NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6640 8.4244 119.2037 53.7030 40.9630 175.8817 7 E 3.8743 8.3669 117.0051 58.4468 29.8850 176.3951 8 S 4.4230 7.7968 112.4098 60.2458 63.3674 175.0930 9 E 4.0444 8.1394 120.1286 58.9489 29.1756 179.1939 10 I 3.6538 7.6140 114.0570 64.0320 37.6730 177.8241 11 I 3.6511 7.7393 120.2441 63.9735 37.0526 177.3396 12 E 4.0541 7.9545 119.5119 59.4353 28.3772 178.7612 13 R 3.8946 8.2538 118.3592 59.7331 29.9262 179.0402 14 L 4.1085 7.9570 118.1475 57.6082 41.3687 179.2875 15 N 4.4685 7.8761 116.1683 56.0168 38.6407 176.3989 16 S 4.2015 7.4548 107.7476 59.2968 63.3683 174.0221 17 A 4.1658 7.6822 125.5962 51.8948 17.8593 175.0082 18 P 4.8591 0.0000 0.0000 62.7245 31.9331 175.9313 19 S 4.5815 7.5143 111.8946 56.8520 66.4230 175.6479 20 V 3.4984 8.0596 122.2385 66.2756 31.2719 178.4632 21 R 4.2332 8.0874 115.5359 59.1367 29.3707 178.3084 22 G 3.8422 8.0038 106.1116 47.9823 0.0000 174.6769 23 F 4.0692 8.8324 122.7813 61.2817 39.6347 176.8020 24 F 3.9659 8.7122 116.7002 60.7443 38.8667 177.7810 25 I 3.7275 8.3634 119.3466 64.5615 36.7573 178.3875 26 A 3.9656 8.0217 120.3294 54.5407 18.3757 179.5536 27 T 3.5481 7.3568 108.7607 64.8490 69.2086 177.6963 28 V 3.8966 7.6640 115.2909 63.6924 31.4633 177.7909 29 D 4.4023 8.0921 118.9112 57.6859 40.6849 179.4797 30 V 3.6739 7.9276 118.4092 65.6929 31.6018 177.9917 31 F 4.5207 7.6726 117.0703 60.7418 38.7713 176.7093 32 N 4.3155 8.8557 116.9394 57.0995 38.6561 176.6547 33 E 4.1075 7.9748 118.1856 58.8903 29.2912 179.1168 34 S 4.1262 8.1980 113.7579 61.4990 62.6049 176.3534 35 I 3.8183 8.5878 115.9995 63.6168 37.3376 177.4838 36 D 4.4307 8.2212 120.4511 57.3996 40.7119 178.3665 37 G 3.7399 8.2857 106.1413 47.8019 0.0000 175.2273 38 L 4.1206 7.3995 121.2416 57.6637 42.6688 178.5327 39 I 4.0318 8.5154 120.2280 64.4414 37.1586 178.2803 40 Q 4.2183 8.2699 118.8078 59.3275 28.4399 179.3748 41 R 4.1052 7.7155 116.9954 58.1484 30.1481 178.0180 42 I 4.2198 7.1715 109.6450 59.6132 38.2510 175.0785 43 F 4.5416 7.4115 120.1156 56.8873 40.3013 175.7717 44 R 3.7693 7.9048 124.5988 55.6049 27.7617 175.9409 45 K 4.3095 8.5553 124.0327 58.4733 33.3290 177.9810 46 D 4.5934 7.9232 123.0411 53.9175 41.4755 176.7114 47 N 4.0348 8.9955 105.1988 53.6112 35.6227 173.8059 48 F 4.5668 8.7810 124.3535 61.4516 39.1944 176.0235 49 A 4.2314 8.2132 119.9168 54.8495 18.2494 179.4631 50 V 3.7209 7.7260 115.6604 65.9932 31.6319 178.0009 51 Q 4.0447 8.4652 118.0663 58.4783 28.4941 178.4227 52 S 3.9578 8.3617 116.9446 60.4517 62.7138 176.2338 53 V 3.9302 7.4714 120.5091 63.4592 32.2435 177.9944 54 V 3.5013 7.8559 118.4212 66.0183 31.5700 177.3792 55 G 3.7229 8.5876 104.7734 48.1405 0.0000 173.2406 56 P 4.6873 0.0000 0.0000 64.0538 31.5301 178.5162 57 L 3.9487 7.7876 118.9006 57.5867 41.8259 178.2236 58 L 4.4223 7.6016 116.2115 53.8078 42.6827 176.6525 59 Q 4.2367 7.4809 117.5131 55.6288 29.5799 177.0084 60 D 4.5288 8.5428 118.6203 57.5708 40.6801 178.8451 61 S 4.4527 7.8886 109.6011 58.3429 64.0115 174.1887 62 G 3.9531 7.4115 110.3913 43.7710 0.0000 172.7511 63 P 4.2998 0.0000 0.0000 64.7596 31.2864 177.6219 64 L 4.6795 7.9401 117.1543 54.5220 42.3975 177.4353 65 G 4.4145 7.4714 106.1070 43.2277 0.0000 175.5566 66 D 4.3551 7.3284 113.7605 51.9095 45.2161 174.3667 67 L 3.9518 8.4507 128.9708 58.5073 42.4048 178.8917 68 S 4.1208 8.3878 113.0453 61.2842 62.2971 176.2885 69 V 3.6529 7.9179 120.5678 66.1398 31.4175 178.0921 70 R 4.0675 8.5372 118.0982 59.0945 29.7152 179.1770 71 L 4.1328 8.1248 119.0883 57.6858 41.6964 179.5099 72 K 3.9871 8.1515 118.2589 59.2875 31.9325 178.9137 73 L 3.9436 8.0058 120.5348 58.4880 42.0408 179.0583 74 L 3.9899 8.0261 118.6478 57.8223 41.6355 179.4425 75 F 4.4115 8.5403 121.0380 61.0219 39.0546 177.5854 76 G 3.4533 8.4052 104.8372 47.6419 0.0000 175.0405 77 L 4.2306 7.9426 118.7760 54.5470 41.8202 177.2766 78 G 3.7070 7.6213 106.6820 46.6973 0.0000 174.7717 79 V 4.0996 7.8414 120.3166 62.0638 33.1459 175.1036 80 L 4.6988 7.7699 121.4615 52.0024 43.7350 174.4354 81 P 4.4182 0.0000 0.0000 63.2619 32.8262 176.2657 82 D 4.3728 8.9906 120.9301 58.3165 40.7741 179.3634 83 D 4.2792 8.0598 118.2100 57.4139 40.8356 178.9354 84 I 3.6460 7.6428 119.8960 64.2740 37.0972 177.5666 85 Y 3.8704 7.7282 120.1267 61.0089 38.6124 177.9974 86 H 3.7506 7.9978 116.9490 58.7926 28.6145 177.1728 87 D 4.3058 8.2175 120.8881 57.6778 40.6714 178.9647 88 I 3.3681 7.3684 119.6218 64.4688 37.0492 178.1304 89 E 3.7512 7.7697 119.2150 59.6772 29.1765 179.4072 90 D 4.2956 8.4324 118.9312 57.3179 40.8034 178.7910 91 I 3.8600 8.0161 120.5358 64.4867 37.1581 178.4744 92 I 3.7220 8.1775 120.9270 64.4129 36.9730 178.1776 93 K 3.7309 8.2882 120.7418 59.5508 31.7415 178.3707 94 L 3.7764 8.1888 120.7656 57.7332 42.1134 178.4411 95 K 3.8154 8.0859 119.7237 60.0124 31.9213 178.1630 96 N 4.3699 7.9678 115.1142 56.5125 38.6532 176.8663 97 H 4.4895 7.7678 117.5676 57.8386 28.7929 177.4662 98 L 4.0556 8.2619 122.2045 57.9103 41.3145 178.5675 99 N 4.8316 8.1047 112.7562 53.8510 38.2184 175.5619 100 S 4.6724 8.3517 115.0022 57.5260 63.7942 172.4090 101 D 5.1121 7.9045 120.0501 52.6557 42.4225 176.1409 102 A 4.1410 8.5624 128.9613 54.0581 18.9142 177.6511 103 S 4.2603 8.2900 112.1781 58.1050 63.6239 173.2507 104 D 4.7054 7.8114 121.4438 52.7558 42.7859 175.6496 105 Y 4.9218 7.8642 118.4492 56.2576 41.6988 175.0782 106 E 4.4682 10.3537 121.5772 54.8598 31.1310 177.8503 107 F 4.1383 8.4679 119.5413 60.9153 39.0704 177.0269 108 T 4.1562 7.8776 115.2734 65.1470 68.7798 174.9620 109 D 4.6992 8.1271 122.7563 52.8476 43.2583 175.2123 110 P 4.1961 0.0000 0.0000 66.0984 31.1932 178.4350 111 N 4.3114 7.9328 113.3753 55.4211 39.0770 175.6843 112 I 4.1388 7.3129 119.7190 63.8051 38.4585 176.5840 113 L 3.8732 8.1793 120.6340 58.7208 41.7398 178.5352 114 E 3.8919 8.1005 116.1320 59.4460 29.5101 177.7347 115 P 4.2387 0.0000 0.0000 66.0472 31.8287 178.1874 116 I 3.9307 7.8864 118.1747 64.5011 36.8242 178.4342 117 K 4.0219 8.0165 119.2614 59.3217 32.0573 178.7758 118 K 4.2012 7.8933 118.0106 57.6519 32.1962 177.3920 119 L 4.2049 7.4432 119.7969 54.5331 42.0060 177.2343 120 H 4.0763 9.1832 121.8045 59.3218 28.4718 177.1198 121 L 4.1165 8.0565 119.7956 57.3403 41.9661 179.0145 122 V 3.8161 7.6471 112.1086 64.2901 31.7572 177.7128 123 K 3.9518 8.1696 117.6063 59.0869 32.4045 176.6080 124 K 4.2319 7.5788 118.9540 56.3322 31.8709 178.7215 *126 G 3.5925 7.6813 106.7228 45.3678 0.0000 171.0599 *128 V 3.8846 7.6814 114.6725 61.5460 33.0093 175.2164 129 Q 4.5912 8.1435 120.3294 55.1912 30.6402 172.7838 130 L 4.9068 7.8663 119.2463 53.9782 43.7317 175.2165 131 E 4.8647 8.1754 112.6608 55.8198 32.2450 176.2755 132 V 4.5169 8.2174 124.5646 62.1940 31.7448 174.4423 133 N 4.8669 8.0200 114.6956 52.2595 38.4432 177.1142 *138 D 4.2325 8.7474 125.7005 54.8938 40.6687 174.1422 139 I 3.8675 7.8041 124.9401 60.5151 39.4530 174.8810 140 D 4.2216 8.4046 114.2327 55.5269 38.3716 172.5986 141 L 4.4570 7.8636 120.8363 55.2949 41.3309 178.6827 142 E 4.0179 8.1543 121.6442 59.3154 29.6498 178.3005 143 F 3.9468 8.4525 114.0857 59.5834 37.6206 176.5090 144 Y 3.9030 7.3850 120.1892 60.3663 38.4855 176.7637 145 Q 3.6862 7.6958 120.1004 59.2029 29.0311 178.0646 146 L 4.0602 8.5345 120.6156 58.0872 42.4212 178.6895 147 Q 4.1550 7.7490 118.2547 58.6520 28.6361 178.3195 148 L 3.8515 7.7946 119.9304 58.5547 41.4696 179.9396 149 Q 3.7582 7.2673 116.5868 59.3649 29.6922 178.7894 150 R 3.9619 8.6042 119.7900 56.9562 29.8177 179.8500 151 Q 3.6943 7.6960 119.2864 59.0837 29.7870 179.6700 152 Q 4.0868 8.2751 119.6783 58.5843 28.7122 178.4914 153 Q 3.9184 8.6560 118.9468 58.6422 28.9099 178.2114 154 I 3.6829 7.7501 121.1521 63.4128 36.5834 177.1458 155 I 3.9878 7.2506 118.2382 61.8129 38.8250 177.4812 156 K 2.7179 7.4665 120.9191 58.8790 31.8249 178.8698 157 S 4.0852 7.9484 113.6056 61.3021 62.3899 176.2825 158 G 3.7024 7.6972 108.4614 47.6212 0.0000 175.3805 159 L 4.0381 7.3942 122.2097 57.9010 42.1535 178.9608 160 S 4.1389 8.0828 115.1877 61.7478 62.8561 176.4118 161 L 3.9496 8.2579 121.6656 57.9945 41.2670 179.4974 162 A 4.0346 7.8666 120.2546 55.4635 18.2118 179.8566 163 I 3.9260 8.1859 118.9089 64.3865 37.1857 179.0502 164 V 3.6385 8.3739 120.5037 64.7892 31.2476 178.0812 165 E 3.9856 8.2550 119.2863 59.5245 29.3911 179.5736 166 I 3.8204 7.6940 119.5688 64.4259 37.2185 178.4524 167 C 4.2236 7.9351 117.8554 62.9617 27.8336 175.5522 168 N 4.3425 8.0637 116.7769 56.9784 38.4944 176.7385 169 E 4.0574 8.1770 119.4079 58.8820 29.3598 179.0915 170 L 4.0724 8.0677 120.3755 58.1832 41.9456 179.8419 171 G 3.7846 7.7959 104.0183 46.1952 0.0000 173.5062 172 K 4.1811 7.7990 125.9279 56.4740 32.5188 175.3695 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 6 N 8.42 4.66 0.00 2.70 2.91 0.00 0.00 6.95 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.37 3.87 0.00 2.08 1.96 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 2.29 2.37 0.00 8 S 7.80 4.42 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 9 E 8.14 4.04 0.00 2.21 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 2.39 2.34 0.00 10 I 7.61 3.65 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 1.60 0.60 0.96 0.00 0.00 11 I 7.74 3.65 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.90 0.00 0.00 12 E 7.95 4.05 0.00 2.04 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 2.30 2.39 0.00 13 R 8.25 3.89 0.00 1.95 1.90 0.00 3.26 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 14 L 7.96 4.11 0.00 1.72 1.77 0.79 -0.12 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 15 N 7.88 4.47 0.00 2.68 2.89 0.00 0.00 7.05 8.04 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 16 S 7.45 4.20 0.00 3.97 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 17 A 7.68 4.17 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 18 P 0.00 4.86 0.00 2.21 2.16 0.00 3.85 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 1.95 1.96 0.00 19 S 7.51 4.58 0.00 4.01 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 20 V 8.06 3.50 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 1.11 0.00 0.00 -0.06 0.00 0.00 21 R 8.09 4.23 0.00 2.15 2.23 0.00 3.04 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 22 G 8.00 3.84 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 0.00 0.00 0.00 23 F 8.83 4.07 0.00 3.13 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 3.97 0.00 3.51 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 25 I 8.36 3.73 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.92 0.00 0.00 26 A 8.02 3.97 1.17 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 0.00 0.00 0.00 27 T 7.36 3.55 3.57 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 0.00 0.00 0.00 0.16 0.00 0.00 28 V 7.66 3.90 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 0.92 0.00 0.00 0.97 0.00 0.00 29 D 8.09 4.40 0.00 2.77 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 30 V 7.93 3.67 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 0.89 0.00 0.00 0.78 0.00 0.00 31 F 7.67 4.52 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 32 N 8.86 4.32 0.00 2.93 2.94 0.00 0.00 7.25 7.59 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 33 E 7.97 4.11 0.00 2.11 1.99 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 2.33 2.63 0.00 34 S 8.20 4.13 0.00 4.20 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.59 3.82 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.98 0.00 0.00 36 D 8.22 4.43 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.29 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.40 4.12 0.00 1.67 1.92 0.95 1.04 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 39 I 8.52 4.03 2.17 0.00 0.00 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 1.74 1.04 1.00 0.00 0.00 40 Q 8.27 4.22 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 41 R 7.72 4.11 0.00 1.79 2.01 0.00 3.17 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 42 I 7.17 4.22 1.65 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 -0.15 0.91 0.00 0.00 43 F 7.41 4.54 0.00 3.15 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 44 R 7.90 3.77 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 45 K 8.56 4.31 0.00 1.78 1.90 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.46 7.81 46 D 7.92 4.59 0.00 2.66 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 47 N 9.00 4.03 0.00 2.95 2.95 0.00 0.00 6.47 8.13 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 48 F 8.78 4.57 0.00 3.02 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 49 A 8.21 4.23 1.34 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 0.00 0.00 0.00 50 V 7.73 3.72 2.24 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 1.22 0.00 0.00 0.97 0.00 0.00 51 Q 8.47 4.04 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.75 2.86 0.00 52 S 8.36 3.96 0.00 3.81 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 53 V 7.47 3.93 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 0.87 0.00 0.00 0.93 0.00 0.00 54 V 7.86 3.50 2.22 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 0.71 0.00 0.00 1.01 0.00 0.00 55 G 8.59 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.69 0.00 2.12 2.09 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.96 0.00 57 L 7.79 3.95 0.00 1.90 1.59 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.60 4.42 0.00 1.51 1.57 0.54 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.48 4.24 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 60 D 8.54 4.53 0.00 2.66 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 61 S 7.89 4.45 0.00 3.96 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 62 G 7.41 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 63 P 0.00 4.30 0.00 2.05 2.13 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 64 L 7.94 4.68 0.00 1.63 1.63 0.93 0.79 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 65 G 7.47 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 0.00 0.00 0.00 0.00 66 D 7.33 4.36 0.00 2.71 2.48 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 67 L 8.45 3.95 0.00 1.78 1.68 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.39 4.12 0.00 3.96 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 69 V 7.92 3.65 2.24 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 1.10 0.00 0.00 0.96 0.00 0.00 70 R 8.54 4.07 0.00 2.03 2.04 0.00 3.52 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 71 L 8.12 4.13 0.00 2.07 2.05 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.15 3.99 0.00 2.02 1.93 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.84 1.83 7.81 73 L 8.01 3.94 0.00 1.84 1.93 0.99 0.75 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 74 L 8.03 3.99 0.00 2.18 1.79 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.54 4.41 0.00 2.65 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 76 G 8.41 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.94 4.23 0.00 1.64 1.66 0.87 1.24 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 78 G 7.62 3.71 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 0.00 0.00 0.00 79 V 7.84 4.10 2.20 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 0.80 0.00 0.00 0.90 0.00 0.00 80 L 7.77 4.70 0.00 1.73 1.72 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.42 0.00 2.33 2.21 0.00 3.82 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 2.10 2.10 0.00 82 D 8.99 4.37 0.00 2.84 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 83 D 8.06 4.28 0.00 2.65 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 84 I 7.64 3.65 2.01 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 1.52 0.92 0.85 0.00 0.00 85 Y 7.73 3.87 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.00 3.75 0.00 3.23 3.24 0.00 5.69 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 87 D 8.22 4.31 0.00 2.82 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 88 I 7.37 3.37 1.64 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.23 0.64 0.00 0.00 89 E 7.77 3.75 0.00 1.64 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 1.48 1.47 0.00 90 D 8.43 4.30 0.00 2.60 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 91 I 8.02 3.86 2.20 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.80 3.87 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.94 0.00 0.00 140 D 8.40 4.22 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.86 4.46 0.00 1.89 1.85 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.15 4.02 0.00 2.10 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 2.33 2.40 0.00 143 F 8.45 3.95 0.00 3.25 3.34 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 0.00 144 Y 7.38 3.90 0.00 2.47 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 0.00 145 Q 7.70 3.69 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 146 L 8.53 4.06 0.00 1.65 1.88 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 7.75 4.15 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.91 0.00 148 L 7.79 3.85 0.00 1.67 1.61 0.65 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.27 3.76 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 150 R 8.60 3.96 0.00 2.11 1.76 0.00 3.37 0.00 0.00 3.17 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 151 Q 7.70 3.69 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 152 Q 8.28 4.09 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 153 Q 8.66 3.92 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.65 0.00 154 I 7.75 3.68 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.60 0.88 0.00 0.00 155 I 7.25 3.99 2.00 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 1.37 1.71 0.82 0.00 0.00 156 K 7.47 2.72 0.00 0.79 1.33 0.00 1.50 0.00 0.00 1.36 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.07 0.32 7.81 157 S 7.95 4.09 0.00 3.85 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 0.00 158 G 7.70 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 0.00 159 L 7.39 4.04 0.00 1.67 1.80 1.07 1.03 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 0.00 160 S 8.08 4.14 0.00 4.10 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.26 3.95 0.00 1.84 1.75 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.87 4.03 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 0.00 163 I 8.19 3.93 1.93 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.02 0.53 0.00 0.00 164 V 8.37 3.64 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 0.94 0.00 0.00 0.99 0.00 0.00 165 E 8.25 3.99 0.00 2.37 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 2.36 2.54 0.00 166 I 7.69 3.82 2.26 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.89 0.00 0.00 167 C 7.94 4.22 0.00 3.10 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 0.00 168 N 8.06 4.34 0.00 2.83 2.92 0.00 0.00 7.13 7.19 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 0.00 169 E 8.18 4.06 0.00 2.22 1.96 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 2.35 2.51 0.00 170 L 8.07 4.07 0.00 1.95 1.83 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 171 G 7.80 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 0.00 0.00 0.00 172 K 7.80 4.18 0.00 1.72 1.64 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.