NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 4.0370 8.3549 108.0306 46.2304 0.0000 172.8801 6 V 4.6300 9.2201 117.5166 58.9660 35.9229 170.9577 7 E 5.2951 9.3050 121.0134 54.7508 33.1655 175.2985 8 V 4.9798 8.9858 124.2229 61.1670 34.7191 173.9939 9 I 4.8084 9.0554 129.1550 59.5717 39.4198 174.8059 10 I 4.5089 8.6143 128.9769 60.6430 38.2385 175.6386 11 A 4.8047 9.3244 129.1904 50.3453 21.0095 174.4078 12 L 4.8430 8.9281 124.7752 53.9325 44.1922 175.1237 13 D 3.3700 8.5285 127.6254 53.4504 41.5964 175.7117 14 I 4.5270 7.9886 120.3255 60.4646 38.4218 175.9856 15 S 4.4106 8.3833 117.8814 58.5848 63.4772 174.7439 16 N 4.5303 8.9420 119.1635 56.4576 38.9064 177.4129 17 S 4.3328 7.3537 115.8142 58.0143 61.4104 175.4418 *19 L 4.2117 7.6976 117.5924 54.6698 43.9610 177.8436 20 A 4.2214 7.8472 122.8098 52.7768 18.7672 177.8745 21 Q 4.8572 8.3918 118.7829 55.7223 29.5286 176.4874 22 D 4.6243 8.2041 116.4906 53.9996 40.2695 176.0077 23 V 4.4675 7.3669 119.5449 61.1871 34.6802 173.8896 24 Q 4.6089 8.8809 125.1833 54.0951 29.8690 174.6584 25 P 4.4276 0.0000 0.0000 65.0784 32.0747 176.4050 26 S 4.8595 7.4750 113.8313 55.8797 67.1305 174.9877 27 R 3.8817 8.5434 121.0518 59.4365 29.7876 179.1725 28 L 3.9108 7.8078 119.2689 58.3836 42.1994 178.7684 29 E 4.0035 8.1696 118.4652 58.9823 29.2764 179.2297 30 K 3.9069 8.4492 120.0982 59.4389 32.2981 178.7189 31 A 3.9689 8.0962 121.0380 55.1464 18.2923 179.8220 32 K 3.9549 8.2073 117.0612 59.2921 32.0844 179.5396 33 R 3.8533 8.0017 119.1076 59.4167 30.0154 178.3068 34 L 3.9346 8.0543 120.1189 58.1798 42.0761 178.9747 35 I 3.6573 7.8213 119.6977 64.3256 37.0537 178.1995 36 S 4.0418 8.0611 113.8691 61.6961 62.0039 176.5742 37 R 3.9223 7.8549 119.2022 58.8806 30.1470 178.4618 38 L 4.0291 8.2117 120.7057 58.2287 42.1611 179.1537 39 V 3.3307 8.1852 118.3837 66.1569 31.1616 177.6615 40 D 4.3500 7.8500 117.4390 57.0062 40.7061 177.8532 41 E 4.2324 7.7329 116.5136 56.1973 30.1925 176.9462 42 L 4.1449 6.8641 119.4546 54.5218 42.9337 174.5952 43 D 4.5155 9.2280 120.8365 54.0653 42.0253 176.5542 44 N 5.0472 8.7635 117.2621 53.6195 38.9103 173.0436 45 D 5.2332 8.4395 118.4016 52.6729 44.5019 176.9337 46 K 5.1540 8.9274 117.7107 54.9111 36.0919 176.3039 47 V 4.8833 9.2892 122.4574 60.2870 34.8599 174.7629 48 G 4.2956 8.6256 110.7077 46.0229 0.0000 170.9486 *50 I 4.3751 8.2547 120.0510 61.3556 39.0514 175.3258 51 V 4.9407 8.0721 118.7569 59.6892 34.7788 174.7530 52 F 5.2706 8.3692 117.0219 57.2257 41.7241 173.1628 53 A 4.7706 9.8583 120.5897 53.0000 20.2313 178.7082 54 G 3.7850 6.2226 111.5067 46.7688 0.0000 173.6262 55 D 5.0706 8.0676 117.8670 52.1851 44.4018 173.9413 56 A 5.5622 8.3905 121.1774 50.4567 21.8314 175.4922 57 F 5.0767 8.8379 114.6784 55.4369 42.1568 173.9250 58 T 4.2643 8.8332 117.2168 63.8882 68.0435 174.2966 59 Q 4.3654 8.8077 128.4561 57.5472 29.5494 175.3803 60 L 4.5762 7.5788 119.6735 52.2445 44.0988 173.4569 61 P 4.4523 0.0000 0.0000 62.0337 32.2815 176.3338 62 I 3.8690 8.1665 122.9183 62.1830 38.3502 174.8411 63 T 4.7711 8.9900 122.9926 61.0132 71.0297 174.0095 64 S 4.4768 8.5984 119.2802 58.4832 63.9266 174.9222 65 D 4.3977 7.8923 122.3065 53.8425 40.1157 175.6792 66 Y 4.4609 7.8311 124.6824 60.4063 37.9350 177.6491 67 I 3.7639 7.8051 119.9151 64.6220 37.4025 178.1272 68 S 4.3688 8.4174 114.4404 61.3793 62.9470 175.9781 69 A 4.1952 8.1303 123.5755 55.2185 18.0845 180.5367 70 K 4.2669 8.0491 115.5005 56.9949 32.3301 179.2983 *72 F 4.4520 8.0889 120.3240 57.5571 41.2908 177.3875 73 L 4.0645 8.3260 122.2166 58.2361 41.9329 178.9822 74 E 4.0744 8.1615 116.5452 58.8070 29.3987 177.9033 75 S 4.4850 7.4165 110.8566 58.1795 63.5008 174.2778 76 I 3.9768 7.5179 123.6643 61.3844 37.5374 175.3473 77 S 4.6616 8.1724 117.7612 56.1834 66.0489 173.1977 78 P 4.6051 0.0000 0.0000 64.8160 31.1291 178.9142 79 S 4.3259 7.5188 110.5288 60.2538 63.0078 175.5183 80 L 4.1990 7.8748 121.2044 56.9740 41.5389 177.3335 81 I 4.6835 7.7264 119.0533 59.4292 39.8773 175.4105 82 S 4.3179 8.8704 120.5713 60.4623 63.8076 175.0485 83 K 4.0488 7.9978 122.9443 56.1563 32.4209 175.8412 84 Q 4.7398 9.6943 124.9612 54.4317 30.8184 174.9151 85 G 4.0701 7.5552 105.0634 44.4890 0.0000 173.8747 86 T 4.7653 7.8798 112.6423 61.4635 69.5297 175.6294 87 A 4.4388 9.1647 131.4812 51.0174 15.7424 177.7595 88 I 2.7880 7.1495 127.2402 63.1270 37.7435 178.4047 89 G 3.6191 7.8330 106.0888 48.0193 0.0000 175.2821 90 E 3.9171 8.0866 120.6602 58.8613 29.4031 179.2538 91 A 3.8792 7.5981 120.5839 55.1030 18.4238 179.7267 92 I 3.5963 7.9230 118.6726 64.6607 37.0734 178.3012 93 N 4.3272 8.2877 117.4355 56.2968 38.1330 177.1943 94 L 3.9294 8.0208 120.6103 58.0897 42.4285 178.4315 95 A 3.9962 8.2543 121.2592 55.3971 18.0579 179.6825 96 T 4.2098 7.8835 107.1805 65.1783 68.9400 176.4884 97 R 4.1918 7.7657 118.6718 57.5035 30.2234 177.7929 98 S 4.5792 7.7964 114.2087 57.4458 63.5267 174.0732 99 F 4.4530 7.3935 120.9069 56.6275 39.7465 175.0756 100 T 4.3260 8.5627 113.1835 60.5860 69.2884 173.2756 101 P 4.4445 0.0000 0.0000 63.8624 31.7159 176.5561 102 Q 4.0409 7.6119 121.8482 56.3518 29.4346 175.3594 103 E 4.3852 8.6157 124.2632 56.2953 31.0597 176.6173 104 G 3.8999 8.8553 108.6726 45.3873 0.0000 173.3819 105 V 4.2593 7.2530 118.6777 60.6794 33.3222 175.4214 106 G 3.8436 8.3714 113.6337 46.3306 0.0000 172.5056 107 R 5.1512 8.4071 121.6837 54.1254 34.3412 173.8538 108 A 5.2170 9.1473 125.2176 50.1575 22.4406 174.5696 109 I 4.9658 8.7854 122.9079 59.6959 39.9524 174.8155 110 I 4.7537 8.7484 128.4363 59.5822 39.3782 174.7576 111 V 4.5682 8.8334 128.9364 62.0800 33.1106 174.8158 112 I 4.9837 8.7934 128.5111 60.2892 40.0017 174.3864 113 T 4.9040 8.6000 120.5162 61.2618 71.3311 173.3279 114 D 4.6513 8.3932 122.6756 51.7118 40.8061 177.5977 115 G 3.9751 8.2488 107.2555 46.4045 0.0000 172.9543 116 E 4.3730 8.3415 120.5818 55.8966 30.5464 175.9326 117 N 4.3571 8.7436 121.5144 54.3863 36.3469 173.7370 118 H 4.5308 7.6195 118.3127 55.6523 30.4355 174.6997 119 E 4.0360 9.0371 127.2289 57.6291 29.5952 177.3074 120 G 4.2927 7.8553 111.3163 45.6595 0.0000 171.1486 121 G 3.7517 8.6068 112.0091 45.9595 0.0000 176.2507 122 A 3.8839 8.6378 122.4393 55.0698 18.3579 179.5836 123 V 3.4990 7.7445 116.2316 66.1387 31.6156 177.7143 124 E 3.8899 8.1399 118.2326 59.1602 29.5916 178.1441 125 A 3.9645 8.2254 120.8406 55.3948 18.3667 179.5181 126 A 3.9487 8.4235 119.4905 54.9637 18.4790 179.7303 127 K 3.9598 8.2151 117.9562 59.7856 32.1116 178.9042 128 A 4.0149 8.1725 119.7398 54.9505 18.4270 179.2803 129 A 4.0513 8.0952 119.1325 55.3525 18.4143 179.4564 130 A 4.7139 8.0082 120.7486 54.7894 18.1687 178.8307 131 E 4.4349 7.8013 113.0072 56.7270 29.6127 177.2726 132 K 4.4083 7.8518 118.1841 55.8899 32.4442 176.3508 133 G 3.8272 7.8345 106.0636 46.6809 0.0000 173.8321 134 I 4.5249 7.5326 119.2226 59.0866 40.5141 174.5466 135 Q 4.8978 8.9248 125.7703 54.3753 30.8287 174.7228 136 V 4.6283 8.8385 125.5583 61.8021 32.9092 174.9751 137 S 5.1370 9.0330 124.6322 56.9843 66.2225 173.5088 138 V 4.9074 8.6729 120.8728 61.3281 35.0806 174.0610 139 L 4.6949 9.4741 128.5149 53.0365 43.6886 175.7277 140 G 4.3817 8.8236 113.2607 45.3430 0.0000 171.9771 141 V 4.6909 8.7874 126.6682 60.7490 33.7524 172.7817 142 G 4.1531 9.0294 112.2649 44.1585 0.0000 174.2641 *144 P 4.7029 0.0000 0.0000 62.3532 33.1536 178.3463 145 E 4.0859 8.1550 116.5986 57.5007 29.6684 178.0009 146 G 3.9982 8.6521 102.9738 45.7591 0.0000 172.4490 147 A 4.8341 8.5807 122.1741 49.4313 23.1086 174.2000 148 P 5.2220 0.0000 0.0000 61.8492 33.4735 175.4102 149 I 4.6360 8.2896 120.1955 58.7532 39.2224 173.8529 150 P 3.9927 0.0000 0.0000 62.4830 32.1480 175.7988 151 V 4.0973 7.7495 121.8610 61.4129 32.6938 175.8596 152 E 3.9332 9.2831 128.4166 59.7446 29.4563 179.0646 153 G 3.6419 8.0317 105.5708 47.4789 0.0000 172.8598 154 T 4.6440 7.1019 108.9680 60.2087 71.1231 174.1036 155 N 4.8000 8.5096 118.2502 53.4462 39.2553 173.5795 156 D 5.1046 7.5923 118.1156 52.7987 44.7177 173.7932 157 Y 5.0216 8.3049 116.4544 55.4896 41.6287 176.2653 158 R 4.1506 8.8918 120.5693 56.7492 31.2450 176.4205 159 R 5.0368 8.4044 121.2141 54.0801 33.5499 175.3845 160 D 4.6745 8.6343 121.3220 52.3989 40.7540 176.9845 161 R 3.8642 8.7290 118.7332 59.8543 29.6673 177.3088 162 E 4.0380 8.1264 114.1750 57.7021 29.6411 177.6192 163 G 4.0119 8.4540 107.4357 45.1396 0.0000 173.1180 164 N 4.7697 8.5280 117.4723 51.1963 39.9390 174.9529 165 V 3.9576 8.2686 121.1858 63.5613 32.0845 175.5437 166 I 4.0738 8.7611 128.6959 61.0674 38.3670 174.9096 167 V 4.5777 8.4028 126.7696 61.4880 33.1832 174.3103 168 T 4.8022 9.0379 123.7370 60.6169 69.2486 173.3383 169 R 4.9545 8.9371 127.4566 53.8229 32.9100 175.5047 170 L 4.1245 8.5463 125.0456 55.5132 43.3202 175.5591 171 N 4.7779 9.0306 126.4895 51.8293 38.2177 173.9117 172 E 3.9143 8.5096 124.8507 58.9133 30.1737 180.0504 173 G 3.6313 7.9895 103.8974 46.6733 0.0000 174.4328 *175 C 4.4558 8.1531 119.2034 59.6409 29.9535 176.3647 176 Q 3.8071 8.0820 118.8439 58.9075 28.2874 178.5823 177 E 4.0226 8.2343 119.6442 59.3122 29.3603 179.4265 178 I 3.6482 7.6982 119.0593 64.4559 37.3356 178.0952 179 A 4.2184 7.9667 121.4403 54.9936 18.3270 179.4740 180 K 3.8551 8.2016 118.0653 60.0542 32.1615 178.8858 181 D 4.5727 7.9136 117.1136 56.5612 41.0702 178.0628 182 G 3.8304 8.4641 105.1582 44.0606 0.0000 174.3104 183 K 4.0262 7.6475 118.3786 57.2504 30.5815 175.7151 184 G 4.7217 8.1257 108.1244 44.2156 0.0000 173.3839 185 I 4.7837 8.3754 113.4173 59.2847 40.9371 173.9673 186 Y 5.3927 8.5465 124.3998 55.9517 40.7677 175.1330 187 V 4.0146 7.5828 124.8232 59.6048 35.2861 174.2699 188 R 4.2950 8.0817 124.0603 56.0667 30.8484 175.5352 189 V 4.0672 9.0873 128.5583 62.3282 32.2937 174.7264 190 D 5.1539 8.2023 127.7464 51.7352 42.0898 174.7161 191 N 4.3807 8.7913 115.0808 56.5053 38.6260 175.4946 192 S 4.4271 8.0174 112.4442 57.9448 64.1859 174.0116 193 N 4.7561 8.5068 115.3270 53.4794 38.1872 177.2888 194 S 4.0919 7.8767 118.3984 61.4806 62.9862 176.4292 195 A 3.8778 7.8368 123.9921 54.7044 18.1590 179.1062 196 Q 3.8639 7.9787 117.5586 59.4183 29.2415 178.5343 197 K 3.9002 8.0911 119.1649 59.4168 31.9122 179.2651 198 A 3.9758 8.0392 121.0666 55.1069 18.2807 179.5860 199 I 3.6630 7.9183 117.2688 64.2413 38.1574 178.2247 200 S 4.1169 8.3543 116.6243 61.5935 62.7301 176.6534 201 Q 4.0618 8.0066 119.8200 58.8756 28.2572 178.0860 202 E 3.9268 7.7938 120.7680 59.0097 29.7379 178.4100 203 I 3.8630 7.6796 119.2410 64.5602 37.3802 178.3266 204 S 4.3775 7.7601 112.3918 60.1652 62.8576 175.5886 205 K 4.1409 7.8230 122.8347 57.0026 31.9621 178.0649 *207 A 4.3000 7.9858 122.2095 51.1827 20.3027 178.1650 208 K 4.5503 7.5617 113.5672 56.6828 32.7823 176.6316 209 S 4.3371 8.0486 118.8248 58.3944 62.4053 173.3025 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 5 G 8.35 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 0.00 0.00 0.00 6 V 9.22 4.63 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 0.74 0.00 0.00 0.98 0.00 0.00 7 E 9.30 5.30 0.00 2.13 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 0.00 2.31 2.30 0.00 8 V 8.99 4.98 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 1.09 0.00 0.00 0.97 0.00 0.00 9 I 9.06 4.81 1.60 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.09 0.76 0.00 0.00 10 I 8.61 4.51 1.86 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 1.29 0.75 0.96 0.00 0.00 11 A 9.32 4.80 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 12 L 8.93 4.84 0.00 1.69 1.45 0.86 0.97 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 13 D 8.53 3.37 0.00 2.34 2.39 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 14 I 7.99 4.53 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.97 0.75 0.00 0.00 15 S 8.38 4.41 0.00 4.11 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 16 N 8.94 4.53 0.00 2.74 2.94 0.00 0.00 6.99 7.11 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 17 S 7.35 4.33 0.00 4.23 4.08 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 7.70 4.21 0.00 1.79 1.79 0.90 0.85 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 20 A 7.85 4.22 1.42 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 0.00 0.00 21 Q 8.39 4.86 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 22 D 8.20 4.62 0.00 2.79 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 23 V 7.37 4.47 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 1.08 0.00 0.00 0.95 0.00 0.00 24 Q 8.88 4.61 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 25 P 0.00 4.43 0.00 2.17 2.17 0.00 3.76 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 1.98 1.94 0.00 26 S 7.47 4.86 0.00 4.13 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 27 R 8.54 3.88 0.00 1.88 2.02 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 28 L 7.81 3.91 0.00 1.71 1.63 0.86 0.92 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 29 E 8.17 4.00 0.00 2.03 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 2.31 2.44 0.00 30 K 8.45 3.91 0.00 2.04 2.03 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 31 A 8.10 3.97 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 32 K 8.21 3.95 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.52 7.81 33 R 8.00 3.85 0.00 2.02 2.06 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 34 L 8.05 3.93 0.00 1.81 1.80 0.91 0.97 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 35 I 7.82 3.66 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.47 0.90 0.00 0.00 36 S 8.06 4.04 0.00 3.98 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 37 R 7.85 3.92 0.00 2.02 1.95 0.00 3.21 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 38 L 8.21 4.03 0.00 1.81 1.79 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.19 3.33 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 0.71 0.00 0.00 0.87 0.00 0.00 40 D 7.85 4.35 0.00 2.85 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 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0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 85 G 7.56 4.07 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 86 T 7.88 4.77 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 87 A 9.16 4.44 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 88 I 7.15 2.79 1.45 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.71 0.00 0.00 89 G 7.83 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 90 E 8.09 3.92 0.00 2.11 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 2.40 2.37 0.00 91 A 7.60 3.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.92 3.60 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.62 4.53 0.00 3.29 3.26 0.00 5.95 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.04 4.04 0.00 1.91 1.94 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 2.30 2.30 0.00 120 G 7.86 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.61 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.64 3.88 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 0.00 123 V 7.74 3.50 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 1.04 0.00 0.00 0.93 0.00 0.00 124 E 8.14 3.89 0.00 2.07 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 2.37 2.37 0.00 125 A 8.23 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.42 3.95 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 0.00 127 K 8.22 3.96 0.00 1.96 2.01 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.60 7.81 128 A 8.17 4.01 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 0.00 129 A 8.10 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.71 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 0.00 131 E 7.80 4.43 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 132 K 7.85 4.41 0.00 1.74 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.47 7.81 133 G 7.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.53 4.52 1.97 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 0.74 0.56 0.95 0.00 0.00 135 Q 8.92 4.90 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 136 V 8.84 4.63 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 0.98 0.00 0.00 0.95 0.00 0.00 137 S 9.03 5.14 0.00 3.81 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 0.00 138 V 8.67 4.91 2.32 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 1.13 0.00 0.00 1.00 0.00 0.00 139 L 9.47 4.69 0.00 1.57 1.51 0.89 0.88 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 0.00 140 G 8.82 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.79 4.69 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 1.00 0.00 0.00 0.97 0.00 0.00 142 G 9.03 4.15 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 0.00 0.00 0.00 *144 P 0.00 4.70 0.00 2.23 2.16 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 145 E 8.16 4.09 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 146 G 8.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.58 4.83 1.21 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 0.00 148 P 0.00 5.22 0.00 1.88 1.86 0.00 3.31 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.53 0.00 149 I 8.29 4.64 1.94 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 1.44 0.76 0.97 0.00 0.00 150 P 0.00 3.99 0.00 1.90 1.87 0.00 3.94 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 1.96 1.98 0.00 151 V 7.75 4.10 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 0.90 0.00 0.00 0.86 0.00 0.00 152 E 9.28 3.93 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 153 G 8.03 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.10 4.64 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 1.18 0.00 0.00 155 N 8.51 4.80 0.00 2.67 2.83 0.00 0.00 6.54 8.06 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 0.00 156 D 7.59 5.10 0.00 2.73 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 0.00 157 Y 8.30 5.02 0.00 2.89 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 R 8.89 4.15 0.00 1.78 1.88 0.00 3.23 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 159 R 8.40 5.04 0.00 1.77 1.72 0.00 3.23 0.00 0.00 3.45 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 160 D 8.63 4.67 0.00 2.91 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 0.00 161 R 8.73 3.86 0.00 1.80 2.03 0.00 3.24 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 162 E 8.13 4.04 0.00 2.23 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 2.32 2.31 0.00 163 G 8.45 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 0.00 164 N 8.53 4.77 0.00 2.98 2.73 0.00 0.00 6.62 7.44 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 0.00 165 V 8.27 3.96 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 0.74 0.00 0.00 0.93 0.00 0.00 166 I 8.76 4.07 1.91 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 1.13 1.33 0.93 0.00 0.00 167 V 8.40 4.58 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 0.76 0.00 0.00 0.90 0.00 0.00 168 T 9.04 4.80 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 1.29 0.00 0.00 169 R 8.94 4.95 0.00 1.69 1.79 0.00 3.22 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.53 0.00 170 L 8.55 4.12 0.00 1.73 1.66 1.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 171 N 9.03 4.78 0.00 2.68 2.90 0.00 0.00 7.28 7.32 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 0.00 172 E 8.51 3.91 0.00 2.00 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 2.51 2.34 0.00 173 G 7.99 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 0.00 0.00 0.00 *175 C 8.15 4.46 0.00 2.81 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 0.00 176 Q 8.08 3.81 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.06 1.51 0.00 177 E 8.23 4.02 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 178 I 7.70 3.65 2.01 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 1.56 0.97 0.90 0.00 0.00 179 A 7.97 4.22 1.50 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 0.00 180 K 8.20 3.86 0.00 1.92 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 181 D 7.91 4.57 0.00 2.84 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 0.00 182 G 8.46 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 K 7.65 4.03 0.00 1.96 1.91 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.36 7.81 184 G 8.13 4.72 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 0.00 185 I 8.38 4.78 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.88 0.96 0.00 0.00 186 Y 8.55 5.39 0.00 2.97 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 0.00 187 V 7.58 4.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.79 0.00 0.00 188 R 8.08 4.29 0.00 1.88 1.83 0.00 3.44 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 189 V 9.09 4.07 2.06 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 0.80 0.00 0.00 0.91 0.00 0.00 190 D 8.20 5.15 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 N 8.79 4.38 0.00 2.73 2.92 0.00 0.00 6.80 7.57 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 0.00 192 S 8.02 4.43 0.00 3.97 3.89 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 0.00 193 N 8.51 4.76 0.00 2.77 2.84 0.00 0.00 6.57 7.57 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 0.00 194 S 7.88 4.09 0.00 4.03 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 0.00 195 A 7.84 3.88 1.27 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 0.00 0.00 196 Q 7.98 3.86 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 197 K 8.09 3.90 0.00 1.80 1.83 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.59 7.81 198 A 8.04 3.98 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 0.00 199 I 7.92 3.66 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 1.51 1.19 0.96 0.00 0.00 200 S 8.35 4.12 0.00 3.96 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 0.00 201 Q 8.01 4.06 0.00 2.28 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 202 E 7.79 3.93 0.00 1.91 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 203 I 7.68 3.86 2.01 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 1.58 0.85 0.91 0.00 0.00 204 S 7.76 4.38 0.00 4.06 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 0.00 205 K 7.82 4.14 0.00 1.93 2.01 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *207 A 7.99 4.30 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 0.00 208 K 7.56 4.55 0.00 1.77 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.52 7.81 209 S 8.05 4.34 0.00 3.79 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 * Residues marked with a * may have inaccurate shift predictions.