NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 A 4.3281 8.1227 122.4584 51.3668 21.6585 176.0496 32 E 4.5547 8.0690 115.9692 54.0225 31.2059 170.1630 33 V 4.2724 9.0217 128.0563 60.8636 34.4463 174.1032 34 L 4.7659 8.6206 128.0360 54.9412 41.9051 176.6075 35 L 4.6985 9.4618 122.9600 55.7333 44.1172 176.9752 36 L 4.7173 7.7271 119.4914 53.6781 45.9978 174.4078 37 D 5.1773 8.7717 124.9847 52.7552 43.6276 175.8126 38 S 4.4314 9.1292 121.7887 60.2444 63.4056 175.5169 39 K 4.1299 8.6479 120.0310 57.8672 32.3498 177.8066 40 A 4.2907 8.0193 123.6899 54.7077 21.0440 180.5536 41 Q 3.5310 9.1324 113.0181 55.2060 26.3317 176.2299 42 Q 3.3589 9.3419 112.5881 58.2683 27.0043 173.5274 *46 E 4.2286 7.9224 112.4165 55.8717 31.4223 176.7356 47 W 5.2804 8.5986 115.1717 56.9894 31.5357 176.1294 48 I 4.3625 8.0825 121.2194 60.4436 38.9336 174.5521 49 S 5.3651 8.7829 124.6447 56.9234 65.6321 173.6218 50 S 4.6817 9.4233 118.6358 55.8425 65.1750 171.8594 51 P 4.8158 0.0000 0.0000 61.5303 32.0150 175.5094 52 P 4.2766 0.0000 0.0000 65.6226 31.0538 176.7069 53 N 4.9455 8.1613 113.9741 52.4368 38.6378 175.2612 54 G 3.3573 8.4415 109.7264 47.6725 0.0000 175.2712 55 W 4.5154 9.2900 120.6130 56.6827 30.5980 176.3559 56 E 4.8628 9.4108 125.5823 54.4014 31.7229 175.0736 57 E 4.1634 8.8067 125.1358 55.9190 30.7065 175.6814 58 I 4.5565 8.7377 127.5619 59.6709 40.5934 174.8325 59 S 5.1021 8.5373 122.2742 57.4379 66.1093 173.9744 60 G 4.1348 8.3535 106.7057 46.1826 0.0000 171.9585 61 L 5.2222 8.3546 119.1040 52.8598 45.4726 176.3282 62 D 4.6695 8.5593 122.7493 51.9142 40.9421 176.8682 63 E 3.6922 8.4788 116.1879 58.5514 29.4095 177.1805 64 N 4.5494 8.0183 115.1307 52.8174 39.1030 174.7438 65 Y 3.6831 7.6353 115.0435 58.8173 36.1672 169.4152 66 T 4.1703 8.1343 118.0278 62.4668 69.1216 172.3697 67 P 4.7499 0.0000 0.0000 62.9553 32.1488 175.5994 68 I 4.3555 8.6835 125.9999 59.6765 39.2520 174.8588 69 R 4.7137 8.6016 126.5001 54.5815 32.2413 175.2019 70 T 4.8193 8.3999 114.3831 59.9226 72.5276 172.6001 71 Y 5.2280 8.7669 120.1819 56.5229 40.7701 174.9375 72 Q 5.3839 9.7057 123.0536 54.3400 33.4129 174.9289 73 V 4.3924 8.3986 120.5404 60.1703 34.8134 174.2446 74 C 4.9927 7.8735 122.8184 56.1819 44.4406 175.3124 75 Q 4.3167 7.3571 123.0834 54.9845 27.5159 177.0052 76 V 3.8379 7.3489 110.9043 63.3952 32.6649 177.5039 77 M 4.4987 7.8965 117.9593 54.9016 31.9163 175.4011 78 E 4.6762 7.6773 117.8785 53.8108 33.2389 173.8117 79 P 4.5055 0.0000 0.0000 62.7013 32.7049 174.8673 80 N 4.1789 8.5114 112.7531 54.4705 36.0375 175.0398 81 Q 4.1624 7.8489 116.7290 55.8065 30.2130 176.4064 82 N 5.4164 8.5920 122.2901 51.7801 39.0225 171.1709 83 N 5.2791 9.2315 118.6009 51.1557 41.1592 174.0712 84 W 5.3170 9.8574 124.5171 54.8217 32.4917 174.8248 85 L 5.1445 8.6567 124.7094 53.2461 44.5270 174.9056 86 R 4.9294 8.7480 126.5077 54.3673 32.9246 175.3075 87 T 2.4800 7.9457 116.6055 60.5868 69.8388 173.7546 88 N 4.7956 8.0849 119.3434 52.2544 39.3650 174.9454 89 W 3.7795 8.8885 129.9152 58.0274 31.5706 175.0058 90 I 3.9819 6.9055 127.1748 58.9640 39.1745 174.8299 91 S 3.7915 7.9862 122.8590 57.5671 62.5205 174.3939 92 K 4.1291 8.7774 126.4592 57.5426 33.9286 178.3909 93 G 3.7540 7.4655 107.2161 47.3266 0.0000 173.5999 94 N 4.6664 8.7448 120.7308 52.6212 38.5494 174.6337 95 A 3.0945 6.8107 121.0992 51.6768 19.2816 176.6837 96 Q 4.0240 7.9708 119.1407 56.7395 29.7627 175.8884 97 R 4.4765 8.0997 119.5593 56.2239 32.0517 176.4919 98 I 4.3952 8.5797 124.0532 59.4443 40.3295 174.5226 99 F 4.9481 8.7752 125.5361 55.7976 41.4900 175.0273 100 V 4.7834 8.7795 122.5730 61.1805 34.2838 173.5803 101 E 5.2959 9.9045 129.9262 54.5672 31.8769 174.2585 102 L 5.3933 9.2601 127.3876 53.0175 44.7897 175.4348 103 K 5.3309 9.1336 123.7637 54.7310 34.8407 175.2681 104 F 5.4663 8.6531 118.0755 56.2247 41.6819 173.2009 105 T 4.7868 8.7664 111.1710 60.6882 71.4802 173.8243 106 L 4.9204 8.1614 124.9801 54.3857 44.3968 175.1914 107 R 4.3237 8.4433 126.0632 55.6149 31.2990 176.7832 108 D 4.4929 8.6628 122.1394 54.6347 41.2144 178.6483 109 C 4.4401 8.9400 120.8364 59.8520 40.6074 176.0284 110 N 4.3449 8.2482 116.7888 56.2370 38.1748 176.3605 111 S 4.2906 7.7290 110.4755 59.6798 63.5473 173.9797 112 L 4.4510 7.3070 121.1694 52.9899 42.3601 175.3585 113 P 4.5367 0.0000 0.0000 61.2263 31.0471 176.7999 *117 G 3.9965 7.8164 119.3812 46.6388 0.0000 172.0400 118 T 4.5932 8.2424 107.9958 61.0290 69.2758 175.4903 119 C 4.6139 8.1290 121.4572 57.4278 44.5841 172.2244 120 K 4.8370 8.5354 125.4639 54.9600 34.8049 175.6648 121 E 4.7928 8.6404 118.1971 56.1216 30.4174 175.3645 122 T 5.2741 7.7686 108.0526 60.2837 72.4784 172.0451 123 F 5.1523 8.7479 116.1726 55.5420 42.3479 172.7805 124 N 5.2329 9.2657 116.0839 51.3560 41.4952 173.7093 125 L 5.1158 8.5033 125.2132 53.7898 44.1281 174.8836 126 Y 5.5002 9.3136 123.5260 56.6849 42.2920 173.8838 127 Y 5.6714 9.4303 117.6158 56.4175 42.1420 173.4086 128 Y 4.7207 8.9671 121.7700 55.8372 41.8793 173.7466 129 E 4.6766 8.1867 125.2406 56.0850 31.1976 175.6138 130 T 4.3955 8.3808 115.7909 61.1344 70.7733 174.2644 131 D 4.3123 8.5319 126.4117 56.4665 41.1980 176.3579 132 Y 4.0758 6.9824 115.0211 55.4355 41.6200 174.8620 133 D 4.2176 7.3608 122.4299 54.3283 40.5909 176.4104 134 T 4.0420 9.1050 117.7900 62.7763 69.2342 175.1990 135 G 3.9703 7.3951 108.0113 44.9071 0.0000 172.5890 136 R 4.4372 8.6435 115.7196 56.1646 30.0172 176.4702 137 N 4.7588 7.8081 114.9751 51.8619 40.2224 174.5956 138 I 4.1289 7.9576 121.5425 59.8795 38.4896 176.4181 139 R 4.1944 8.0014 126.0345 53.9278 28.6710 176.5534 140 E 2.9942 7.9101 123.0661 58.8983 29.7242 179.6688 141 N 4.3714 7.8201 114.9256 55.9786 38.7117 176.0988 142 L 4.0566 7.8427 117.2575 56.4016 42.0046 176.7878 143 Y 4.4414 7.4436 115.9031 57.3247 38.8147 174.6866 144 V 4.5444 8.7152 124.4554 60.9370 33.8451 174.6786 145 K 3.7194 8.6787 129.4895 56.7015 32.1494 176.3943 146 I 3.9929 8.8251 129.4992 63.4281 37.6609 175.4279 147 D 4.3491 7.2605 118.2855 53.7196 44.5374 174.2347 148 T 4.4351 8.4361 118.9899 63.1409 69.6893 174.2758 149 I 4.2703 8.8313 127.5798 59.4191 39.0742 174.6785 150 A 5.2205 8.4956 127.8049 49.7247 22.0035 175.4344 151 A 4.4569 8.0736 118.8317 51.3254 19.5536 177.2757 152 D 4.3345 8.9419 120.2068 55.4395 40.8820 175.4140 153 E 4.0104 8.1005 125.9899 56.4683 29.4075 174.5251 *166 K 3.9670 7.2734 119.3804 55.9263 32.9482 174.7563 167 L 4.4634 7.4899 121.0367 53.5389 43.7749 175.8840 168 N 4.6234 8.4963 124.5144 52.6017 40.3851 174.4669 169 T 5.1779 8.2591 118.2518 61.9335 71.7956 173.0982 170 E 4.8469 9.5608 125.9995 54.4431 33.2299 175.0238 171 V 5.0761 8.6370 123.5813 61.2090 34.0942 174.7294 172 R 4.7474 8.9598 125.7678 54.3317 33.9263 173.7958 173 E 4.7126 8.6731 123.6044 54.4428 31.3114 174.7240 174 I 4.2138 8.6773 119.7262 59.7042 41.7470 175.5984 175 G 3.5686 8.2102 109.2600 43.6483 0.0000 171.3190 176 P 4.9593 0.0000 0.0000 62.0679 31.8061 175.9984 177 L 4.4613 7.8987 121.5319 53.4117 42.8783 177.4465 178 S 4.1714 8.6285 117.4297 60.5102 63.5000 174.7532 179 K 4.4651 7.5218 119.2799 54.8839 33.2396 177.1043 180 K 4.1151 9.2457 120.2303 59.2034 32.3917 176.9410 181 G 4.0018 7.6320 104.3264 46.4956 0.0000 171.8239 182 F 5.0334 7.1281 112.0987 56.3830 41.5577 172.6443 183 Y 4.8476 8.7173 118.0089 56.6046 40.4035 174.7817 184 L 5.3422 8.2337 121.9500 53.3447 44.3550 175.4837 185 A 4.6594 8.7768 123.4161 49.9635 23.1002 174.8162 186 F 5.2124 8.6302 119.3351 55.6320 42.2374 174.0680 187 Q 4.5963 9.3054 125.8448 54.2302 31.0040 173.4814 188 D 5.1056 9.5019 127.2765 52.7661 43.0634 176.9463 189 V 5.3844 7.9568 116.6373 60.3111 32.7598 174.8290 190 G 3.6910 8.1496 108.9971 46.1648 0.0000 174.0149 191 A 4.9647 8.8084 122.8704 50.2410 21.7603 175.7900 192 C 4.9702 8.3648 119.5017 55.0836 44.7217 171.8006 193 I 5.1346 8.9617 126.1432 58.9949 40.7779 174.3897 194 A 5.0207 8.5905 127.4956 50.0858 21.4300 175.1702 195 L 4.5816 9.3962 126.4106 55.2552 42.5207 177.1274 196 V 4.1557 9.0486 127.2458 64.2302 33.2737 176.0714 197 S 4.7623 7.8404 113.6885 56.8423 66.2404 173.0891 198 V 5.0638 9.1514 126.1218 61.2633 34.5509 174.1439 199 K 5.3505 9.4727 127.1991 54.6618 35.9309 175.3828 200 V 5.0857 9.2587 124.3116 61.4263 34.5852 173.8183 201 Y 5.4973 8.4694 124.4046 56.6235 41.8856 172.5469 202 Y 5.5323 8.9530 117.9314 55.6898 42.4446 173.6363 203 K 4.9982 8.9929 119.9582 55.0111 35.4913 177.5922 204 K 4.4205 8.7249 126.8291 55.5511 31.3511 174.7492 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 31 A 8.12 4.33 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 32 E 8.07 4.55 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 33 V 9.02 4.27 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 0.00 0.00 0.91 0.00 0.00 0.67 0.00 0.00 34 L 8.62 4.77 0.00 1.61 1.66 0.92 1.05 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 35 L 9.46 4.70 0.00 1.67 1.72 1.12 0.39 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 36 L 7.73 4.72 0.00 1.72 1.51 1.11 1.15 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 37 D 8.77 5.18 0.00 2.85 2.53 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 38 S 9.13 4.43 0.00 3.99 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 39 K 8.65 4.13 0.00 1.96 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.55 7.81 40 A 8.02 4.29 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 41 Q 9.13 3.53 0.00 2.25 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.85 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 42 Q 9.34 3.36 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 *46 E 7.92 4.23 0.00 2.01 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 0.00 2.13 1.91 0.00 47 W 8.60 5.28 0.00 2.91 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 48 I 8.08 4.36 1.93 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 1.38 1.52 0.90 0.00 0.00 49 S 8.78 5.37 0.00 3.93 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 50 S 9.42 4.68 0.00 3.79 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.82 0.00 2.50 2.20 0.00 4.00 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 52 P 0.00 4.28 0.00 2.25 2.30 0.00 3.79 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 2.00 0.00 53 N 8.16 4.95 0.00 2.87 2.98 0.00 0.00 6.00 7.00 0.00 0.00 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 G 8.44 3.36 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 0.00 55 W 9.29 4.52 0.00 3.28 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.41 4.86 0.00 1.89 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 2.47 2.39 0.00 57 E 8.81 4.16 0.00 1.70 1.66 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 1.80 1.47 0.00 58 I 8.74 4.56 1.82 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 1.20 0.48 0.87 0.00 0.00 59 S 8.54 5.10 0.00 3.65 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.35 4.13 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 0.00 0.00 0.00 61 L 8.35 5.22 0.00 1.58 1.52 1.03 1.05 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 62 D 8.56 4.67 0.00 2.84 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 63 E 8.48 3.69 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 64 N 8.02 4.55 0.00 2.84 2.89 0.00 0.00 7.02 7.46 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 65 Y 7.64 3.68 0.00 3.16 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 66 T 8.13 4.17 4.62 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 1.21 0.00 0.00 67 P 0.00 4.75 0.00 1.92 1.98 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 68 I 8.68 4.36 1.83 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 1.20 0.86 0.88 0.00 0.00 69 R 8.60 4.71 0.00 1.47 1.57 0.00 3.03 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 70 T 8.40 4.82 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 0.00 1.18 0.00 0.00 71 Y 8.77 5.23 0.00 2.99 3.16 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 0.00 0.00 0.00 72 Q 9.71 5.38 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 73 V 8.40 4.39 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 0.00 0.00 -0.81 0.00 0.00 0.50 0.00 0.00 74 C 7.87 4.99 0.00 2.82 2.92 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 75 Q 7.36 4.32 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.35 6.85 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 76 V 7.35 3.84 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 0.75 0.00 0.00 0.91 0.00 0.00 77 M 7.90 4.50 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 78 E 7.68 4.68 0.00 1.87 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 2.19 2.25 0.00 79 P 0.00 4.51 0.00 2.18 2.06 0.00 3.92 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 1.99 1.98 0.00 80 N 8.51 4.18 0.00 2.90 2.95 0.00 0.00 6.96 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 81 Q 7.85 4.16 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 82 N 8.59 5.42 0.00 2.76 2.78 0.00 0.00 7.10 7.79 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 83 N 9.23 5.28 0.00 2.57 2.75 0.00 0.00 6.86 7.28 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 84 W 9.86 5.32 0.00 3.27 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 85 L 8.66 5.14 0.00 0.93 0.72 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.75 4.93 0.00 1.73 1.59 0.00 2.35 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 87 T 7.95 2.48 3.38 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 0.29 0.00 0.00 88 N 8.08 4.80 0.00 2.91 3.00 0.00 0.00 6.83 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 89 W 8.89 3.78 0.00 3.30 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 90 I 6.91 3.98 0.56 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.45 0.53 0.00 0.00 91 S 7.99 3.79 0.00 3.85 3.67 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 92 K 8.78 4.13 0.00 1.91 2.03 0.00 1.49 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.28 7.81 93 G 7.47 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 94 N 8.74 4.67 0.00 2.82 2.83 0.00 0.00 6.73 7.35 0.00 0.00 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 A 6.81 3.09 0.69 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 0.00 0.00 96 Q 7.97 4.02 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 97 R 8.10 4.48 0.00 1.52 1.58 0.00 3.08 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 98 I 8.58 4.40 1.48 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.80 0.00 0.00 99 F 8.78 4.95 0.00 1.86 2.41 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 0.00 100 V 8.78 4.78 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 1.08 0.00 0.00 0.90 0.00 0.00 101 E 9.90 5.30 0.00 2.40 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 0.00 2.36 2.41 0.00 102 L 9.26 5.39 0.00 1.93 1.83 1.17 1.04 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 0.00 103 K 9.13 5.33 0.00 1.75 1.73 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 104 F 8.65 5.47 0.00 3.33 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 0.00 105 T 8.77 4.79 4.27 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 1.21 0.00 0.00 106 L 8.16 4.92 0.00 2.09 1.79 1.26 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.44 4.32 0.00 1.74 1.86 0.00 3.23 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 108 D 8.66 4.49 0.00 2.75 2.61 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 0.00 109 C 8.94 4.44 0.00 3.09 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 0.00 110 N 8.25 4.34 0.00 2.72 2.89 0.00 0.00 6.95 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 0.00 111 S 7.73 4.29 0.00 3.99 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 0.00 112 L 7.31 4.45 0.00 1.70 1.63 0.92 0.97 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 0.00 113 P 0.00 4.54 0.00 2.17 2.08 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 *117 G 7.82 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 0.00 118 T 8.24 4.59 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 1.22 0.00 0.00 119 C 8.13 4.61 0.00 2.96 3.03 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 0.00 120 K 8.54 4.84 0.00 1.78 1.70 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.53 7.81 121 E 8.64 4.79 0.00 2.02 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 2.32 2.28 0.00 122 T 7.77 5.27 4.31 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 1.23 0.00 0.00 123 F 8.75 5.15 0.00 3.44 3.14 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 0.00 124 N 9.27 5.23 0.00 2.79 2.61 0.00 0.00 6.95 6.34 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 0.00 125 L 8.50 5.12 0.00 1.73 1.56 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.31 5.50 0.00 2.98 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 0.00 127 Y 9.43 5.67 0.00 3.36 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.97 4.72 0.00 1.68 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 0.00 0.00 0.00 0.00 129 E 8.19 4.68 0.00 1.95 1.88 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 1.96 2.06 0.00 130 T 8.38 4.40 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 1.38 0.00 0.00 131 D 8.53 4.31 0.00 1.58 1.54 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 0.00 132 Y 6.98 4.08 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.36 4.22 0.00 2.14 2.36 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 0.00 134 T 9.11 4.04 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 1.39 0.00 0.00 135 G 7.40 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.64 4.44 0.00 1.83 1.98 0.00 3.25 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 137 N 7.81 4.76 0.00 2.64 2.65 0.00 0.00 6.95 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 0.00 138 I 7.96 4.13 1.62 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 0.36 0.00 0.00 139 R 8.00 4.19 0.00 1.68 1.70 0.00 2.90 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 140 E 7.91 2.99 0.00 1.48 1.12 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 1.47 1.47 0.00 141 N 7.82 4.37 0.00 2.58 2.81 0.00 0.00 6.95 7.85 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 0.00 142 L 7.84 4.06 0.00 1.02 0.76 0.32 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.44 4.44 0.00 3.00 3.28 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 0.00 144 V 8.72 4.54 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 1.10 0.00 0.00 0.86 0.00 0.00 145 K 8.68 3.72 0.00 1.28 1.51 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.17 0.66 7.81 146 I 8.83 3.99 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.79 0.77 0.00 0.00 147 D 7.26 4.35 0.00 2.65 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 0.00 0.00 0.00 0.00 148 T 8.44 4.44 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 1.14 0.00 0.00 149 I 8.83 4.27 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.40 0.46 0.00 0.00 150 A 8.50 5.22 1.22 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 0.00 0.00 151 A 8.07 4.46 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 0.00 152 D 8.94 4.33 0.00 2.64 2.64 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 0.00 153 E 8.10 4.01 0.00 2.06 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 2.16 2.27 0.00 *166 K 7.27 3.97 0.00 1.77 1.76 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.41 7.81 167 L 7.49 4.46 0.00 1.62 1.50 0.92 1.05 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 0.00 168 N 8.50 4.62 0.00 1.44 2.12 0.00 0.00 6.32 7.07 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 0.00 169 T 8.26 5.18 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 1.27 0.00 0.00 170 E 9.56 4.85 0.00 2.12 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 2.47 2.66 0.00 171 V 8.64 5.08 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 1.02 0.00 0.00 1.07 0.00 0.00 172 R 8.96 4.75 0.00 1.69 1.67 0.00 3.27 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 173 E 8.67 4.71 0.00 1.70 1.62 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 1.76 1.47 0.00 174 I 8.68 4.21 1.17 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.26 0.45 0.00 0.00 175 G 8.21 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 P 0.00 4.96 0.00 1.95 1.88 0.00 3.62 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 177 L 7.90 4.46 0.00 1.46 1.46 0.26 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.63 4.17 0.00 3.92 3.94 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 0.00 179 K 7.52 4.47 0.00 1.77 1.69 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.51 7.81 180 K 9.25 4.12 0.00 1.81 1.97 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 181 G 7.63 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 0.00 182 F 7.13 5.03 0.00 3.25 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 8.72 4.85 0.00 3.26 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 0.00 184 L 8.23 5.34 0.00 1.32 1.15 1.02 1.13 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 0.00 185 A 8.78 4.66 0.99 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 0.00 0.00 186 F 8.63 5.21 0.00 2.33 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 0.00 187 Q 9.31 4.60 0.00 0.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 1.98 1.19 0.00 188 D 9.50 5.11 0.00 2.58 2.28 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 0.00 189 V 7.96 5.38 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 0.95 0.00 0.00 0.98 0.00 0.00 190 G 8.15 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 0.00 0.00 0.00 191 A 8.81 4.96 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 0.00 192 C 8.36 4.97 0.00 2.97 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 0.00 193 I 8.96 5.13 1.60 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.88 0.00 0.00 194 A 8.59 5.02 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 0.00 195 L 9.40 4.58 0.00 1.66 1.77 0.85 -0.40 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 0.00 196 V 9.05 4.16 2.26 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 0.80 0.00 0.00 1.03 0.00 0.00 197 S 7.84 4.76 0.00 3.95 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 9.15 5.06 2.60 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 1.22 0.00 0.00 1.16 0.00 0.00 199 K 9.47 5.35 0.00 1.93 1.86 0.00 1.79 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.46 7.81 200 V 9.26 5.09 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 1.26 0.00 0.00 1.06 0.00 0.00 201 Y 8.47 5.50 0.00 3.23 3.03 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 0.00 202 Y 8.95 5.53 0.00 3.23 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 0.00 203 K 8.99 5.00 0.00 1.76 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.44 7.81 204 K 8.72 4.42 0.00 1.55 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.