64.0522 31.6763 176.2124 92 R 4.3817 7.8265 115.1554 56.1548 31.7077 175.6866 93 V 3.7416 6.9693 118.7793 61.9056 31.8708 175.4447 94 V 4.0983 8.0955 120.3110 59.5837 34.3605 175.3848 95 T 4.5068 8.1466 113.6403 59.5423 70.8060 173.2926 96 P 4.5466 0.0000 0.0000 63.8968 31.5014 176.8730 97 M 4.3902 8.0067 115.7410 55.2555 31.2358 176.1189 98 H 4.8284 7.9120 118.1156 55.4777 28.0402 174.7402 99 K 4.8305 8.4014 122.8586 54.0463 35.3684 176.5902 100 E 4.2268 8.8599 120.9790 58.4684 30.1328 177.4980 101 T 4.7052 7.2563 113.9843 60.7818 72.5019 174.4615 102 A 2.5800 7.9165 126.6318 55.1856 18.3750 179.8742 103 S 3.9129 7.9235 110.5494 62.0505 62.3770 176.2358 104 D 4.4280 7.9683 120.4932 57.1870 40.6584 178.5609 105 T 3.9715 8.2156 117.1003 66.6270 68.3913 176.0285 106 L 3.8970 7.7969 121.8513 58.2385 42.1439 178.3292 107 N 4.2331 7.9582 115.6872 56.5509 38.6084 176.8343 108 A 3.9935 8.4617 122.0158 55.6333 18.4549 179.8107 109 F 3.9003 8.4027 115.9510 60.3476 38.7969 177.6269 110 L 3.9754 8.3393 120.5010 58.3969 42.0320 178.8749 111 E 3.9797 8.9531 118.7927 59.3911 29.3123 179.2027 112 E 3.9568 8.3393 119.4626 59.3376 29.6535 178.2061 113 Y 4.0523 8.1941 119.6992 60.8485 38.7967 177.6378 114 C 4.1044 8.5980 118.0811 62.7005 27.9799 176.1559 115 R 3.8212 7.7244 119.2490 59.4332 29.8096 178.4300 116 I 3.7220 7.7053 118.7560 64.5205 37.2622 178.1783 117 T 4.0403 7.8093 108.7607 61.7682 68.9309 175.7876 118 G 3.8518 7.8693 108.8758 45.8470 0.0000 173.7844 119 L 4.1122 7.7450 118.9708 53.7998 42.4682 177.5174 120 A 4.2690 8.2685 122.9484 51.8745 20.3647 179.3314 121 R 3.8946 8.3972 119.9119 59.3885 29.9975 178.8806 122 E 3.8904 8.2317 117.4136 59.7900 29.6482 178.3050 123 D 4.5061 8.0957 117.8567 57.1030 40.9953 178.4357 124 A 4.1511 7.9214 120.9716 55.1938 18.3539 179.6406 125 L 3.9156 8.7075 117.8177 57.8526 41.4056 179.6915 126 R 3.9940 7.5151 116.7573 57.3195 30.7387 177.0811 127 E 4.1078 7.6335 119.0612 55.6657 30.4668 176.5041 128 K 4.3840 9.0320 122.6595 56.0912 33.7449 177.7728 129 M 3.7410 8.5512 124.1285 59.3185 32.0136 178.5560 130 R 4.0067 7.3841 115.9921 59.9522 30.1712 178.3891 131 K 3.7496 8.0569 116.8955 59.6818 32.1319 178.9521 132 V 3.1482 7.5870 117.6164 66.0244 31.3137 178.6052 133 K 4.1441 8.7587 119.4300 60.2772 32.6450 179.4787 134 S 4.3180 8.3481 116.3235 60.2096 62.9846 176.5616 135 V 3.4187 8.6202 123.3320 66.0912 31.3564 178.1997 136 V 3.7722 8.1595 117.9857 65.8494 31.3580 178.0884 137 L 4.2282 8.6781 119.3125 57.9046 41.5315 179.2001 138 F 4.2113 8.7287 117.8222 61.0647 38.9524 176.7556 139 H 4.0757 8.4062 117.3421 60.2522 29.5415 176.9624 140 H 4.2822 8.6190 117.5411 58.5946 28.5839 178.0554 141 S 4.9332 8.7035 119.0336 61.2929 62.5314 176.2399 142 E 3.9395 8.2601 120.6053 59.2178 29.3555 178.1398 143 L 4.2028 7.6586 118.9485 56.6784 42.3901 177.6035 144 L 4.4714 8.1701 116.7450 53.2269 42.5793 176.1265 145 K 3.9406 8.0166 117.4827 56.7259 30.5597 174.9013 146 F 4.8051 7.7260 117.8896 56.2849 42.6952 172.5517 147 E 4.1300 8.0526 128.7114 55.9016 29.8886 175.8268 148 V 4.3652 8.7917 127.0698 61.4310 32.9728 174.9585 149 T 4.7099 8.1828 117.2417 59.7276 71.2976 175.4634 150 E 4.2626 8.7803 121.0535 59.5620 29.5590 178.3508 151 N 5.2441 8.1210 113.4110 52.9918 37.2740 175.1324 152 M 4.4311 8.0242 116.2606 55.6216 31.0717 175.7994 153 F 4.9113 7.9640 117.8082 55.4297 42.3747 176.2796 154 S 4.0289 8.5720 116.7968 60.2100 63.6939 174.1367 155 Y 4.7909 6.9647 118.8216 57.6374 38.3310 177.7998 156 T 3.9071 8.1148 117.9888 67.3979 68.7465 175.3408 157 E 3.9768 8.2400 119.3759 59.3440 29.4918 179.1019 158 L 3.8779 7.9323 119.6956 58.3190 42.0610 178.9612 159 L 3.7832 7.6481 116.5911 56.7975 41.4926 178.8058 160 K 4.2261 7.4139 116.8514 56.3351 32.5463 177.1943 161 L 3.8545 7.3054 120.1463 55.5257 42.4226 177.2909 162 N 4.9071 8.4282 124.6043 51.8541 37.7198 173.9049 163 L 4.7656 7.0790 120.0073 51.5631 46.7159 176.6904 164 S 4.5573 8.4352 116.5990 58.5572 64.7766 175.5645 165 L 3.8924 8.3377 123.6892 57.8147 41.3411 179.9584 166 R 3.8195 8.1417 118.8699 59.3831 30.0484 178.6655 167 V 3.5388 7.4202 117.9626 66.1079 31.5453 177.7704 168 I 3.6432 7.7931 119.7515 64.6498 36.9919 178.6296 169 S 4.1477 8.3895 115.3032 60.7580 62.6202 176.2395 170 S 4.2575 7.8933 116.5804 60.4310 63.7012 175.8335 171 Q 4.2787 8.5063 119.9171 56.4541 29.0091 176.7882 172 I 4.2043 7.6252 119.4703 62.2798 38.4529 176.1529 173 L 4.5905 7.7509 119.2674 59.7476 40.6711 177.4833 174 G 3.7260 7.7842 102.8702 48.0595 0.0000 174.5597 175 M 4.2456 8.2879 121.6081 54.3801 33.2757 176.7135 176 A 4.2258 8.6672 123.2982 51.9669 20.2327 177.8223 177 I 3.7600 7.4382 118.8954 61.2007 36.7462 175.1378 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 8.30 4.45 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 7.85 4.09 0.00 1.70 1.63 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.64 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.74 1.11 7.81 3 F 8.37 5.05 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.92 4.76 0.00 2.99 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 5 L 8.26 4.76 0.00 1.86 1.73 0.99 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.59 4.22 0.00 1.82 1.85 0.00 1.79 0.00 0.00 2.06 0.00 0.00 3.26 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.58 7.81 7 D 8.82 4.57 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.97 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 0.00 0.00 0.00 9 E 8.29 4.47 0.00 2.33 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 0.00 2.58 2.82 0.00 10 T 8.14 4.01 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 1.29 0.00 0.00 11 S 8.00 4.14 0.00 3.85 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 12 R 8.06 3.81 0.00 2.12 2.10 0.00 3.16 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 13 A 7.69 4.05 0.54 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 14 L 7.57 3.87 0.00 1.89 1.77 0.98 0.86 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 15 S 8.06 4.29 0.00 4.09 4.07 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 16 R 7.48 3.88 0.00 2.26 1.87 0.00 3.03 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 17 S 7.83 4.41 0.00 4.04 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 18 E 8.22 3.98 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 19 S 7.83 4.47 0.00 3.98 4.09 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 0.00 0.00 0.00 0.00 20 L 7.41 3.88 0.00 1.86 1.93 0.97 0.61 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 21 L 7.91 3.92 0.00 1.85 1.88 1.05 0.83 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 22 R 7.46 3.79 0.00 2.00 1.97 0.00 3.35 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 23 R 7.87 3.96 0.00 1.88 2.17 0.00 3.08 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 24 V 8.11 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 25 K 7.44 3.33 0.00 1.71 1.56 0.00 1.58 0.00 0.00 1.54 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.94 7.81 26 E 7.52 4.08 0.00 2.10 1.95 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 2.44 2.44 0.00 27 L 7.01 4.10 0.00 1.68 1.56 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.37 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.23 4.40 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 1.19 0.00 0.00 30 N 7.37 5.13 0.00 2.88 2.95 0.00 0.00 6.39 7.64 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 31 S 7.72 4.28 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.38 4.24 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 33 Q 8.75 3.99 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 34 S 8.07 4.12 0.00 4.01 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 35 E 8.68 3.95 0.00 2.06 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 2.29 2.47 0.00 36 I 7.26 3.52 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.39 0.78 0.00 0.00 37 S 8.50 4.16 0.00 4.01 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 0.00 38 E 8.33 4.45 0.00 2.24 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 0.00 2.61 2.21 0.00 39 C 7.97 4.12 0.00 3.01 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 40 V 7.84 3.64 2.28 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 1.16 0.00 0.00 0.74 0.00 0.00 41 D 7.99 4.70 0.00 2.95 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 42 E 8.33 3.98 0.00 2.13 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 0.00 2.35 2.42 0.00 43 F 8.20 4.07 0.00 3.30 3.36 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 44 N 9.21 4.31 0.00 3.07 2.88 0.00 0.00 7.29 7.53 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 45 E 8.22 3.96 0.00 2.24 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 2.35 2.38 0.00 46 L 7.82 3.96 0.00 1.70 1.66 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.70 3.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.13 0.00 4.12 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 49 F 8.73 3.92 0.00 3.18 3.24 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 0.00 50 N 8.62 4.36 0.00 3.06 2.98 0.00 0.00 6.92 8.75 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 51 H 8.28 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0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.16 4.04 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 81 M 7.93 4.20 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 82 L 8.29 4.17 0.00 1.87 1.77 0.85 0.69 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 83 K 8.56 3.91 0.00 2.11 1.89 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.55 7.81 84 E 7.98 3.98 0.00 2.36 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 2.38 2.41 0.00 85 I 8.03 3.88 2.35 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 1.12 0.00 0.00 86 R 8.58 3.71 0.00 2.19 2.07 0.00 3.07 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 87 A 7.71 3.95 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 88 F 8.13 4.21 0.00 3.38 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 89 L 8.46 3.85 0.00 1.84 1.60 0.79 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.67 4.03 0.00 2.19 1.83 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.72 7.81 91 V 7.33 3.66 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 0.86 0.00 0.00 0.92 0.00 0.00 92 R 7.83 4.38 0.00 1.63 1.81 0.00 3.33 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 93 V 6.97 3.74 1.79 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 0.64 0.00 0.00 0.17 0.00 0.00 94 V 8.10 4.10 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 0.65 0.00 0.00 0.86 0.00 0.00 95 T 8.15 4.51 4.17 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 0.00 0.00 1.37 0.00 0.00 96 P 0.00 4.55 0.00 2.05 2.14 0.00 3.44 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 2.05 2.09 0.00 97 M 8.01 4.39 0.00 1.63 1.73 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.58 0.00 98 H 7.91 4.83 0.00 3.37 3.40 0.00 5.79 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 99 K 8.40 4.83 0.00 1.88 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.47 7.81 100 E 8.86 4.23 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 2.34 2.46 0.00 101 T 7.26 4.71 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 102 A 7.92 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.92 3.91 0.00 3.83 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 0.00 104 D 7.97 4.43 0.00 2.75 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 0.00 105 T 8.22 3.97 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 1.36 0.00 0.00 106 L 7.80 3.90 0.00 1.64 1.79 0.84 0.69 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 0.00 107 N 7.96 4.23 0.00 2.95 2.90 0.00 0.00 6.99 7.13 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 0.00 108 A 8.46 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.40 3.90 0.00 3.24 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 0.00 110 L 8.34 3.98 0.00 1.75 1.89 0.96 0.94 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 0.00 111 E 8.95 3.98 0.00 2.02 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 2.35 2.54 0.00 112 E 8.34 3.96 0.00 2.25 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 2.26 2.38 0.00 113 Y 8.19 4.05 0.00 3.27 3.20 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 0.00 114 C 8.60 4.10 0.00 3.24 2.98 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 0.00 115 R 7.72 3.82 0.00 2.01 1.91 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 116 I 7.71 3.72 1.68 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 1.70 0.80 0.80 0.00 0.00 117 T 7.81 4.04 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 0.30 0.00 0.00 118 G 7.87 3.85 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 0.00 119 L 7.75 4.11 0.00 1.59 1.65 0.90 0.91 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 0.00 120 A 8.27 4.27 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 0.00 121 R 8.40 3.89 0.00 1.88 2.00 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 122 E 8.23 3.89 0.00 1.94 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 2.30 2.49 0.00 123 D 8.10 4.51 0.00 2.77 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 0.00 124 A 7.92 4.15 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.71 3.92 0.00 1.91 1.72 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.52 3.99 0.00 1.88 1.98 0.00 3.25 0.00 0.00 3.31 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 127 E 7.63 4.11 0.00 2.03 1.61 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 0.00 2.35 2.46 0.00 128 K 9.03 4.38 0.00 1.64 1.66 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.54 7.81 129 M 8.55 3.74 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 130 R 7.38 4.01 0.00 1.87 1.94 0.00 3.17 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 131 K 8.06 3.75 0.00 1.88 1.84 0.00 1.54 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.55 7.81 132 V 7.59 3.15 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 0.91 0.00 0.00 0.10 0.00 0.00 133 K 8.76 4.14 0.00 1.58 1.77 0.00 1.32 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.68 7.81 134 S 8.35 4.32 0.00 3.72 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 0.00 135 V 8.62 3.42 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.05 0.00 0.00 136 V 8.16 3.77 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.18 0.00 0.00 137 L 8.68 4.23 0.00 2.12 2.15 1.27 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.73 4.21 0.00 3.05 3.18 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 0.00 139 H 8.41 4.08 0.00 3.44 3.59 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.62 4.28 0.00 3.36 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.70 4.93 0.00 4.07 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 0.00 142 E 8.26 3.94 0.00 2.08 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 0.00 2.33 2.36 0.00 143 L 7.66 4.20 0.00 1.80 1.85 0.87 1.01 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 0.00 144 L 8.17 4.47 0.00 1.74 1.75 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.02 3.94 0.00 1.96 1.96 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.44 7.81 146 F 7.73 4.81 0.00 3.02 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 0.00 147 E 8.05 4.13 0.00 1.74 1.52 0.00 0.00 0.00 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 2.12 0.00 148 V 8.79 4.37 2.28 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 1.08 0.00 0.00 1.16 0.00 0.00 149 T 8.18 4.71 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 150 E 8.78 4.26 0.00 2.18 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 0.00 2.41 2.45 0.00 151 N 8.12 5.24 0.00 2.86 2.94 0.00 0.00 6.33 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 0.00 152 M 8.02 4.43 0.00 1.84 2.31 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 153 F 7.96 4.91 0.00 3.30 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.57 4.03 0.00 3.53 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 6.96 4.79 0.00 3.15 2.98 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 0.00 156 T 8.11 3.91 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 1.26 0.00 0.00 157 E 8.24 3.98 0.00 1.99 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 2.41 2.33 0.00 158 L 7.93 3.88 0.00 1.76 1.97 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.65 3.78 0.00 1.62 1.34 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.41 4.23 0.00 1.89 1.83 0.00 2.01 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.60 7.81 161 L 7.31 3.85 0.00 1.70 1.57 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 162 N 8.43 4.91 0.00 2.64 2.72 0.00 0.00 6.93 7.78 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 0.00 163 L 7.08 4.77 0.00 1.63 1.43 0.89 0.77 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 0.00 164 S 8.44 4.56 0.00 4.13 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 0.00 165 L 8.34 3.89 0.00 1.67 1.70 0.81 0.78 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 0.00 166 R 8.14 3.82 0.00 1.85 1.90 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 167 V 7.42 3.54 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.90 0.00 0.00 168 I 7.79 3.64 1.93 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 1.52 0.67 0.84 0.00 0.00 169 S 8.39 4.15 0.00 4.00 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 0.00 170 S 7.89 4.26 0.00 4.04 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 0.00 171 Q 8.51 4.28 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 172 I 7.63 4.20 1.95 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 1.45 0.50 0.88 0.00 0.00 173 L 7.75 4.59 0.00 1.64 1.62 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 174 G 7.78 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 0.00 175 M 8.29 4.25 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 176 A 8.67 4.23 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 0.00 177 I 7.44 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 1.27 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.