NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4716 8.3231 116.8050 58.1008 64.3926 173.8967 0 G 3.6151 8.1806 109.4648 43.9579 0.0000 173.2033 1 M 3.9994 8.6071 120.8506 58.1126 32.6367 176.9393 2 S 3.9622 7.9488 113.1346 61.1766 62.5671 175.8329 3 L 3.5511 7.5819 122.3366 58.1018 41.9832 178.7764 4 L 3.0859 7.2688 118.8117 57.6437 41.2236 179.6777 5 T 3.8152 7.8178 115.9340 66.5686 68.2537 176.5749 6 E 3.9329 7.7193 120.4362 59.2438 29.3747 179.5605 7 V 3.6156 7.4462 118.3127 65.8558 31.5164 177.3817 8 E 4.1955 8.1430 119.3805 59.8591 29.5298 179.0948 9 T 3.8826 7.7321 109.6450 65.0820 68.6041 176.1885 10 Y 4.0389 7.7130 118.4277 60.6850 37.9314 178.3444 11 V 3.8595 8.2633 119.3507 66.0912 31.7427 178.1764 12 L 4.2048 8.1664 118.9520 57.5049 41.1885 179.5101 13 S 4.2230 7.9091 113.5061 60.7135 62.9185 175.6472 14 I 4.3616 7.2769 113.0896 60.2905 38.1088 175.3921 15 I 4.2832 6.9885 122.9786 59.0338 38.0584 173.9489 16 P 4.3629 0.0000 0.0000 62.4883 31.7774 176.2673 17 S 4.1921 8.4702 115.5465 57.8797 63.0694 174.1097 18 G 4.1740 8.4495 112.0025 43.5142 0.0000 171.4791 19 P 4.2532 0.0000 0.0000 65.4995 31.0044 178.5640 20 L 3.9813 7.9194 118.6525 58.0234 42.0582 178.7646 21 K 3.9338 8.0955 118.7964 59.5374 32.2313 178.3322 22 A 4.0770 7.8335 121.0817 55.1366 18.2743 179.2558 23 E 3.9829 8.2267 117.4483 59.6131 29.7185 179.1685 24 I 4.1622 8.3074 119.8924 64.2700 37.1793 178.1139 25 A 4.0368 8.6022 122.0431 55.5154 18.3688 179.6741 26 Q 3.9286 8.1284 116.3475 58.9577 28.8326 179.1048 27 K 3.5869 8.0119 120.5433 59.3148 32.0524 178.8055 28 L 3.6854 8.0935 119.4383 57.6328 41.4327 179.1333 29 E 4.0069 8.0663 118.4390 59.6741 29.4251 179.1606 30 D 4.2667 7.7588 118.1845 57.3715 40.7772 179.0600 31 V 3.6033 7.3198 118.2805 66.2604 31.2910 178.1830 32 F 4.6893 8.0688 116.0375 60.2561 38.8248 176.9599 33 A 4.3484 8.3019 118.9999 52.5684 18.5139 178.2626 34 G 3.8064 7.8057 107.5813 46.3905 0.0000 175.1636 35 K 4.1722 8.1957 119.5567 54.7021 31.9485 180.4395 36 N 4.6746 7.7020 117.0259 54.0669 39.8961 173.2122 37 T 4.4664 8.3760 115.4962 61.4239 69.3082 175.3315 38 D 4.6172 7.9238 124.2339 53.1194 39.6899 175.8691 39 L 3.8850 8.0151 126.5719 57.4305 42.4341 177.4003 40 E 3.9419 8.2812 118.6049 59.5193 29.4966 178.5996 41 A 4.0461 8.2632 120.4781 55.0618 18.4163 179.5499 42 L 3.8485 8.1511 117.7085 58.4069 41.6439 179.8098 43 M 4.5004 8.6039 118.9259 58.3029 31.6377 178.5474 44 E 3.9468 8.1639 119.0111 58.8725 29.8581 178.2263 45 W 4.3021 8.5854 128.6982 60.4502 30.8037 177.7274 46 L 3.5848 8.5776 120.3003 57.9299 41.4081 178.4931 47 K 3.0842 7.8260 118.8202 59.3783 32.0660 177.8453 48 T 4.1620 7.0404 106.2675 61.0323 69.4257 174.9042 49 R 3.8147 6.7524 122.6496 55.2420 30.9046 175.8366 50 P 4.5094 0.0000 0.0000 62.2992 30.6078 177.1748 51 I 3.8499 7.2361 118.8142 61.9131 38.0966 176.7862 52 L 4.0235 8.7305 126.0268 57.4738 41.8057 177.8785 53 S 4.5990 7.7970 113.1697 56.2500 63.9325 172.3925 54 P 4.2478 0.0000 0.0000 65.9110 31.0995 178.3553 55 L 3.9488 7.8401 118.4010 58.3171 42.0749 178.8412 56 T 3.8659 7.8914 115.3037 66.6428 68.4148 176.2822 57 K 4.0935 7.9863 121.6747 59.2544 32.1086 179.1114 58 G 3.4999 8.1436 106.1469 47.7584 0.0000 175.7216 59 I 3.7168 8.0840 122.8113 64.0388 37.0681 178.4638 60 L 3.8240 8.0374 119.8851 57.6865 41.4339 179.8118 61 G 3.6038 8.0969 105.5695 47.7447 0.0000 175.4315 62 F 4.0876 8.3853 123.4468 60.9740 39.4569 177.3644 63 V 3.8597 8.3750 118.2851 66.0830 31.2828 177.8980 64 F 4.6209 8.4013 117.8233 61.2911 38.6074 177.8812 65 T 3.9435 7.8614 113.8507 66.4359 68.2673 176.2472 66 L 3.8793 7.7541 121.8614 58.1218 42.1524 178.6547 67 T 4.5809 7.9526 108.3941 62.3812 69.7429 174.5511 68 V 4.1963 7.9903 122.2945 60.4837 31.1173 173.7590 69 P 4.7242 0.0000 0.0000 62.5283 30.8369 177.1918 70 S 4.2397 7.9882 113.2290 58.9757 63.3739 175.5385 71 E 3.4742 8.3066 122.5702 56.5398 27.4395 173.6629 *75 Q 4.0976 8.4877 121.8734 57.7993 29.4431 174.1172 76 R 4.2757 7.5612 112.9562 52.6450 32.5887 174.8713 77 R 3.8753 8.4504 125.3393 57.1890 27.6677 177.8623 78 R 4.0531 8.3265 124.4804 61.0738 29.6661 177.1191 79 F 4.4694 8.3571 114.5434 59.7135 37.7891 177.8447 80 V 3.0506 6.5308 118.2901 65.6317 31.1346 177.5371 81 Q 3.9691 7.2833 116.5247 59.4318 29.0577 178.8430 82 N 4.4671 8.4960 117.1984 56.2210 38.3380 177.4221 83 A 4.0509 7.8414 121.2524 54.3303 18.5281 178.6303 84 L 4.4358 7.4440 114.6862 54.7274 42.3512 176.7950 85 N 4.9604 7.4986 115.9792 52.9186 39.0065 175.8285 86 G 3.6549 8.0261 106.5138 47.5232 0.0000 174.9220 *92 N 4.7808 8.0003 116.9981 53.4435 40.8755 176.6164 93 M 4.1355 8.0222 117.7100 58.2540 32.1296 177.9419 94 D 4.3981 8.1460 118.8283 57.6604 41.1091 179.2029 95 R 4.1323 8.0336 115.4763 59.1094 29.6323 178.4395 96 A 3.9312 8.1711 121.8116 54.7327 18.3175 179.8539 97 V 3.5996 8.3897 119.9242 66.6622 31.6624 179.0107 98 K 4.0385 7.9819 123.2145 59.6834 31.4385 180.5450 99 L 3.8556 7.9584 121.7065 58.0348 42.0053 178.1203 100 Y 4.0951 7.8857 119.4837 60.9853 38.3752 178.5494 101 K 3.8987 8.0061 117.7135 59.4067 32.5577 179.1840 102 K 4.1040 7.9919 118.7074 59.5156 31.7728 179.4940 103 L 3.9929 8.1534 119.4227 57.4782 41.2350 179.6432 104 K 3.8141 7.5634 117.6752 58.9597 31.9388 178.8210 105 R 4.2104 7.4365 116.5509 56.8489 30.5545 176.9332 106 E 4.2920 6.9862 117.5126 56.2535 30.2477 176.3437 107 I 4.3499 8.2995 119.9314 61.9861 39.9103 176.8011 108 T 4.8361 7.4527 109.2895 59.4686 72.2663 174.6976 109 F 4.2355 9.5438 124.5340 62.4659 39.2632 177.5865 110 H 4.1545 8.3982 115.0061 58.4397 28.4590 177.8614 111 G 3.6206 8.3543 107.6077 47.7575 0.0000 175.6388 112 A 3.9072 8.1228 123.6049 54.6244 18.4352 179.5455 113 K 3.7007 7.8461 118.3801 59.4451 31.9270 178.3661 114 E 3.8671 8.0770 118.6885 59.3700 30.0068 178.6774 115 V 3.7603 7.5118 117.7877 66.1588 31.6567 177.9258 116 A 4.1017 8.1707 120.4208 54.9372 17.9568 179.4066 117 L 4.1649 7.8906 116.7575 56.9047 41.6826 178.0022 118 S 4.5723 7.4921 111.1162 58.2059 63.3358 173.3624 119 Y 4.6156 7.6553 118.6765 56.1600 40.2052 176.3563 120 S 4.4380 8.3313 117.2301 58.4158 65.3446 175.5724 121 T 3.9526 8.4620 119.4721 66.7394 68.2603 176.9653 122 G 3.7766 8.4280 108.2609 47.2007 0.0000 175.3205 123 A 4.0493 7.5593 123.4637 54.8082 18.3703 179.7794 124 L 3.8116 7.9055 117.2992 57.7489 41.6925 179.4617 125 A 3.8772 8.4585 121.0052 55.4871 18.3312 179.9849 126 S 4.0708 8.1351 113.4955 61.5761 62.7857 176.5560 127 C 4.0493 8.0653 121.6782 62.6984 31.2725 175.4200 128 M 3.7287 8.0908 120.5155 58.2004 31.4653 178.9573 129 G 3.6559 7.9011 105.8533 47.7275 0.0000 175.8044 130 L 3.8935 7.5468 120.3973 57.6674 41.8455 179.4034 131 I 4.1168 8.0347 119.8692 64.5003 36.8470 177.7294 132 Y 4.3318 8.5958 120.1071 60.9215 38.7491 177.5165 133 N 4.4927 8.0240 114.3251 56.2354 39.3181 175.3074 134 R 4.4723 8.0687 121.0971 55.3385 32.6152 174.8607 *137 T 4.3499 8.6343 108.6930 62.4642 70.5263 174.6348 138 V 4.2310 7.3320 114.4234 58.9558 33.6485 176.5635 139 T 4.1130 8.0249 112.6921 61.6581 70.8256 175.4609 140 T 3.6435 8.5183 120.0172 67.1841 68.4929 176.2030 141 E 4.2171 8.1911 120.2801 59.3536 29.7458 178.8505 142 V 3.5758 7.6021 118.2467 65.8603 31.5725 177.8329 143 A 4.0830 8.2164 120.6899 55.3677 18.1669 179.6638 144 F 4.7552 8.4504 116.4669 60.6247 38.9530 178.1112 145 G 3.0688 8.3837 105.6109 47.5219 0.0000 175.5051 146 L 3.8488 7.8988 122.9999 57.6529 42.0484 178.9987 147 V 3.5777 7.9648 118.2354 66.5506 31.4612 177.9081 148 C 3.9372 8.3803 116.1734 62.3441 27.8079 175.9492 149 A 3.8813 7.8796 122.5711 55.3302 17.9090 179.8088 150 T 3.7702 7.9456 114.1851 67.0860 68.5872 176.6278 151 C 4.1669 8.2866 118.7234 62.8508 28.1287 175.9207 152 E 4.1139 8.5023 120.9243 59.5435 29.0690 178.9774 153 Q 4.0642 7.9355 117.0069 58.7528 28.8884 178.4293 154 I 3.8587 8.0576 120.8715 64.3968 37.1645 178.3296 155 A 4.3578 8.0445 122.8953 54.8356 17.9746 179.4286 156 D 4.4009 8.2127 116.7914 56.9390 40.9648 178.2386 157 S 4.5073 7.5335 112.3940 59.0042 63.6658 174.2332 158 Q 4.1558 7.8003 127.1782 56.3585 28.5545 175.6405 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 S 8.32 4.47 0.00 3.96 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 0 G 8.18 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.61 4.00 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 2 S 7.95 3.96 0.00 3.87 3.76 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 3 L 7.58 3.55 0.00 1.60 1.62 0.48 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.27 3.09 0.00 1.41 0.63 0.93 0.46 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 5 T 7.82 3.82 4.28 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 1.17 0.00 0.00 6 E 7.72 3.93 0.00 1.74 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 2.22 2.30 0.00 7 V 7.45 3.62 1.57 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 1.09 0.00 0.00 0.15 0.00 0.00 8 E 8.14 4.20 0.00 2.43 2.16 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 2.46 2.66 0.00 9 T 7.73 3.88 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 Y 7.71 4.04 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.26 3.86 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 1.10 0.00 0.00 1.18 0.00 0.00 12 L 8.17 4.20 0.00 1.86 1.74 0.97 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.91 4.22 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.28 4.36 1.90 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 1.79 0.67 0.98 0.00 0.00 15 I 6.99 4.28 2.02 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 1.38 0.74 0.94 0.00 0.00 16 P 0.00 4.36 0.00 2.18 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 17 S 8.47 4.19 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.45 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 0.00 0.00 0.00 0.00 19 P 0.00 4.25 0.00 2.18 2.14 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 20 L 7.92 3.98 0.00 1.71 1.68 0.88 0.67 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 21 K 8.10 3.93 0.00 2.06 1.97 0.00 2.09 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.55 7.81 22 A 7.83 4.08 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 23 E 8.23 3.98 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 24 I 8.31 4.16 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.85 1.11 0.00 0.00 25 A 8.60 4.04 1.41 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 26 Q 8.13 3.93 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 27 K 8.01 3.59 0.00 1.41 1.65 0.00 0.67 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.82 7.81 28 L 8.09 3.69 0.00 1.87 1.50 1.01 1.06 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 29 E 8.07 4.01 0.00 2.17 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 2.38 2.56 0.00 30 D 7.76 4.27 0.00 2.68 2.57 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 0.00 31 V 7.32 3.60 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 1.00 0.00 0.00 0.47 0.00 0.00 32 F 8.07 4.69 0.00 3.09 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 33 A 8.30 4.35 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 34 G 7.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.20 4.17 0.00 1.76 1.71 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.24 7.81 36 N 7.70 4.67 0.00 2.45 2.50 0.00 0.00 6.89 7.70 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 37 T 8.38 4.47 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 1.20 0.00 0.00 38 D 7.92 4.62 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.88 0.00 1.80 1.67 1.02 0.92 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 40 E 8.28 3.94 0.00 2.09 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 2.42 2.43 0.00 41 A 8.26 4.05 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 42 L 8.15 3.85 0.00 1.71 1.28 0.49 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.60 4.50 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 3.04 0.00 44 E 8.16 3.95 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 45 W 8.59 4.30 0.00 3.47 3.48 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 46 L 8.58 3.58 0.00 2.50 2.06 1.26 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.83 3.08 0.00 1.60 1.73 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.11 0.53 7.81 48 T 7.04 4.16 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 49 R 6.75 3.81 0.00 1.46 1.55 0.00 2.24 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 50 P 0.00 4.51 0.00 2.12 2.04 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 51 I 7.24 3.85 1.81 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 1.37 0.42 0.95 0.00 0.00 52 L 8.73 4.02 0.00 1.62 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.80 4.60 0.00 3.88 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 54 P 0.00 4.25 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 55 L 7.84 3.95 0.00 1.69 1.65 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.89 3.87 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 1.23 0.00 0.00 57 K 7.99 4.09 0.00 1.78 2.02 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.71 1.57 7.81 58 G 8.14 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.08 3.72 2.02 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 0.65 0.97 0.00 0.00 60 L 8.04 3.82 0.00 1.75 1.32 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.10 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.09 0.00 3.02 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 63 V 8.37 3.86 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.27 0.00 0.00 64 F 8.40 4.62 0.00 3.28 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 65 T 7.86 3.94 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 66 L 7.75 3.88 0.00 1.73 1.52 0.50 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.95 4.58 4.54 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 1.89 0.00 0.00 68 V 7.99 4.20 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 1.07 0.00 0.00 0.96 0.00 0.00 69 P 0.00 4.72 0.00 2.07 2.03 0.00 3.74 0.00 0.00 3.75 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 70 S 7.99 4.24 0.00 3.81 3.77 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 0.00 0.00 0.00 0.00 71 E 8.31 3.47 0.00 2.16 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 0.00 2.22 2.29 0.00 *75 Q 8.49 4.10 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.89 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 76 R 7.56 4.28 0.00 1.80 1.61 0.00 3.42 0.00 0.00 3.22 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 77 R 8.45 3.88 0.00 2.01 1.88 0.00 3.48 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 78 R 8.33 4.05 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 79 F 8.36 4.47 0.00 3.22 3.32 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 80 V 6.53 3.05 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 0.15 0.00 0.00 0.02 0.00 0.00 81 Q 7.28 3.97 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.68 2.84 0.00 82 N 8.50 4.47 0.00 2.82 2.88 0.00 0.00 6.99 8.30 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 83 A 7.84 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.44 4.44 0.00 1.49 1.78 0.67 1.25 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 85 N 7.50 4.96 0.00 2.83 2.77 0.00 0.00 6.91 7.27 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 86 G 8.03 3.65 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 0.00 0.00 0.00 *92 N 8.00 4.78 0.00 2.79 2.92 0.00 0.00 7.12 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 93 M 8.02 4.14 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 94 D 8.15 4.40 0.00 2.78 2.75 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 95 R 8.03 4.13 0.00 2.33 2.30 0.00 3.08 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 96 A 8.17 3.93 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 97 V 8.39 3.60 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 1.01 0.00 0.00 0.93 0.00 0.00 98 K 7.98 4.04 0.00 1.84 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.32 7.81 99 L 7.96 3.86 0.00 0.74 1.48 0.46 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.89 4.10 0.00 3.16 3.17 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 0.00 101 K 8.01 3.90 0.00 2.07 1.87 0.00 1.86 0.00 0.00 2.03 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.56 7.81 102 K 7.99 4.10 0.00 1.97 1.85 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.68 7.81 103 L 8.15 3.99 0.00 1.67 1.60 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.56 3.81 0.00 1.78 1.73 0.00 1.23 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.10 1.00 7.81 105 R 7.44 4.21 0.00 1.89 1.96 0.00 3.14 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 106 E 6.99 4.29 0.00 2.03 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 2.52 2.38 0.00 107 I 8.30 4.35 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 1.47 0.60 0.92 0.00 0.00 108 T 7.45 4.84 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 109 F 9.54 4.24 0.00 3.16 3.09 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 0.00 110 H 8.40 4.15 0.00 3.36 3.35 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.35 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.12 3.91 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 0.00 113 K 7.85 3.70 0.00 1.19 1.59 0.00 1.03 0.00 0.00 1.20 0.00 0.00 2.79 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.28 1.21 7.81 114 E 8.08 3.87 0.00 2.02 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 2.33 2.38 0.00 115 V 7.51 3.76 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 0.99 0.00 0.00 1.04 0.00 0.00 116 A 8.17 4.10 1.29 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 0.00 117 L 7.89 4.16 0.00 1.84 1.76 0.99 1.00 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 0.00 118 S 7.49 4.57 0.00 3.97 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 0.00 119 Y 7.66 4.62 0.00 3.10 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 0.00 120 S 8.33 4.44 0.00 4.07 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 0.00 121 T 8.46 3.95 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 0.00 122 G 8.43 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 0.00 123 A 7.56 4.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.91 3.81 0.00 1.85 1.66 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.46 3.88 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 0.00 126 S 8.14 4.07 0.00 3.98 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 0.00 127 C 8.07 4.05 0.00 3.00 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 0.00 128 M 8.09 3.73 0.00 1.33 1.93 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.99 0.00 129 G 7.90 3.66 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 0.00 0.00 0.00 130 L 7.55 3.89 0.00 1.68 1.20 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.03 4.12 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.07 1.24 0.00 0.00 132 Y 8.60 4.33 0.00 3.38 3.31 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 0.00 133 N 8.02 4.49 0.00 2.85 2.81 0.00 0.00 6.82 7.69 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 0.00 134 R 8.07 4.47 0.00 1.95 1.86 0.00 3.11 0.00 0.00 3.23 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 *137 T 8.63 4.35 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 138 V 7.33 4.23 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 0.55 0.00 0.00 0.95 0.00 0.00 139 T 8.02 4.11 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 1.20 0.00 0.00 140 T 8.52 3.64 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 1.00 0.00 0.00 141 E 8.19 4.22 0.00 2.13 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 2.70 2.55 0.00 142 V 7.60 3.58 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 0.95 0.00 0.00 1.00 0.00 0.00 143 A 8.22 4.08 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 0.00 144 F 8.45 4.76 0.00 3.47 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.38 3.07 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 0.00 0.00 0.00 146 L 7.90 3.85 0.00 1.71 1.83 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.96 3.58 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 1.23 0.00 0.00 1.27 0.00 0.00 148 C 8.38 3.94 0.00 2.65 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.88 3.88 1.26 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 0.00 0.00 0.00 150 T 7.95 3.77 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 151 C 8.29 4.17 0.00 3.29 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.50 4.11 0.00 2.38 2.16 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 2.57 2.53 0.00 153 Q 7.94 4.06 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 154 I 8.06 3.86 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.93 0.00 0.00 155 A 8.04 4.36 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 0.00 156 D 8.21 4.40 0.00 2.85 2.77 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 0.00 0.00 0.00 0.00 157 S 7.53 4.51 0.00 3.97 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 0.00 158 Q 7.80 4.16 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.