NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7178 8.1449 118.3357 57.3530 39.0591 174.8750 3 K 3.9445 8.6870 124.8648 55.3542 32.7278 173.1585 4 E 4.2044 9.4755 124.5513 55.1252 30.9626 174.7597 5 P 4.4351 0.0000 0.0000 62.8826 32.0842 175.3891 6 F 5.0045 7.7691 114.3395 55.7274 40.6011 173.6076 7 G 4.3227 8.6708 110.0516 43.8729 0.0000 173.0484 8 V 4.6715 8.1160 113.9586 59.0741 35.8552 175.3887 9 K 4.2227 8.6839 123.7431 56.1622 33.2957 175.7994 10 V 4.7173 8.2995 125.0937 61.0340 33.7113 174.4717 11 D 4.5696 8.5861 127.7922 53.1778 40.6754 176.8598 12 F 4.6078 8.6514 126.2527 59.8413 39.2601 176.6637 13 E 4.2927 8.4592 120.1924 57.9550 29.5885 177.3609 14 T 4.3470 7.9495 106.0247 60.3174 70.4997 175.2025 15 G 3.8331 8.4890 109.7753 45.7181 0.0000 173.4945 16 I 2.7816 7.3110 121.5488 60.2657 37.7919 174.9946 17 I 4.5819 7.2102 126.0660 59.4246 37.9578 175.1318 18 E 3.9613 8.3011 125.5421 58.0648 29.6346 177.7791 19 G 3.8777 8.9118 110.3826 45.9081 0.0000 173.9246 20 A 4.0283 7.8837 123.0063 52.0851 19.1914 175.1858 21 K 3.9419 8.3647 121.0573 55.7090 31.2406 175.4834 22 K 3.5849 8.4037 127.9578 56.3366 32.8915 175.6583 23 S 4.6861 8.7057 122.4866 56.5492 64.6028 172.6162 24 V 4.5699 8.2089 126.0897 61.0752 33.9622 174.5527 25 R 4.4173 8.5099 127.3560 54.5816 31.9328 176.0327 26 R 4.5743 8.8477 123.8893 54.6280 31.7453 177.7487 27 L 3.9669 8.3998 123.1180 58.3457 42.0440 178.8497 28 S 4.4319 8.3170 112.1905 60.8729 63.3567 174.1968 29 D 4.5875 7.7219 122.5506 53.8926 40.0428 176.1283 *31 E 2.5580 7.8997 118.3957 56.9352 30.7442 175.2422 32 G 3.7487 8.1517 112.6595 46.1134 0.0000 173.2781 33 Y 4.2614 7.8163 117.6419 58.5578 39.3208 176.2050 34 F 5.0500 7.9350 116.4827 55.8045 40.8192 176.0665 35 V 3.7462 9.2991 124.2967 65.7409 31.6574 176.6804 36 D 4.7435 7.9730 120.7467 52.8201 40.1703 175.7771 37 E 4.1753 8.4944 126.6327 58.8689 29.9317 178.2410 38 R 4.0766 8.1833 117.7548 58.9858 30.2587 178.5711 39 A 4.0045 8.4067 120.7929 54.6855 18.3838 179.3234 40 W 3.9914 8.3452 126.9336 60.6706 30.8364 178.1449 41 K 3.4696 8.3951 119.4813 59.2506 31.6519 178.3884 42 E 3.8507 8.3036 119.7244 59.2081 29.5357 178.6162 43 L 3.8998 7.8304 120.3989 57.7356 41.7578 179.0796 44 V 3.2525 7.2786 118.3713 65.8703 31.1586 177.8326 45 E 3.8535 7.6759 116.8526 59.4259 29.3767 179.2197 46 K 4.1724 7.8550 117.1606 58.6383 32.2634 177.1846 47 E 4.4148 7.6152 115.5027 56.5148 35.2126 174.4890 48 D 4.1453 7.9916 115.6463 54.5016 39.9197 171.0016 49 P 4.4114 0.0000 0.0000 61.9593 32.8067 176.7029 50 V 3.8355 7.9693 119.8003 63.2169 32.1654 175.7969 51 V 4.1558 8.6927 128.0556 65.3609 32.4834 175.0610 52 Y 5.6894 7.5523 116.2432 56.0094 41.4649 172.9913 53 E 5.1574 9.4889 119.6108 54.6155 33.5986 175.1662 54 V 4.8670 8.6323 122.6207 61.3108 35.3031 173.7278 55 Y 4.9196 9.1867 125.1180 56.3567 40.0398 174.4007 56 A 5.1531 8.7078 125.9274 49.9007 22.2397 175.4323 57 V 4.0852 8.4433 121.7839 61.1710 33.5172 174.1827 58 E 5.0944 8.6178 126.6822 54.6790 32.8152 175.8501 59 Q 4.5531 8.9577 121.9668 53.5895 31.0674 175.2676 60 E 3.8715 8.6483 120.0127 56.4330 29.8416 176.3527 61 E 4.1889 8.6172 123.0141 56.0394 29.7239 176.1046 62 K 4.5344 8.2553 123.9872 54.2805 35.3845 174.5511 63 E 4.2741 8.1130 125.9856 57.3391 29.9074 177.0742 64 G 3.9371 9.0201 114.2185 45.1331 0.0000 172.6430 65 D 4.8290 7.5618 119.6470 53.2813 43.4334 174.8248 66 L 5.1361 8.1859 119.8511 53.0296 45.3300 176.1406 67 N 5.0508 8.8311 120.6586 51.7779 41.4316 173.8076 68 F 5.5640 8.1301 114.3412 55.9184 42.0946 173.1299 69 A 5.2687 9.3102 120.2450 51.3244 22.9321 175.5815 70 T 4.9484 8.9177 111.1156 60.6385 72.0002 173.7448 71 T 4.9085 7.9148 118.7976 61.7274 72.6303 173.2392 72 V 3.9582 8.7728 126.1529 61.1788 33.4496 174.2562 73 L 5.0476 8.5127 132.2904 53.7575 43.0625 175.5039 74 Y 4.7572 9.1052 125.1992 57.1091 38.8369 174.0905 75 P 4.5540 0.0000 0.0000 61.8872 32.6941 175.9463 76 G 2.9115 7.4537 111.7670 45.2929 0.0000 171.2199 77 K 4.8483 7.4814 117.4020 54.4408 36.1374 176.8484 78 V 4.0845 8.7077 122.5665 61.7275 32.6769 177.2135 79 G 3.8045 8.1705 120.0446 47.0055 0.0000 174.6094 80 K 4.0857 8.7362 126.7079 56.1015 32.8029 174.7342 81 E 4.9405 7.9096 122.0089 54.6457 30.7558 175.5248 82 F 4.9332 8.5508 126.0154 57.4454 39.9908 175.3690 83 F 4.7240 9.2933 121.3480 58.8541 39.9360 174.4642 84 F 5.6169 8.3968 116.1660 55.7832 41.0907 173.8657 85 T 3.8287 8.5580 109.8005 60.5871 69.6101 175.0341 86 K 3.7584 8.5312 122.8993 58.8082 32.2508 178.5628 87 G 4.5590 10.0513 103.1236 44.2805 0.0000 171.8133 88 H 4.8056 7.7352 113.9856 54.4372 31.6424 172.9832 89 F 4.7338 8.5699 118.5617 57.0185 40.6163 175.1061 90 H 4.9184 8.6675 117.3427 55.9089 28.9582 175.7979 91 A 4.0925 8.6575 123.2640 54.9857 19.3619 178.0750 92 K 4.2120 8.2684 118.0872 55.0611 31.9310 178.0913 93 L 3.9753 8.5213 127.0278 57.5775 41.8039 178.9056 94 D 3.9147 7.5076 114.8019 53.4363 39.8213 176.4273 95 R 4.1856 7.7573 119.9160 56.4969 31.2814 176.1115 96 A 4.7552 8.4477 124.2619 50.8756 21.5370 175.4245 97 E 5.0550 8.8378 117.0710 54.9280 34.7305 175.2638 98 V 4.9312 8.8347 120.4270 61.5833 34.6560 173.8587 99 Y 5.2011 9.1001 125.1908 56.2190 41.2795 174.9253 100 V 4.7444 8.9942 122.2800 60.8950 34.5094 174.4984 101 A 4.4126 9.0523 131.1827 52.1749 18.9130 177.4146 102 L 4.2832 8.6929 121.7587 55.6814 44.3188 177.0788 103 K 4.4123 7.9796 117.4784 56.6082 35.7244 177.0995 104 G 3.9521 9.2368 113.4182 44.3717 0.0000 171.6689 105 K 4.4621 8.2529 118.4543 54.6432 35.2365 175.4223 106 G 2.9819 7.0458 115.8115 46.4086 0.0000 171.1878 107 G 2.9312 7.3536 112.8365 45.1569 0.0000 173.7761 *109 L 4.5994 7.9386 123.9922 54.4576 43.1174 175.3336 110 L 5.4833 8.9849 123.1489 53.2543 45.7605 175.3270 111 Q 5.2491 9.1050 121.9610 55.0886 33.0255 174.6136 112 T 4.1781 8.2488 116.2060 59.7701 70.0636 173.9849 113 P 4.2921 0.0000 0.0000 65.4184 31.3322 177.8876 114 E 4.0523 7.5246 116.0506 57.1863 29.5595 177.5559 115 G 4.1435 7.8179 105.5497 44.8343 0.0000 173.6230 116 D 4.5805 8.0199 120.4800 54.1383 41.8942 175.1557 117 A 5.5741 8.5969 123.8742 50.1074 22.3103 175.1246 118 K 4.7144 9.3334 120.7311 54.3265 36.1593 174.6756 119 W 5.0159 8.8578 135.0000 55.5543 33.0685 174.5088 120 I 4.1294 6.9834 126.5093 59.3993 39.7568 176.2693 121 S 3.9438 8.0421 124.4294 57.6867 64.1724 172.8555 *123 E 4.1799 8.3192 117.8774 55.5876 30.3148 173.0736 124 P 4.5697 0.0000 0.0000 64.6108 31.5263 177.0783 125 G 3.9932 8.8303 111.9756 45.2327 0.0000 173.6551 126 T 4.1131 8.0052 117.8969 63.3873 69.5268 173.6625 127 V 4.7191 8.3635 126.3467 61.1839 33.5336 174.6858 128 V 4.2815 8.7212 127.9959 61.1973 33.9230 173.5381 129 Y 4.6534 8.5691 129.5049 56.6574 39.6515 175.0677 130 V 3.6293 8.1589 129.0103 60.7570 32.1001 173.6847 131 P 4.3035 0.0000 0.0000 60.7542 32.9661 174.3145 132 P 4.3376 0.0000 0.0000 64.1625 31.5416 176.7883 133 Y 3.9807 8.6510 119.1301 57.6527 36.8057 169.1836 134 W 4.9529 7.7811 119.5547 55.4440 30.5541 176.3496 135 A 4.1956 8.5202 126.2556 51.8891 19.7795 176.0161 136 H 5.3872 8.4591 113.7271 54.2744 32.3047 172.5093 137 R 4.7469 8.5499 121.1537 54.8236 33.1542 174.1680 138 T 4.7474 8.5241 115.8269 60.2330 71.8660 173.5817 139 V 5.1247 8.6945 122.3273 61.4025 35.3909 173.5398 140 N 4.7237 9.1542 127.0339 52.0350 39.5338 174.2416 141 I 2.5195 7.7798 119.0110 59.8017 38.0468 175.2692 142 G 4.2912 8.0527 110.9839 44.5054 0.0000 172.4471 143 D 4.7574 8.6396 117.2745 54.1534 41.6979 175.6111 144 E 4.9292 7.7091 115.9508 53.1621 33.0445 173.7819 145 P 4.4856 0.0000 0.0000 63.2832 32.2420 175.6535 146 F 5.2514 9.2449 126.0793 56.7998 41.3432 174.2751 147 I 4.9734 8.8933 127.2578 58.3927 40.4334 174.7473 148 F 5.1819 7.4235 119.7391 55.5064 41.8877 172.3899 149 L 5.2858 8.9554 121.0960 53.1832 44.8101 174.8038 150 A 4.8871 9.2227 127.3573 50.0193 22.3661 174.8112 151 I 5.2014 8.8811 122.5404 59.6881 40.5759 174.3689 152 Y 5.2525 8.4595 123.4152 54.8512 41.9848 172.4904 153 P 4.8327 0.0000 0.0000 62.8354 31.7461 177.5633 154 A 4.0671 9.1328 126.8781 54.3061 18.6286 178.6236 155 D 4.9549 7.9639 114.0486 53.0318 40.1335 178.0903 156 A 3.7719 8.1925 125.7920 53.7930 18.5713 180.0969 157 G 4.2145 8.1212 103.7833 45.1646 0.0000 171.8848 158 H 4.8673 8.5568 114.1152 54.1595 32.6449 173.1443 159 D 4.8599 9.1108 123.8587 52.3925 41.3501 175.4577 160 Y 4.4601 8.4879 124.0327 59.9635 38.3104 177.5092 161 G 3.7026 8.3425 106.7196 48.0934 0.0000 175.6539 162 T 3.9400 8.1502 117.7086 66.6010 68.4169 176.8537 163 I 3.7919 7.9034 120.9728 64.1952 37.0497 178.0164 164 A 3.4160 8.2093 121.2929 54.6290 18.1511 178.9427 165 E 4.1040 7.8361 114.5514 58.5410 30.4121 178.1998 166 K 4.2881 7.9047 117.0245 55.9286 33.5376 177.8940 167 G 3.9992 8.2794 108.0605 44.8428 0.0000 172.6839 168 F 4.4996 8.4088 116.3224 56.0240 40.6860 176.7630 169 S 3.4036 8.5613 117.0763 59.3408 63.6797 173.7814 170 K 5.1694 7.5407 119.8447 54.5529 35.6796 175.4822 171 I 4.6841 8.6930 115.7671 59.0786 41.6178 174.4091 172 V 4.7535 8.4230 122.7644 61.2571 33.9866 174.2388 173 I 5.1315 8.8448 120.7956 59.1010 41.7737 173.4736 174 E 5.1670 8.4078 123.2130 54.4543 31.4555 175.0684 175 E 4.5942 8.6538 125.6779 55.7773 33.1100 175.5286 176 N 3.8746 9.7067 120.0035 54.5182 36.1212 175.1349 177 G 3.9700 8.5314 102.6503 45.8973 0.0000 173.7936 178 E 4.6999 7.8369 118.8319 53.9113 32.5645 175.2640 179 V 4.5346 8.3455 123.0583 62.7849 32.4671 175.2323 180 K 4.6073 9.4529 126.8018 54.4932 35.9943 175.1388 181 V 4.5264 8.1752 123.5692 61.3761 32.8777 175.0326 182 V 4.6323 8.4273 120.1752 59.1962 36.4947 174.7042 183 D 4.7442 8.7112 121.7990 54.8764 41.8428 175.9865 184 N 4.7012 9.0366 122.3171 52.4261 39.2066 174.1935 185 P 4.3653 0.0000 0.0000 65.5050 31.5821 177.1884 186 R 4.4130 8.2581 116.3207 55.4457 30.0124 175.8324 187 W 4.3584 8.0201 129.2423 57.1601 30.5785 176.0787 188 K 3.8729 7.8194 126.5406 55.9828 31.1230 176.8044 189 K 3.6322 7.6459 124.1373 57.0566 32.3057 174.1578 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 2 Y 8.14 4.72 0.00 3.03 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 3 K 8.69 3.94 0.00 1.90 1.84 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 E 9.48 4.20 0.00 1.98 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 2.37 2.49 0.00 5 P 0.00 4.44 0.00 2.08 1.92 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 6 F 7.77 5.00 0.00 3.10 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 7 G 8.67 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.12 4.67 2.23 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 0.99 0.00 0.00 1.28 0.00 0.00 9 K 8.68 4.22 0.00 1.71 1.70 0.00 1.61 0.00 0.00 1.90 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.43 7.81 10 V 8.30 4.72 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 0.94 0.00 0.00 1.05 0.00 0.00 11 D 8.59 4.57 0.00 2.71 2.52 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 0.00 0.00 0.00 12 F 8.65 4.61 0.00 2.92 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 13 E 8.46 4.29 0.00 2.13 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 2.37 2.41 0.00 14 T 7.95 4.35 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 1.22 0.00 0.00 15 G 8.49 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 16 I 7.31 2.78 1.68 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 1.02 0.91 0.59 0.00 0.00 17 I 7.21 4.58 1.92 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 1.04 0.00 0.00 18 E 8.30 3.96 0.00 1.99 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 2.33 2.44 0.00 19 G 8.91 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.88 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.36 3.94 0.00 1.90 2.01 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.40 7.81 22 K 8.40 3.58 0.00 1.51 1.58 0.00 1.92 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.99 7.81 23 S 8.71 4.69 0.00 3.83 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 24 V 8.21 4.57 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 0.79 0.00 0.00 0.85 0.00 0.00 25 R 8.51 4.42 0.00 0.67 1.23 0.00 3.11 0.00 0.00 2.94 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.89 0.00 26 R 8.85 4.57 0.00 1.70 1.90 0.00 3.08 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 27 L 8.40 3.97 0.00 1.40 1.68 0.71 0.56 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 28 S 8.32 4.43 0.00 4.06 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 29 D 7.72 4.59 0.00 2.81 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 *31 E 7.90 2.56 0.00 1.90 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 1.84 1.47 0.00 32 G 8.15 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 0.00 0.00 0.00 33 Y 7.82 4.26 0.00 2.93 2.95 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 34 F 7.93 5.05 0.00 3.14 3.19 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 35 V 9.30 3.75 2.23 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 0.80 0.00 0.00 1.11 0.00 0.00 36 D 7.97 4.74 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 E 8.49 4.18 0.00 2.10 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 2.47 2.36 0.00 38 R 8.18 4.08 0.00 1.95 2.01 0.00 3.22 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 39 A 8.41 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 W 8.35 3.99 0.00 3.47 3.52 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 0.00 0.00 0.00 41 K 8.40 3.47 0.00 2.22 2.00 0.00 1.64 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.42 7.81 42 E 8.30 3.85 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 43 L 7.83 3.90 0.00 1.81 1.45 0.89 0.85 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 44 V 7.28 3.25 1.46 0.00 0.00 0.00 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0.00 61 E 8.62 4.19 0.00 2.26 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 2.30 2.34 0.00 62 K 8.26 4.53 0.00 1.81 1.63 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 63 E 8.11 4.27 0.00 1.97 1.86 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 2.31 2.29 0.00 64 G 9.02 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 0.00 0.00 0.00 65 D 7.56 4.83 0.00 2.70 2.55 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 66 L 8.19 5.14 0.00 1.51 1.48 0.91 0.98 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 67 N 8.83 5.05 0.00 1.44 2.01 0.00 0.00 6.30 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 68 F 8.13 5.56 0.00 3.22 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 69 A 9.31 5.27 1.42 0.00 0.00 0.00 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4.13 1.41 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.09 0.65 0.00 0.00 121 S 8.04 3.94 0.00 3.81 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 *123 E 8.32 4.18 0.00 2.19 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 2.25 2.34 0.00 124 P 0.00 4.57 0.00 2.08 2.25 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 2.07 2.16 0.00 125 G 8.83 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 0.00 126 T 8.01 4.11 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 1.20 0.00 0.00 127 V 8.36 4.72 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 0.81 0.00 0.00 0.93 0.00 0.00 128 V 8.72 4.28 1.90 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 0.66 0.00 0.00 0.75 0.00 0.00 129 Y 8.57 4.65 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.16 3.63 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 0.57 0.00 0.00 0.55 0.00 0.00 131 P 0.00 4.30 0.00 2.27 2.04 0.00 2.97 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 1.58 1.73 0.00 132 P 0.00 4.34 0.00 2.29 2.04 0.00 3.96 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 133 Y 8.65 3.98 0.00 3.14 3.15 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 0.00 134 W 7.78 4.95 0.00 3.09 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 0.00 135 A 8.52 4.20 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 H 8.46 5.39 0.00 2.93 3.14 0.00 5.21 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 0.00 137 R 8.55 4.75 0.00 1.28 0.75 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.38 0.00 138 T 8.52 4.75 4.38 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 0.64 0.00 0.00 139 V 8.69 5.12 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.16 0.00 0.00 140 N 9.15 4.72 0.00 3.06 2.92 0.00 0.00 7.12 7.96 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 0.00 141 I 7.78 2.52 1.20 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.59 0.00 0.00 142 G 8.05 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 0.00 143 D 8.64 4.76 0.00 2.69 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 0.00 144 E 7.71 4.93 0.00 1.97 1.93 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 2.19 2.35 0.00 145 P 0.00 4.49 0.00 1.90 1.73 0.00 3.69 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 2.07 2.16 0.00 146 F 9.24 5.25 0.00 3.06 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 0.00 147 I 8.89 4.97 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.73 0.82 0.00 0.00 148 F 7.42 5.18 0.00 3.00 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 0.00 149 L 8.96 5.29 0.00 1.69 1.45 1.10 1.00 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 0.00 150 A 9.22 4.89 0.64 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 0.00 0.00 151 I 8.88 5.20 1.92 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 1.25 0.87 0.93 0.00 0.00 152 Y 8.46 5.25 0.00 3.02 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 0.00 153 P 0.00 4.83 0.00 2.10 2.02 0.00 3.65 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 2.13 0.00 154 A 9.13 4.07 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 0.00 155 D 7.96 4.95 0.00 2.83 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 0.00 156 A 8.19 3.77 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 0.00 157 G 8.12 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 0.00 158 H 8.56 4.87 0.00 3.15 2.96 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 9.11 4.86 0.00 2.71 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 0.00 160 Y 8.49 4.46 0.00 3.24 3.13 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 0.00 0.00 0.00 161 G 8.34 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 0.00 162 T 8.15 3.94 4.49 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 1.27 0.00 0.00 163 I 7.90 3.79 2.17 0.00 0.00 nan 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 0.94 1.22 0.00 0.00 164 A 8.21 3.42 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 0.00 165 E 7.84 4.10 0.00 2.09 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 2.55 2.37 0.00 166 K 7.90 4.29 0.00 2.00 1.99 0.00 1.52 0.00 0.00 1.53 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.19 1.35 7.81 167 G 8.28 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 F 8.41 4.50 0.00 2.97 2.83 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 0.00 169 S 8.56 3.40 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 7.54 5.17 0.00 1.75 1.67 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.27 7.81 171 I 8.69 4.68 1.98 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 1.27 0.86 1.07 0.00 0.00 172 V 8.42 4.75 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.61 0.00 0.00 173 I 8.84 5.13 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 1.10 0.69 0.94 0.00 0.00 174 E 8.41 5.17 0.00 1.67 1.59 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 2.19 2.45 0.00 175 E 8.65 4.59 0.00 2.01 1.75 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 2.19 2.22 0.00 176 N 9.71 3.87 0.00 2.83 2.89 0.00 0.00 7.07 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 0.00 177 G 8.53 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 0.00 0.00 0.00 178 E 7.84 4.70 0.00 1.98 1.81 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 2.41 2.34 0.00 179 V 8.35 4.53 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 0.65 0.00 0.00 0.95 0.00 0.00 180 K 9.45 4.61 0.00 1.61 1.58 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.32 7.81 181 V 8.18 4.53 1.83 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 0.66 0.00 0.00 0.04 0.00 0.00 182 V 8.43 4.63 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 0.65 0.00 0.00 0.93 0.00 0.00 183 D 8.71 4.74 0.00 2.58 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 0.00 184 N 9.04 4.70 0.00 2.86 2.84 0.00 0.00 6.86 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 P 0.00 4.37 0.00 2.27 2.22 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 186 R 8.26 4.41 0.00 2.05 2.03 0.00 3.22 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 187 W 8.02 4.36 0.00 3.34 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 0.00 188 K 7.82 3.87 0.00 1.37 1.47 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.36 7.81 189 K 7.65 3.63 0.00 0.79 1.28 0.00 2.07 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.04 1.09 7.81 * Residues marked with a * may have inaccurate shift predictions.