NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 2.9895 8.1933 115.3895 57.5662 64.0404 172.2313 2 L 4.8332 7.8035 126.6597 53.4526 42.7157 174.5013 3 A 4.7725 9.6669 124.7863 50.7016 23.5633 175.0201 4 V 4.9218 8.2085 112.1570 59.4288 33.7989 176.3895 5 D 4.4382 8.4740 121.4950 55.5920 39.4276 176.0145 6 Q 4.5751 7.7007 116.9381 54.0660 32.0538 174.8682 7 T 4.3647 8.1397 107.7628 62.5920 70.0371 174.7630 8 R 5.0019 7.3517 115.8016 54.6612 33.0915 174.1109 9 Y 4.8497 9.0686 116.7125 56.2920 42.2104 174.7429 10 I 5.0574 8.5042 122.7749 59.6095 39.7986 174.9083 11 F 4.3848 9.7142 131.4891 57.4094 40.4728 174.5698 12 R 4.4580 8.3366 126.0647 54.9886 30.9352 177.8224 13 G 3.8100 9.0870 114.2324 48.7242 0.0000 173.8534 14 D 4.6696 7.9817 116.0493 53.5679 40.1501 176.1562 15 E 4.3958 8.1109 120.4059 55.7180 30.5026 176.5068 16 D 4.5465 8.7023 121.8385 57.4468 41.2113 176.1584 17 A 4.9833 7.3628 117.1140 50.9973 22.6233 175.4287 18 L 4.3852 8.9782 121.6802 53.5472 44.3990 175.4384 19 T 4.7077 8.4469 123.7025 62.9231 69.4395 174.4012 20 I 4.5639 9.2265 127.6845 59.5448 41.2409 174.3322 21 T 5.0464 8.5126 119.7663 60.2160 70.0013 172.8761 22 V 4.8719 8.9129 129.0428 60.0870 34.3553 174.6108 23 T 4.9246 8.8498 114.2023 59.9102 71.8013 172.7987 24 N 5.1722 8.7954 124.5852 52.6447 39.2717 174.7793 25 N 4.6901 9.2145 124.5064 53.8510 38.2993 175.1742 26 D 4.6493 8.5700 120.9566 54.4882 42.2362 176.8064 27 K 4.4385 8.9701 124.5665 57.2852 33.3939 177.4023 28 E 4.5586 8.5067 112.6493 57.1581 32.2247 182.1144 29 R 4.3660 9.2212 119.1351 55.6897 31.1148 176.1929 30 T 4.6259 8.4151 118.1200 61.2465 68.4930 173.5642 31 F 4.7573 8.9456 127.6237 55.7710 41.5159 176.1595 32 G 4.1132 8.9657 110.8684 46.4075 0.0000 172.3685 33 G 3.9805 8.1256 105.0454 44.8157 0.0000 172.3196 34 Q 5.2478 9.1659 124.0275 54.1151 32.8142 173.6242 35 A 5.4811 9.0890 126.9260 50.2751 22.4890 174.9942 36 W 5.2905 8.6467 117.9938 55.4874 32.5484 173.4103 37 V 4.8766 8.6264 119.1692 61.2801 33.4845 174.1522 38 D 5.3814 9.5614 126.7205 52.5444 44.5256 175.4005 39 N 5.0654 8.8075 117.2085 52.7073 39.7368 175.9465 40 I 3.7926 8.2405 122.2521 64.0623 37.4998 177.1388 41 V 4.0750 7.7558 123.4983 60.8578 32.0196 177.0381 42 E 4.0049 9.2161 124.3298 59.4695 29.6231 175.6047 43 K 4.1272 7.9946 118.6178 56.4372 31.9541 179.0181 44 D 4.6574 8.0425 117.3037 54.2970 39.6979 175.3620 45 T 4.4583 8.2436 116.5320 61.4894 69.3720 176.0765 46 R 4.0014 7.7356 121.6848 55.5318 29.8047 179.2182 47 P 4.4119 0.0000 0.0000 62.5824 31.3695 174.2874 48 T 4.1972 7.9126 108.8989 61.7914 70.8296 172.9095 49 F 5.0753 7.8841 121.7455 54.4683 43.5362 173.9436 50 V 4.5232 9.2596 121.1770 61.1690 34.5885 174.2358 51 V 5.0215 8.6031 127.3929 61.4923 33.0735 174.7603 52 T 5.0172 8.6587 117.8231 58.8958 72.0227 171.8297 53 P 4.6867 0.0000 0.0000 62.8636 32.3495 176.6614 54 S 4.6347 8.9678 118.4031 61.1951 64.3960 174.3265 *55 F 5.4025 8.0314 119.5352 55.5550 41.7625 178.4048 56 F 4.9807 8.3919 118.9075 56.2078 41.7158 173.3835 57 K 5.2319 8.8105 121.3106 53.3966 35.7988 174.0427 58 V 4.5246 9.0342 125.8556 60.8976 34.2953 176.0865 59 K 4.5993 8.8138 130.9257 54.3961 33.2877 170.7440 60 P 4.6119 0.0000 0.0000 64.7951 31.7111 176.0728 61 N 4.8361 8.2012 120.4696 52.9504 37.0995 174.5223 62 G 4.1629 8.0836 106.2179 45.3426 0.0000 173.1242 63 Q 5.2297 8.3928 116.9675 54.2828 33.2640 175.1641 64 Q 4.4993 8.9193 122.0729 54.9066 32.5103 173.7573 65 T 4.7871 8.4866 116.8567 60.8843 70.5061 173.9932 66 L 4.8535 9.2165 124.4072 53.0103 45.8171 175.4136 67 R 4.9095 8.7842 121.6459 54.6147 32.5847 175.3177 68 I 4.7794 9.0534 126.4213 60.4314 38.4383 174.8434 69 I 5.0584 8.9663 121.7084 58.7790 40.4222 174.7978 70 M 3.5142 8.8906 125.4562 55.1531 32.6271 175.5680 71 A 4.7158 7.8644 128.7184 51.1362 19.8734 175.4583 72 S 4.2949 7.6277 112.9012 60.2243 64.9730 174.9176 73 D 4.7518 8.4384 121.2748 53.1359 40.5101 177.5330 74 H 4.5787 8.4325 114.0100 57.1766 29.1691 176.0041 75 L 3.8649 7.1997 120.8047 53.9158 41.9258 175.0954 76 P 4.2552 0.0000 0.0000 63.7441 31.5705 177.1892 77 K 4.5007 8.6718 123.5428 54.7994 32.3812 173.5638 78 D 4.9280 7.9208 117.6974 54.1582 39.9922 176.3169 79 K 4.4970 7.3968 118.6928 53.4835 35.3307 179.5912 80 E 4.7757 8.1852 120.7521 56.9407 30.4314 176.2410 81 S 4.6681 9.0151 114.8762 57.3161 66.9425 172.8963 82 V 4.5559 7.5681 119.4322 61.6022 34.4884 173.7117 83 Y 4.5551 7.8961 120.0254 56.6920 43.2808 173.6880 84 W 5.3294 8.9875 121.7916 55.5353 31.0656 175.2451 85 L 4.6083 9.2911 128.2278 54.0126 43.2524 174.8341 86 N 5.0512 8.8483 123.7423 51.0510 41.6461 173.2346 87 L 5.0606 8.5714 124.6485 53.1887 45.5050 174.6452 88 Q 5.1178 9.5109 127.8260 54.3873 31.5922 174.2844 89 D 5.2587 8.8746 126.4091 52.5543 41.9401 176.6020 90 I 4.5464 8.5892 119.4985 58.7827 39.9853 173.4232 91 P 3.7372 0.0000 0.0000 61.1825 31.9687 175.0348 92 P 4.2045 0.0000 0.0000 62.0696 32.0087 176.2299 93 A 4.0693 8.2267 122.5131 52.5488 18.8931 177.2366 94 L 4.4899 8.1441 122.1909 54.0904 43.1852 178.0180 95 E 4.2490 8.8142 118.0601 58.1352 30.9230 177.6693 96 G 4.1544 7.4906 109.1510 45.4025 0.0000 173.2096 97 S 4.4853 9.5807 121.0855 56.7251 64.6994 173.6933 98 G 4.0140 7.7203 106.6244 43.9456 0.0000 172.1236 99 I 4.3700 7.8480 120.4934 59.3662 38.8521 175.1626 100 A 4.7383 8.4148 126.8642 50.1578 21.3064 175.5755 101 V 4.3223 8.4241 121.0057 60.8345 33.3725 174.6815 102 A 5.0526 8.6051 129.5550 50.2658 21.5340 174.7234 103 L 4.7528 9.5756 122.6147 52.8642 44.4638 175.5607 104 R 5.0532 8.6663 123.9848 54.9112 31.8664 174.5912 105 T 4.5488 8.8016 118.1359 59.8717 71.1408 173.4472 106 K 4.9298 8.5448 126.5406 54.4124 34.5672 174.6678 107 L 5.1839 9.0692 129.0786 54.4352 44.8876 176.0671 108 K 4.5887 8.6855 122.3869 54.5491 33.4867 175.1786 109 L 5.2085 8.7123 126.3160 52.7333 44.9322 175.0726 110 F 5.4089 9.5907 125.2706 56.0920 42.0149 174.0775 111 Y 5.2436 9.6653 123.9853 56.0720 41.3273 174.2896 112 R 4.3452 8.5058 128.4380 53.7586 31.7265 173.8764 113 P 4.4374 0.0000 0.0000 62.2327 31.8361 177.9882 114 K 4.0313 8.5860 118.9432 59.5533 32.7804 178.5394 115 A 4.2830 7.9671 120.5899 53.3720 18.5503 177.4010 116 L 4.8990 7.4723 113.3847 53.3127 43.0513 177.6726 117 L 4.0928 7.9048 121.1703 58.5435 40.7026 178.8352 118 E 4.0439 7.8987 114.6179 58.7190 30.1638 179.8879 119 G 4.2186 7.7345 108.9368 45.8227 0.0000 174.2788 120 R 3.0508 8.0467 122.7612 57.3560 30.5922 177.6336 121 K 3.6900 6.3370 113.8221 56.4382 33.0991 181.3670 122 G 3.2231 7.7677 104.2486 43.7761 0.0000 173.1521 123 A 3.9501 7.1173 123.6159 53.1112 20.0068 178.6544 124 E 4.0113 8.7707 121.5466 56.2231 28.1174 175.5697 125 E 4.1281 7.5095 116.4315 58.1681 30.3256 178.9947 126 G 4.1130 7.2882 106.2498 45.4933 0.0000 175.2198 127 I 3.7268 7.8229 123.1009 62.2335 37.7397 172.4475 128 S 4.1048 8.2758 126.1808 58.0931 62.5919 169.3913 129 L 5.0718 8.2234 127.3604 53.0313 41.8261 172.4514 130 Q 4.7628 9.0824 125.1571 53.9058 32.4011 177.2175 131 S 4.3714 8.2388 117.8042 57.0573 61.0786 174.0631 *138 M 4.3306 7.5321 123.9640 55.1637 34.4789 174.2542 139 L 5.1454 8.6521 128.9899 54.1969 44.8044 175.6747 140 V 5.1164 8.5158 125.5935 59.7318 35.3312 172.8156 141 N 4.7366 8.8717 126.5384 52.9750 37.8588 175.3221 142 T 4.4021 8.3340 114.6190 60.4644 68.7614 174.3537 143 T 4.7470 7.5360 111.5002 60.2001 71.3199 172.7411 144 P 4.1978 0.0000 0.0000 64.0262 31.5345 175.6510 145 Y 4.8283 7.2265 116.3828 56.2951 40.2812 174.8415 146 I 4.2203 8.7768 123.6715 60.7515 38.3613 175.4744 147 F 5.2640 8.8654 124.2497 55.5713 42.6996 174.4757 148 A 4.9494 8.7454 125.2034 50.3503 19.0028 179.2650 *169 K 4.1088 8.0981 126.6051 54.7846 33.3088 172.4695 170 L 4.1823 7.8497 125.5854 57.7879 43.0272 176.4565 171 L 3.9337 7.8006 120.4048 56.1683 40.4538 174.7227 172 M 4.7732 7.5709 119.6297 54.2069 30.5118 174.5779 173 F 4.8280 9.0114 122.1809 57.9621 40.0812 174.3515 174 M 4.5905 9.0590 126.0726 53.6249 33.5727 173.8796 175 P 4.3928 0.0000 0.0000 65.8157 31.5053 175.8744 176 G 4.0077 8.1204 112.4016 45.2636 0.0000 172.5359 177 D 4.7957 7.7486 122.0656 53.4166 42.4708 176.0987 178 E 5.4252 8.6352 116.4413 53.9072 33.2957 176.4678 179 V 4.4435 7.7956 131.1440 62.4370 33.0384 171.2566 *190 S 4.3681 7.0692 113.5128 56.8250 63.2356 173.5594 191 L 4.4497 8.4692 127.6903 54.6203 42.2773 176.7000 192 N 4.8772 9.0010 119.6466 51.6418 39.2912 175.4892 193 D 4.2793 8.6778 116.9450 57.6126 40.7758 177.2562 194 Y 4.0245 8.0962 114.1852 57.8590 38.2494 176.1743 195 G 3.8802 8.4652 110.8785 46.2761 0.0000 173.8183 196 E 4.5385 7.7861 115.5513 54.0482 31.1784 179.1863 197 L 4.5671 8.2908 123.3238 54.1452 42.4128 176.5343 198 Q 4.3720 8.4284 122.0117 54.3777 32.3783 174.7264 199 T 4.4184 8.0833 119.3556 61.2164 70.8383 173.6427 200 W 4.4438 8.5834 122.0602 56.8181 29.0662 179.2828 *202 I 3.8763 8.4423 118.5111 62.4941 37.9739 174.8500 203 N 4.6198 9.2770 119.1659 54.0919 40.2760 173.8128 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 8.19 2.99 0.00 3.58 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 2 L 7.80 4.83 0.00 1.54 1.62 1.06 0.50 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 3 A 9.67 4.77 1.18 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 0.00 0.00 4 V 8.21 4.92 2.33 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 0.80 0.00 0.00 1.14 0.00 0.00 5 D 8.47 4.44 0.00 2.92 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 6 Q 7.70 4.58 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 7 T 8.14 4.36 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 1.19 0.00 0.00 8 R 7.35 5.00 0.00 2.37 2.00 0.00 3.09 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.21 0.00 9 Y 9.07 4.85 0.00 2.97 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 10 I 8.50 5.06 1.90 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 1.34 0.66 0.96 0.00 0.00 11 F 9.71 4.38 0.00 3.01 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 12 R 8.34 4.46 0.00 1.72 1.80 0.00 3.16 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 13 G 9.09 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 14 D 7.98 4.67 0.00 2.82 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 15 E 8.11 4.40 0.00 1.57 1.82 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 2.37 2.17 0.00 16 D 8.70 4.55 0.00 2.67 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 17 A 7.36 4.98 1.24 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 0.00 0.00 18 L 8.98 4.39 0.00 1.45 1.50 0.95 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 19 T 8.45 4.71 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 1.17 0.00 0.00 20 I 9.23 4.56 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.18 0.73 0.00 0.00 21 T 8.51 5.05 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 1.27 0.00 0.00 22 V 8.91 4.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1.09 0.00 0.00 23 T 8.85 4.92 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 1.24 0.00 0.00 24 N 8.80 5.17 0.00 2.97 2.95 0.00 0.00 6.76 6.80 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 25 N 9.21 4.69 0.00 2.67 2.88 0.00 0.00 6.96 8.02 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 26 D 8.57 4.65 0.00 3.06 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 27 K 8.97 4.44 0.00 1.80 1.85 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.43 7.81 28 E 8.51 4.56 0.00 1.94 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 2.11 1.85 0.00 29 R 9.22 4.37 0.00 1.85 1.70 0.00 3.21 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 30 T 8.42 4.63 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 1.20 0.00 0.00 31 F 8.95 4.76 0.00 3.09 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 32 G 8.97 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.13 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 0.00 0.00 0.00 34 Q 9.17 5.25 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 35 A 9.09 5.48 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 36 W 8.65 5.29 0.00 3.45 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 37 V 8.63 4.88 2.37 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 0.98 0.00 0.00 0.90 0.00 0.00 38 D 9.56 5.38 0.00 2.85 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 39 N 8.81 5.07 0.00 2.99 2.82 0.00 0.00 6.96 7.45 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 40 I 8.24 3.79 1.68 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.11 0.86 0.00 0.00 41 V 7.76 4.07 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 0.75 0.00 0.00 1.00 0.00 0.00 42 E 9.22 4.00 0.00 2.01 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 2.23 1.89 0.00 43 K 7.99 4.13 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 0.99 7.81 44 D 8.04 4.66 0.00 2.64 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 45 T 8.24 4.46 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 46 R 7.74 4.00 0.00 1.80 1.77 0.00 3.28 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 47 P 0.00 4.41 0.00 2.11 2.07 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 48 T 7.91 4.20 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 1.44 0.00 0.00 49 F 7.88 5.08 0.00 2.69 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 50 V 9.26 4.52 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 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0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.26 0.00 2.27 2.01 0.00 3.75 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 2.06 2.10 0.00 77 K 8.67 4.50 0.00 1.77 1.70 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 0.98 7.81 78 D 7.92 4.93 0.00 2.68 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 79 K 7.40 4.50 0.00 1.75 1.56 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.02 7.81 80 E 8.19 4.78 0.00 1.84 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 2.38 2.20 0.00 81 S 9.02 4.67 0.00 3.65 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 82 V 7.57 4.56 1.47 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 -0.10 0.00 0.00 0.71 0.00 0.00 83 Y 7.90 4.56 0.00 2.90 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 84 W 8.99 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.70 0.00 126 G 7.29 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.82 3.73 1.86 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 1.05 0.94 1.10 0.00 0.00 128 S 8.28 4.10 0.00 4.06 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 0.00 129 L 8.22 5.07 0.00 1.73 1.44 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 9.08 4.76 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 7.43 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 131 S 8.24 4.37 0.00 3.63 3.69 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 *138 M 7.53 4.33 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 139 L 8.65 5.15 0.00 1.76 1.48 0.90 0.65 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 0.00 140 V 8.52 5.12 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 0.76 0.00 0.00 0.93 0.00 0.00 141 N 8.87 4.74 0.00 1.72 2.43 0.00 0.00 7.21 6.76 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 0.00 142 T 8.33 4.40 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 1.21 0.00 0.00 143 T 7.54 4.75 4.47 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 0.00 0.00 0.00 1.57 0.00 0.00 144 P 0.00 4.20 0.00 1.36 1.98 0.00 3.45 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 145 Y 7.23 4.83 0.00 2.50 2.46 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 0.00 146 I 8.78 4.22 1.87 0.00 0.00 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 1.18 0.43 0.97 0.00 0.00 147 F 8.87 5.26 0.00 3.26 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 0.00 148 A 8.75 4.95 1.32 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 *169 K 8.10 4.11 0.00 1.81 1.72 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 170 L 7.85 4.18 0.00 1.61 1.69 1.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 171 L 7.80 3.93 0.00 1.95 1.82 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 172 M 7.57 4.77 0.00 1.97 2.10 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 2.65 2.68 0.00 173 F 9.01 4.83 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 0.00 174 M 9.06 4.59 0.00 1.91 2.13 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 2.58 2.87 0.00 175 P 0.00 4.39 0.00 1.94 2.08 0.00 3.22 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 176 G 8.12 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 D 7.75 4.80 0.00 2.20 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 0.00 178 E 8.64 5.43 0.00 1.92 1.64 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 2.11 1.84 0.00 179 V 7.80 4.44 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 0.77 0.00 0.00 0.95 0.00 0.00 *190 S 7.07 4.37 0.00 3.96 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 0.00 191 L 8.47 4.45 0.00 1.69 1.61 0.95 1.11 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 0.00 192 N 9.00 4.88 0.00 2.94 3.21 0.00 0.00 7.15 8.68 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 0.00 193 D 8.68 4.28 0.00 2.73 2.72 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 0.00 194 Y 8.10 4.02 0.00 3.08 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 0.00 195 G 8.47 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 0.00 196 E 7.79 4.54 0.00 1.90 1.82 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 2.25 1.88 0.00 197 L 8.29 4.57 0.00 1.49 1.59 0.90 0.86 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 0.00 198 Q 8.43 4.37 0.00 1.63 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.66 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 199 T 8.08 4.42 4.06 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 1.13 0.00 0.00 200 W 8.58 4.44 0.00 3.20 2.27 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 *202 I 8.44 3.88 1.84 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 1.30 0.54 0.90 0.00 0.00 203 N 9.28 4.62 0.00 2.86 2.90 0.00 0.00 7.01 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.