NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4352 8.1985 121.0371 55.5599 30.4715 173.4013 3 A 4.7741 8.7016 127.0787 49.5101 20.0266 174.5714 4 I 4.6306 9.3123 124.3227 59.5027 41.0499 173.0132 5 K 4.9324 9.3986 128.5533 54.9344 34.1630 174.3092 6 C 5.6899 9.1723 127.8241 56.6871 34.4200 172.4716 7 V 4.6567 7.8129 125.8698 61.5055 33.3701 174.3745 8 V 4.7069 8.5617 127.9750 61.7616 32.4448 175.2208 9 V 4.4292 9.5296 121.3230 58.3899 35.2618 174.7655 10 G 3.6469 6.6825 106.7612 43.1205 0.0000 172.9774 11 D 4.8244 8.2934 120.0944 54.0696 41.3965 176.7993 12 V 3.6214 8.4237 121.1724 64.8934 31.8088 175.9274 13 A 3.8896 8.8979 127.5014 52.7869 15.7650 179.1830 14 V 3.8015 7.5564 111.0592 63.4154 31.9925 177.2733 15 G 4.2489 8.3252 109.2480 45.7078 0.0000 176.1943 16 K 3.9658 8.4916 120.3240 59.5125 32.1606 179.0290 17 T 4.1232 7.7491 116.6297 66.4436 68.4261 176.3031 18 C 3.9785 8.0784 118.1104 62.6642 28.0507 175.7480 19 L 4.1108 8.1134 121.7481 58.3424 41.6671 179.1264 20 L 3.9624 7.9716 118.7211 57.8828 41.5465 179.6463 21 I 3.4164 7.5776 119.6355 64.0099 37.1252 178.2582 22 S 4.7787 8.6992 116.1923 61.0319 61.9419 175.5477 23 Y 4.1252 8.0633 121.7101 61.0870 38.6987 177.9349 24 T 3.6484 7.8916 110.1110 63.6993 69.0213 175.3974 25 T 4.3376 7.2385 108.7395 60.2589 69.8135 174.2827 26 N 4.2955 7.9962 117.3521 53.7258 37.1681 173.5560 27 A 4.7445 7.5391 121.0216 50.1396 21.9069 175.4673 28 F 4.9081 8.6283 123.0215 56.0007 40.6336 174.0579 29 P 3.9172 0.0000 0.0000 66.5603 31.3292 181.7042 30 G 2.9818 5.8240 103.9292 48.2887 0.0000 176.1421 31 E 3.7458 7.8171 122.6317 58.5993 30.1144 180.6129 *32 Y 4.3850 7.2180 123.5175 55.1398 36.0789 175.4558 33 I 4.1556 7.5875 125.4173 58.5355 38.4262 174.4503 34 P 4.2749 0.0000 0.0000 63.2721 31.4879 176.2670 35 T 3.9775 8.1417 110.1865 61.4244 69.7309 174.5988 36 V 3.6205 7.3645 122.9442 61.7711 31.6066 175.4202 37 F 4.1614 8.3539 127.0014 57.9331 39.3339 173.8949 38 D 4.8281 8.5169 123.8741 52.5191 45.3575 172.9699 39 N 4.9933 7.8635 116.4861 51.1253 40.1751 172.9986 40 Y 4.8560 8.6398 117.0243 57.0276 43.0786 173.7009 41 S 5.2218 8.5749 112.5636 57.6722 65.7855 173.1755 42 A 4.5518 8.8989 125.6429 50.9194 23.0061 174.9661 43 N 5.2952 8.8926 122.4474 52.6566 39.7612 175.5826 44 V 4.5466 8.8928 123.6349 59.6163 35.9967 170.6630 45 M 4.8867 8.6444 123.9743 53.5428 33.6243 175.4448 46 V 4.2136 8.6897 127.8129 63.2861 34.9033 175.7131 47 D 4.2323 9.9417 129.4587 55.2448 36.6833 171.5502 48 S 3.8788 8.1154 115.5402 59.2090 60.8784 173.8130 49 K 4.6939 8.0797 123.1042 52.9278 33.5582 177.9975 50 P 4.9907 0.0000 0.0000 61.5745 32.4811 175.7582 51 V 4.5990 8.9199 123.5230 61.0485 35.3157 173.4105 52 N 5.1702 9.5412 127.2021 52.1767 40.6304 173.2646 53 L 4.9757 9.1396 130.6796 53.5174 43.8794 175.6653 54 G 4.3579 9.1101 115.8964 45.5702 0.0000 171.7985 55 L 5.3066 8.7745 127.7577 52.9737 43.8239 175.9069 56 W 4.9210 9.3159 125.0784 54.9140 30.7768 175.7404 57 D 5.2099 8.9004 125.6629 54.1979 42.3371 175.0340 58 T 4.4517 8.3246 109.7367 59.6787 71.8339 173.1698 59 A 4.0064 7.8782 126.3584 50.9798 17.9828 177.7970 60 G 4.0795 8.5912 110.8360 47.1693 0.0000 173.2124 61 Q 4.2508 8.2894 122.2451 56.7329 29.5246 178.1636 62 E 4.3923 8.9534 116.7799 58.5966 29.9409 178.2516 63 D 4.2842 8.2404 117.6283 56.9143 41.0521 176.8341 64 Y 4.4268 8.0310 115.6932 57.7541 37.9086 177.0705 65 D 4.4358 8.2746 123.8624 57.6839 40.5191 178.9780 66 R 4.0554 7.7956 116.9025 58.5412 30.7522 178.1427 67 L 4.2548 7.7692 117.8066 56.5216 41.9621 178.7538 68 R 3.8290 8.2826 119.5660 59.1143 30.0568 176.5313 69 P 2.9700 0.0000 0.0000 63.7196 30.9578 178.1465 70 L 4.0232 7.5616 118.0659 56.9274 41.4858 177.7127 71 S 4.5497 7.6172 111.9496 58.4405 63.6590 174.5293 72 Y 4.6281 7.9418 121.1383 60.0341 38.2113 174.3987 73 P 4.3056 0.0000 0.0000 65.0892 31.6875 176.4707 74 Q 3.6636 8.8030 118.8871 55.9471 25.5278 170.9405 75 T 4.0249 7.5098 114.8613 64.4763 68.9851 174.5803 76 D 4.7848 8.6370 125.6981 56.0073 42.2429 177.2575 77 V 4.5790 7.1909 115.2180 60.7071 34.4735 172.4777 78 F 5.1034 9.1159 121.8087 55.9331 41.8039 174.5819 79 L 4.9755 8.8166 122.9387 53.4100 43.5827 175.5811 80 I 4.6128 8.4881 125.8991 60.5453 38.5311 174.6834 81 C 5.3846 8.8527 125.6387 58.0091 30.9146 173.0978 82 F 5.1711 8.4359 116.3023 55.0269 41.7274 173.5426 83 S 4.7502 9.1783 115.9643 57.3193 62.9770 175.2307 84 L 4.3941 9.0703 127.2304 57.0825 41.5921 178.7569 85 V 4.5739 7.8092 111.3578 60.8933 32.0884 176.5338 86 S 4.5356 8.2990 115.4335 55.2658 63.8269 172.0811 87 P 4.2915 0.0000 0.0000 65.0265 31.1869 178.1403 88 A 4.0936 8.1312 119.7513 55.2584 18.1080 179.6223 89 S 4.7530 7.8861 112.5326 61.2956 63.4691 175.8808 90 Y 3.7780 8.1169 122.6723 60.2933 38.5447 177.1150 91 E 3.9671 8.7801 120.7620 59.8044 29.6064 178.4887 92 N 4.5485 8.2885 115.0541 55.0905 38.5362 177.4934 93 V 3.8994 7.8111 120.7070 65.8202 31.3962 177.7976 94 R 4.0596 7.7256 113.0865 58.1993 30.2529 177.4862 95 A 4.1048 7.9340 121.0489 54.0559 18.9649 177.5958 96 K 4.1054 7.6924 113.7890 57.3648 34.6646 178.2220 97 W 4.3516 8.2868 118.6987 59.6981 29.0974 178.2164 98 F 4.2471 8.5888 120.7834 61.1885 38.7523 175.1660 99 P 3.9158 0.0000 0.0000 65.6054 30.9294 178.2348 100 E 3.8959 8.1046 117.9246 59.1665 29.6244 178.8423 101 V 3.0897 8.0892 118.7425 66.0144 31.2052 178.2441 102 R 3.9949 7.5029 116.7225 59.0406 29.9281 177.8734 103 H 4.0456 8.1029 117.7685 59.4662 29.8473 176.3053 104 H 4.7436 7.8362 116.0488 56.5082 30.3696 175.3796 105 C 4.8250 8.3108 118.3967 56.7469 28.5870 172.5702 106 P 4.1960 0.0000 0.0000 64.3923 31.4105 177.4365 107 S 4.6888 7.7580 109.0786 57.8002 64.3363 174.1924 108 T 4.1124 7.3927 118.9244 63.0736 68.7543 172.7070 109 P 4.4898 0.0000 0.0000 62.9432 32.8663 175.0709 110 I 5.0060 8.4709 123.5415 59.7369 40.2198 174.3038 111 I 4.6172 8.6482 127.5682 59.5036 39.4935 174.4212 112 L 4.8181 8.7557 129.8673 54.3510 43.5642 175.3196 113 V 4.6417 9.0298 126.9397 60.9725 34.3579 174.3042 114 G 3.5830 8.6779 116.3983 45.2785 0.0000 172.7669 115 T 4.9253 8.0105 114.5105 59.2588 72.8397 173.8692 116 K 3.7967 8.3694 116.1788 56.0555 30.0889 177.7304 117 L 3.9193 8.1772 123.4051 58.3792 42.3504 178.8679 118 D 4.3940 8.1560 117.2795 56.0499 39.2799 177.6105 119 L 4.4077 8.2632 118.7270 55.2207 42.1158 178.5534 120 R 3.9340 7.7857 118.9559 58.7599 30.0469 176.7511 121 D 4.7088 7.8434 114.8561 54.2151 42.2092 176.6439 122 D 4.4537 7.7265 121.7226 55.4229 42.5902 177.5749 123 K 3.9688 8.5783 131.5060 60.1852 32.1205 177.4350 124 D 4.5797 8.1177 119.6785 57.2563 40.6021 179.3267 125 T 3.8969 7.8171 116.5189 66.7581 68.6512 176.7956 126 I 3.6753 7.6791 121.6684 64.3905 37.0940 178.0089 127 E 3.9014 8.4971 120.2339 59.3772 28.9401 178.9614 128 K 4.1062 8.0762 118.3405 59.6223 32.0505 179.2822 129 L 4.1569 8.3386 121.7572 58.3627 41.3668 180.4283 130 K 4.1306 8.0805 123.6326 59.7205 31.5163 180.7794 131 E 4.1793 7.9959 117.8064 57.7826 29.3975 177.7613 132 K 4.4918 6.8960 113.8695 55.3574 32.9068 175.9618 133 K 3.9052 8.9978 117.9174 57.7580 29.7643 175.0690 134 L 4.8411 8.0526 116.5764 53.1219 45.2568 175.5919 135 A 4.6609 7.9859 120.6768 50.0284 21.9657 174.2934 136 P 4.6005 0.0000 0.0000 63.0175 32.2521 176.3919 137 I 4.1566 8.4441 124.0802 61.5578 37.6650 176.2194 138 T 4.4112 9.0546 117.6595 60.9037 70.7006 175.1156 139 Y 4.4580 8.9588 124.6650 59.9682 38.5441 176.6710 140 P 4.2350 0.0000 0.0000 65.9216 31.4858 178.2610 141 Q 4.0343 7.9140 116.1284 59.1824 28.6531 179.6759 142 G 3.2064 8.0544 107.7965 46.8632 0.0000 175.4414 143 L 3.5191 7.3411 122.6827 57.5656 41.9718 179.0044 144 A 3.8533 7.9579 120.8393 54.9851 18.3341 179.2738 145 L 3.5769 7.6892 118.6048 58.0788 42.0319 178.7665 146 A 3.9105 8.1369 123.4923 55.8501 18.2726 180.4980 147 K 3.8371 8.0039 121.8231 59.9287 31.6027 180.6567 148 E 3.9862 8.1512 119.6570 59.1908 29.5718 179.3042 149 I 3.1776 7.2893 109.2126 59.7514 38.4502 174.5615 150 D 4.3073 7.5786 119.1713 55.3453 38.7504 173.7600 151 S 4.4727 7.7173 112.1782 57.4101 64.3032 175.1349 152 V 3.9077 8.5283 125.5585 66.6864 31.9245 176.8521 153 K 4.7735 7.8621 118.8213 53.9329 36.2867 177.2792 154 Y 5.3772 8.6550 122.6191 56.1591 41.1572 174.3873 155 L 4.6756 8.5484 126.0343 52.9735 45.7618 175.3138 156 E 4.9721 8.4028 122.4860 55.2195 32.1997 174.5719 157 C 5.3906 8.5813 116.2823 57.3332 34.2420 172.5153 158 S 4.7703 8.3612 112.7162 56.4493 64.3488 174.5327 159 A 4.1173 8.9472 130.5757 55.1555 18.7507 178.3353 160 L 2.5705 7.6612 116.9296 57.8666 42.0927 178.0797 161 T 4.0237 7.4368 106.0752 61.6251 69.4965 175.7795 162 Q 3.6160 8.3984 122.2971 56.4252 27.6675 173.7622 163 R 3.9334 7.4774 117.5507 58.0148 29.5772 182.9059 164 G 4.0568 8.9743 111.9678 44.8338 0.0000 174.7365 165 L 3.8985 7.9581 121.8239 58.0443 42.0192 178.6647 166 K 4.2399 8.1367 119.0565 59.9578 32.2651 178.4356 167 T 3.8330 8.0085 115.5082 66.6807 68.3169 175.9953 168 V 3.2930 7.5241 119.9909 66.4215 31.3622 178.2262 169 F 4.1074 7.5008 116.5882 60.2256 38.5661 177.5507 170 D 4.4335 8.4976 119.0377 57.6158 40.6525 178.7460 171 E 3.7480 8.7435 119.0482 59.0872 29.1602 178.9965 172 A 3.9592 7.8100 120.1548 55.4350 18.7216 179.5388 173 I 3.8116 7.8781 117.7848 64.6774 37.0477 178.4173 174 R 3.8890 8.5151 118.7325 59.8150 29.8368 178.0181 175 A 4.3453 8.4284 119.7773 52.9500 18.3949 177.4133 176 V 3.9377 7.5996 119.7387 61.9535 32.1289 176.5341 177 L 3.6894 9.8660 126.4098 54.0108 37.6002 169.4391 178 C 4.6007 7.5445 122.5953 58.6753 35.0795 171.4733 179 P 4.4343 0.0000 0.0000 63.1955 30.9005 175.7424 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 Q 8.20 4.44 0.00 1.76 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.26 1.95 0.00 3 A 8.70 4.77 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 4 I 9.31 4.63 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 0.93 0.00 0.00 5 K 9.40 4.93 0.00 1.75 1.55 0.00 0.96 0.00 0.00 1.39 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.94 7.81 6 C 9.17 5.69 0.00 3.03 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 7 V 7.81 4.66 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 1.29 0.00 0.00 0.73 0.00 0.00 8 V 8.56 4.71 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 0.85 0.00 0.00 1.07 0.00 0.00 9 V 9.53 4.43 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 0.99 0.00 0.00 0.97 0.00 0.00 10 G 6.68 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 11 D 8.29 4.82 0.00 2.99 2.81 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 12 V 8.42 3.62 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 0.88 0.00 0.00 1.10 0.00 0.00 13 A 8.90 3.89 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 14 V 7.56 3.80 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 0.86 0.00 0.00 1.00 0.00 0.00 15 G 8.33 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 0.00 0.00 0.00 0.00 16 K 8.49 3.97 0.00 1.86 1.92 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 T 7.75 4.12 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 18 C 8.08 3.98 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 19 L 8.11 4.11 0.00 1.85 1.98 0.92 0.63 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 20 L 7.97 3.96 0.00 1.66 1.39 1.17 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.58 3.42 1.69 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 0.89 0.75 0.83 0.00 0.00 22 S 8.70 4.78 0.00 4.08 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 23 Y 8.06 4.13 0.00 2.94 2.86 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 24 T 7.89 3.65 4.10 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 0.00 0.00 1.17 0.00 0.00 25 T 7.24 4.34 4.18 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 1.12 0.00 0.00 26 N 8.00 4.30 0.00 2.88 2.94 0.00 0.00 6.65 7.36 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 27 A 7.54 4.74 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.63 4.91 0.00 3.06 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 29 P 0.00 3.92 0.00 1.86 2.04 0.00 3.13 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 1.90 1.92 0.00 30 G 5.82 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 0.00 0.00 0.00 31 E 7.82 3.75 0.00 1.97 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 2.27 2.16 0.00 *32 Y 7.22 4.38 0.00 2.32 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 0.00 0.00 0.00 33 I 7.59 4.16 1.79 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 1.27 0.80 0.82 0.00 0.00 34 P 0.00 4.27 0.00 2.11 2.02 0.00 3.40 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 35 T 8.14 3.98 4.03 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 0.00 0.00 1.11 0.00 0.00 36 V 7.36 3.62 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 0.77 0.00 0.00 0.86 0.00 0.00 37 F 8.35 4.16 0.00 3.04 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 38 D 8.52 4.83 0.00 2.59 1.60 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 39 N 7.86 4.99 0.00 1.65 1.48 0.00 0.00 5.73 7.55 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 40 Y 8.64 4.86 0.00 2.83 2.80 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 41 S 8.57 5.22 0.00 3.82 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 42 A 8.90 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.89 5.30 0.00 2.59 2.78 0.00 0.00 6.67 7.68 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 44 V 8.89 4.55 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 0.73 0.00 0.00 0.93 0.00 0.00 45 M 8.64 4.89 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 46 V 8.69 4.21 2.12 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 1.00 0.00 0.00 1.03 0.00 0.00 47 D 9.94 4.23 0.00 2.81 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.12 3.88 0.00 3.79 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 49 K 8.08 4.69 0.00 1.62 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 1.21 7.81 50 P 0.00 4.99 0.00 2.06 2.09 0.00 3.42 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 1.98 2.08 0.00 51 V 8.92 4.60 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 1.11 0.00 0.00 0.96 0.00 0.00 52 N 9.54 5.17 0.00 2.95 2.71 0.00 0.00 6.43 7.31 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 53 L 9.14 4.98 0.00 1.84 1.75 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.11 4.36 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 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1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.89 4.75 0.00 4.29 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.12 3.78 0.00 2.78 2.99 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 91 E 8.78 3.97 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 92 N 8.29 4.55 0.00 3.24 3.03 0.00 0.00 6.68 7.84 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 93 V 7.81 3.90 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 1.12 0.00 0.00 1.04 0.00 0.00 94 R 7.73 4.06 0.00 1.91 1.89 0.00 3.15 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 95 A 7.93 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 96 K 7.69 4.11 0.00 1.35 1.17 0.00 1.24 0.00 0.00 0.74 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0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.31 4.83 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.20 0.00 2.01 2.06 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 107 S 7.76 4.69 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.39 4.11 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 1.44 0.00 0.00 109 P 0.00 4.49 0.00 2.11 2.01 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 110 I 8.47 5.01 1.97 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 1.45 0.91 1.00 0.00 0.00 111 I 8.65 4.62 1.82 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 0.94 0.82 0.00 0.00 112 L 8.76 4.82 0.00 1.86 1.75 1.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.73 4.45 0.00 2.73 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 0.00 123 K 8.58 3.97 0.00 1.80 1.79 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.10 7.81 124 D 8.12 4.58 0.00 2.69 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 0.00 125 T 7.82 3.90 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 0.00 126 I 7.68 3.68 1.88 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 1.42 1.19 0.92 0.00 0.00 127 E 8.50 3.90 0.00 2.02 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 0.00 2.34 2.46 0.00 128 K 8.08 4.11 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.81 1.65 7.81 129 L 8.34 4.16 0.00 1.85 1.79 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.08 4.13 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 131 E 8.00 4.18 0.00 2.12 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 2.36 2.37 0.00 132 K 6.90 4.49 0.00 1.89 1.78 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.37 7.81 133 K 9.00 3.91 0.00 1.78 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.54 7.81 134 L 8.05 4.84 0.00 1.76 1.54 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.99 4.66 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 0.00 136 P 0.00 4.60 0.00 1.97 2.05 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 137 I 8.44 4.16 2.13 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 0.88 0.00 0.00 138 T 9.05 4.41 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 139 Y 8.96 4.46 0.00 3.22 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 0.00 140 P 0.00 4.23 0.00 2.22 2.14 0.00 3.81 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 141 Q 7.91 4.03 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 142 G 8.05 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 0.00 0.00 0.00 143 L 7.34 3.52 0.00 1.40 1.61 0.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.96 3.85 1.33 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 0.00 0.00 145 L 7.69 3.58 0.00 1.28 1.40 0.46 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.14 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 0.00 147 K 8.00 3.84 0.00 1.78 1.83 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 148 E 8.15 3.99 0.00 1.86 1.87 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 2.26 2.24 0.00 149 I 7.29 3.18 0.56 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.19 0.36 0.00 0.00 150 D 7.58 4.31 0.00 2.79 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 0.00 151 S 7.72 4.47 0.00 4.23 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 0.00 152 V 8.53 3.91 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 0.72 0.00 0.00 0.96 0.00 0.00 153 K 7.86 4.77 0.00 1.42 1.58 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.27 1.26 7.81 154 Y 8.65 5.38 0.00 2.97 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 0.00 155 L 8.55 4.68 0.00 1.34 1.29 0.82 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.40 4.97 0.00 1.86 1.78 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 2.12 1.98 0.00 157 C 8.58 5.39 0.00 2.98 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 0.00 158 S 8.36 4.77 0.00 3.88 3.63 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 0.00 159 A 8.95 4.12 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.66 2.57 0.00 0.83 1.32 0.70 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.44 4.02 4.18 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 1.11 0.00 0.00 162 Q 8.40 3.62 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 163 R 7.48 3.93 0.00 1.74 1.86 0.00 3.30 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 164 G 8.97 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 0.00 0.00 0.00 0.00 165 L 7.96 3.90 0.00 1.90 1.89 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.14 4.24 0.00 2.03 1.88 0.00 1.89 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.78 7.81 167 T 8.01 3.83 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 168 V 7.52 3.29 1.76 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 0.12 0.00 0.00 0.73 0.00 0.00 169 F 7.50 4.11 0.00 2.55 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 0.00 170 D 8.50 4.43 0.00 2.81 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 0.00 171 E 8.74 3.75 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 172 A 7.81 3.96 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 0.00 173 I 7.88 3.81 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.11 0.96 0.00 0.00 174 R 8.52 3.89 0.00 1.92 2.11 0.00 3.32 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 175 A 8.43 4.35 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.60 3.94 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 0.80 0.00 0.00 0.94 0.00 0.00 177 L 9.87 3.69 0.00 1.88 1.73 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 178 C 7.54 4.60 0.00 2.88 2.70 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 0.00 179 P 0.00 4.43 0.00 2.08 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.