NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.6344 8.3449 115.6573 58.4580 30.8805 172.9690 3 N 4.6570 8.4860 116.1347 51.4533 39.6054 172.6391 4 L 4.9046 8.0593 119.4946 54.6471 46.4426 172.9914 5 Y 5.5151 8.5147 123.1176 56.9198 41.2711 173.0799 6 R 5.6306 9.6952 118.6166 53.8601 34.1064 177.4161 *8 E 4.2896 8.7622 124.3947 56.7335 31.0616 174.7915 9 D 4.6175 7.9103 119.4330 53.5723 41.4551 176.3318 10 K 4.2886 8.7593 126.5877 58.1882 32.5717 176.4741 11 D 4.8286 8.4459 117.6070 51.7184 41.6019 174.0765 12 W 5.2130 8.1452 119.5687 56.5550 31.3513 178.0053 13 V 2.7984 6.8744 117.9124 65.8946 30.2937 177.7311 14 S 4.0365 7.9395 111.1488 60.6509 62.3534 175.2352 15 K 4.2486 8.0449 118.6319 57.2379 33.3584 177.4144 16 W 4.7435 8.5220 118.7259 56.8437 31.7548 176.0796 17 A 4.7783 8.0999 120.2217 50.9619 18.4795 175.8367 18 Q 4.0718 7.9612 123.3769 57.8232 30.0386 175.8522 19 D 4.6558 8.0562 114.7774 53.0439 39.8473 175.5050 20 A 4.6478 7.5104 121.3972 50.9560 20.8021 177.4722 21 E 4.0979 9.2054 123.1859 55.8559 30.1814 175.2893 22 S 4.8716 8.4778 122.7832 56.8596 63.4470 174.1217 23 L 4.7792 8.0829 127.1172 55.3451 41.0299 175.5523 24 I 4.6401 7.5753 110.5826 60.0285 40.5531 175.0077 25 N 4.6433 8.4329 119.3824 51.4296 37.4183 175.7715 26 L 4.3378 7.9560 125.7107 54.2077 42.8042 173.9690 *28 P 4.4398 0.0000 0.0000 62.2043 32.8826 176.0969 29 A 4.8719 7.3438 117.2797 49.9347 22.6421 174.9664 30 Y 4.8102 8.2698 115.5022 56.5362 42.0914 174.1676 31 Q 4.9570 8.6714 123.5332 54.3335 33.4494 173.8647 *33 N 4.7108 8.4658 119.4136 52.1226 39.8874 172.2619 34 P 3.7191 0.0000 0.0000 64.3354 31.6745 176.1829 35 D 4.5726 8.7215 119.5277 55.0556 42.3422 173.2626 36 Q 4.4473 8.0247 120.2897 56.7801 27.1085 178.7838 *38 G 3.9526 8.8624 113.1985 45.8818 0.0000 169.6490 39 P 5.1889 0.0000 0.0000 62.5605 32.3097 175.5560 40 I 4.6202 8.7470 115.4657 59.6933 41.6583 174.0287 41 V 4.8570 8.9657 125.0279 61.6118 32.7003 174.5957 42 R 5.0764 8.7145 125.0804 54.5408 32.2013 175.5378 43 N 5.2090 8.6843 117.9267 53.1377 40.1368 174.6357 44 T 4.8390 8.6983 116.6664 61.4943 71.8622 175.5606 45 A 3.9850 8.8536 126.4728 54.8197 18.5200 178.2622 46 D 4.5108 8.0635 113.8492 54.3364 41.2273 177.1148 47 G 3.8514 8.7976 107.8841 45.7200 0.0000 173.0928 48 K 4.7181 7.6892 118.6848 54.2233 36.1443 174.6891 49 K 5.1846 8.4188 118.6924 55.0544 35.8715 175.7517 50 Q 4.9186 9.0700 121.4522 54.2435 33.1236 174.1483 51 L 4.9264 8.7203 126.1213 54.0293 43.0800 175.2517 52 V 4.6876 8.5587 119.4687 60.1200 36.6774 173.7895 53 H 5.4714 8.7823 117.4846 54.7471 30.2032 174.6804 54 A 4.9060 8.6594 123.0406 50.2487 23.1601 175.2920 55 R 4.5103 9.4304 120.5000 55.2052 31.5690 175.4461 56 W 3.4790 9.4420 135.0000 59.6232 31.1458 174.2631 57 G 4.2411 7.8843 126.1676 44.7424 0.0000 171.1124 58 L 4.0672 7.9569 127.9335 52.6670 42.5481 175.3522 59 P 4.5985 0.0000 0.0000 62.8469 31.6637 177.0094 60 S 4.4234 9.0085 118.5015 57.1137 64.0273 173.2764 61 P 3.5665 0.0000 0.0000 62.5581 33.0336 177.9126 62 I 3.6680 7.9712 114.6465 63.9744 37.3681 178.3220 63 F 4.6340 7.7490 118.9252 59.8854 39.1879 177.9050 64 V 3.6532 7.7161 117.7206 65.8422 31.3542 178.0673 65 Q 4.0520 8.0022 117.6592 58.8885 28.5883 178.4339 66 K 3.9771 7.9489 120.1531 59.3750 32.1623 178.6726 67 K 3.9316 8.1863 119.8282 59.2828 32.1064 178.7060 68 A 3.9862 7.6158 119.9613 54.9059 18.3515 179.4895 69 A 4.5789 7.8747 120.7353 54.7257 18.4058 179.8294 70 E 3.7929 8.5685 117.3073 59.5794 29.0976 179.2424 71 A 4.0767 7.8596 120.7718 55.3444 18.4515 179.7150 72 R 3.7945 7.9299 116.7825 59.3863 30.0823 178.6203 73 A 3.1488 7.7693 120.5817 54.6781 18.1554 179.3963 74 D 4.2857 8.0818 118.0391 56.9582 40.7254 178.0937 75 K 4.2648 7.4298 115.2649 57.7082 33.2034 177.8130 76 L 4.4458 7.1232 119.9905 56.5128 42.6609 178.5636 77 K 4.1437 8.3202 119.5743 59.5871 32.0439 178.9124 78 A 4.0040 7.8868 120.9216 54.8527 18.4219 178.3390 79 K 3.9948 7.9364 115.0411 57.1098 33.1478 175.7103 80 G 3.6902 8.4770 105.4793 45.9887 0.0000 174.0513 81 K 4.5628 8.3607 115.3920 54.4500 36.6443 177.2285 82 A 4.1032 8.5714 126.9119 52.1142 19.0449 176.3037 83 F 4.8526 7.4442 114.6818 54.6124 41.1080 174.2072 84 D 4.7839 8.6410 120.6470 52.3304 42.4717 176.0115 85 I 3.9164 8.6181 122.6453 64.6966 37.1874 177.5320 86 N 4.3878 8.2977 117.2888 56.0530 38.3555 176.9449 87 E 4.0338 8.1214 119.1586 58.8133 29.8363 178.5037 88 L 4.1421 8.2712 119.0166 57.8786 41.8421 179.0334 89 I 3.9070 7.3636 117.7841 64.2904 37.0708 178.7695 90 R 3.9535 7.5123 114.1240 56.3060 30.0274 175.3098 *92 E 4.0308 7.7250 117.6927 54.7255 30.3700 173.2912 93 P 4.6759 0.0000 0.0000 63.1203 31.7643 175.6207 94 D 4.6870 9.1283 121.2379 52.0711 42.2791 176.0295 95 R 3.8322 8.5705 127.9342 57.9816 30.3836 177.4278 96 G 3.8992 7.9842 103.3860 44.6276 0.0000 172.8758 97 V 4.2305 8.5707 121.0593 61.0301 32.8671 176.4792 98 T 3.5240 8.2774 119.5345 63.6626 69.8615 174.1057 99 N 5.0194 7.7993 117.5621 50.8011 42.3524 174.7444 100 V 3.7745 7.9490 121.7407 60.3011 32.5997 175.8277 101 R 4.1028 8.7769 125.9000 56.9785 31.4212 175.9865 102 K 4.5161 7.9161 118.4877 54.7470 31.3272 176.9898 103 L 4.5816 8.6346 125.1040 57.0405 41.8328 178.1143 104 N 4.8676 8.2224 113.7629 52.4423 38.2284 174.8261 105 L 4.0976 8.0818 123.4457 54.7043 42.8275 175.3027 106 P 4.1331 0.0000 0.0000 66.1301 31.5817 177.6159 107 H 3.6719 8.1019 115.7794 58.9462 29.7178 176.1218 108 W 4.4798 7.6729 118.8075 59.0254 29.1538 178.4035 109 T 3.4684 7.1860 108.0831 64.0910 67.9010 175.2907 110 R 3.8386 7.0644 116.5755 57.0072 29.8996 176.7581 111 W 4.7892 7.1908 118.7155 56.6246 29.4689 176.3648 112 F 4.4859 7.7600 116.5061 57.4391 39.3101 176.7775 113 G 3.9252 7.6565 109.6400 44.3885 0.0000 174.6429 114 V 3.5566 8.5036 119.9993 65.7102 31.2546 177.9983 115 E 4.1193 8.2491 116.6673 58.6241 29.6796 177.2293 116 H 4.8628 8.2598 116.4729 55.6307 30.4016 174.1814 117 R 4.8715 8.0888 118.9373 56.1942 31.5443 175.3355 118 C 5.2784 9.2789 115.7277 57.3110 33.7377 172.4389 119 L 4.8917 9.2540 121.0924 53.2809 43.5958 175.7104 120 V 4.4054 8.1079 125.1538 60.1603 32.7435 172.9502 121 P 3.8253 0.0000 0.0000 62.5610 31.7105 176.2758 122 V 4.4539 6.9579 121.5709 60.7596 33.4367 174.1700 123 T 4.2198 8.5111 114.0722 62.2168 70.3646 174.7309 124 S 5.0243 7.4161 113.8529 57.4387 65.7616 174.5403 125 F 5.6490 8.6746 116.6406 55.3057 41.3569 173.6012 126 A 4.6126 8.9892 121.8949 50.4141 21.4277 176.1747 127 E 4.6517 8.5081 117.8507 53.9201 34.1801 173.4796 128 P 5.1714 0.0000 0.0000 62.0864 32.1502 176.1715 129 D 4.9416 8.8364 121.8918 51.8710 40.7067 174.6517 130 P 4.3029 0.0000 0.0000 65.2059 31.8613 178.3842 131 A 4.3643 7.9540 119.8808 53.1212 18.3159 177.4923 132 S 4.6666 7.9271 110.3898 57.4884 64.9035 174.6723 133 K 4.0197 7.5579 121.8483 56.4752 32.3816 175.8565 134 Q 4.5168 8.1851 122.3158 53.8375 30.1826 174.0364 135 E 3.4955 8.1553 116.2568 60.0604 30.3918 177.7079 136 G 3.9511 7.7102 111.6337 43.4062 0.0000 172.3356 137 G 4.1507 7.1061 105.6857 44.4018 0.0000 171.2395 138 N 4.4791 8.3380 117.7827 52.0455 39.4143 175.2956 139 V 3.8302 8.0107 120.3140 62.6862 32.1002 174.1614 140 P 4.8573 0.0000 0.0000 62.4956 33.5901 174.2815 141 N 5.5133 9.1511 115.5669 51.3899 43.0983 173.5269 142 A 4.7969 8.6851 122.5258 50.0038 21.9021 175.4084 143 W 4.8753 9.1878 122.8562 55.1033 31.4697 175.4729 144 F 5.3068 8.6074 122.6906 55.8518 41.7911 174.3461 145 A 4.8686 8.6066 122.2933 50.7002 22.6612 177.5244 146 R 3.8297 8.7020 119.6223 59.3068 30.4302 175.6935 147 D 4.6053 7.4064 114.7624 52.4007 41.7945 175.6091 148 E 3.8698 8.6974 117.8456 59.0391 29.3930 178.0846 149 A 4.1464 8.0770 119.2178 51.6943 19.4193 176.7418 150 K 3.8289 8.0799 114.9769 56.9158 29.9247 176.1663 151 S 4.1017 8.1711 113.5320 58.4759 63.7427 175.2019 152 L 3.6037 8.0525 125.5753 55.0030 42.6205 175.8979 *154 F 4.1702 8.2362 118.7416 57.1216 40.4090 174.7612 155 F 4.7639 8.5925 121.8090 56.1039 40.6991 175.2618 156 A 3.4373 8.3144 124.1526 51.3487 18.5369 177.0506 157 G 4.6024 8.9090 109.1518 46.2740 0.0000 171.3849 158 I 5.4871 9.3739 121.0804 59.8650 41.1268 174.3648 159 H 5.4104 9.2647 122.6288 53.7508 31.7447 174.1728 160 V 4.0964 8.6724 119.3968 60.1654 33.7173 172.8125 161 P 4.7189 0.0000 0.0000 63.9066 32.0873 176.8657 162 Q 3.1771 9.1802 116.5421 56.7109 26.3653 171.8326 163 W 4.9084 9.2678 130.3827 55.2378 33.1847 174.6307 164 K 5.4829 8.0266 127.0678 55.4856 33.4924 176.0017 165 S 4.4004 8.1000 117.5497 58.2407 66.2699 175.5696 166 V 4.5764 7.7442 120.0043 61.0494 30.7585 176.6433 167 R 4.1607 8.5603 125.6393 57.7385 30.5858 177.6435 168 K 4.5878 7.7419 117.1864 54.1356 35.1608 177.0149 169 V 3.5912 8.7973 124.1154 64.9808 31.1823 178.4754 170 R 3.8963 7.9938 119.0506 58.9195 30.0121 176.8852 171 D 4.4765 8.1740 115.9879 54.4755 41.7791 178.3733 172 G 3.7865 7.6283 108.2410 45.0988 0.0000 171.7298 173 L 4.5455 8.4292 123.5368 55.1414 42.8341 177.5904 174 T 4.7871 9.1313 115.6555 60.3735 73.1322 172.9619 175 T 4.9516 8.5676 118.3964 62.2365 70.1724 173.3580 176 D 5.1661 8.9868 126.0904 52.2848 45.4271 175.0272 177 D 5.0816 8.6950 120.7243 53.9632 42.4266 175.6329 178 L 5.5465 9.0453 123.5002 53.4744 45.4436 174.8536 179 Y 5.2701 8.4174 117.7818 56.6499 42.1430 173.4431 180 G 4.4998 8.9400 106.6293 46.0069 0.0000 171.8590 181 F 5.5776 7.7889 113.9045 54.9122 41.8518 174.2625 182 L 4.7477 8.7568 120.0015 55.0425 42.7318 176.2232 183 T 4.9452 8.0670 110.8729 60.7845 72.1861 172.4429 184 T 4.5318 7.7692 114.3831 61.4226 70.0660 172.3239 185 D 4.6974 8.6189 121.0093 53.7085 41.4822 175.0502 186 P 4.4117 0.0000 0.0000 62.3289 32.5397 175.9893 187 N 4.7696 8.1878 117.6275 51.8062 39.3980 175.1453 188 D 4.4101 8.6034 117.4703 56.6594 40.6385 177.7931 189 L 4.3458 7.7872 119.7898 56.6569 42.8049 177.6559 190 V 3.9265 7.5104 117.3112 64.7677 32.1334 177.2541 191 K 4.1628 8.0846 121.1742 58.6912 31.7500 176.7203 192 P 4.4155 0.0000 0.0000 64.7755 31.1849 177.1653 193 I 4.1894 7.1357 115.8868 62.5867 38.2378 175.4398 194 H 4.8665 8.6482 121.7545 54.3564 31.4044 173.2712 195 E 4.1859 8.7306 127.4901 57.3125 30.2313 177.3043 196 K 3.9554 7.9218 118.8731 57.8721 32.8667 176.0081 197 A 4.2197 7.0577 118.7175 51.7848 23.2691 173.1432 *199 P 4.1739 0.0000 0.0000 62.9213 32.6765 176.7967 200 V 3.8772 8.2992 121.3712 62.6093 32.5996 174.8152 201 L 4.8839 8.3153 126.6941 52.8196 45.0808 175.6572 202 L 4.5265 8.9045 123.4553 53.3435 42.4249 176.4604 203 L 4.3231 9.3262 125.0375 55.4023 42.9605 177.0807 204 T 4.9247 7.7583 107.8824 59.1259 72.9628 174.9333 205 R 4.4088 8.8569 122.0160 59.1918 30.1793 177.9778 206 E 4.0876 8.3844 116.9866 59.8113 29.3003 178.9819 207 E 4.0631 8.1118 119.3724 59.3624 29.4391 179.3361 208 T 4.0121 7.9773 109.8399 64.7648 68.6004 176.6268 209 E 4.0258 8.5499 121.1327 59.1688 29.7335 178.8367 210 I 3.9541 7.8199 119.9096 64.1804 36.9616 178.9928 211 W 4.3039 7.7802 123.8114 58.4663 30.3390 176.6834 *213 R 4.2836 7.9707 117.7176 55.4450 31.5386 176.2191 214 A 4.2767 8.0929 120.3070 50.5839 19.3610 175.4990 215 P 4.4664 0.0000 0.0000 62.0989 32.3137 177.0403 216 W 4.4131 9.1312 129.6098 61.3212 30.1699 177.9566 217 D 4.1628 8.2168 116.5248 56.1784 40.4574 177.1758 218 E 4.3247 8.2894 119.2885 58.1149 30.6667 177.5696 219 A 4.0343 7.7026 120.3906 54.9203 18.3789 179.3961 220 K 3.0157 7.1267 117.2167 59.6371 31.9806 178.7482 221 H 4.3919 7.5065 116.5611 57.4939 28.7140 176.3681 222 L 4.4174 7.5215 119.8967 55.4181 41.7732 177.7712 223 A 4.3251 7.3414 124.6353 50.7393 17.0455 176.8219 224 R 4.6970 7.3855 116.2851 52.8777 33.0316 174.4320 225 P 4.3406 0.0000 0.0000 62.5552 31.8885 176.3298 226 L 4.1795 8.0752 119.8450 53.7533 42.1740 175.0946 227 P 4.4748 0.0000 0.0000 62.6172 31.8381 177.5796 228 N 4.3898 8.7013 116.9718 55.7492 38.5569 176.0554 229 D 4.8721 7.9372 115.2121 52.9415 39.8547 177.0917 230 A 4.0752 7.8219 124.9550 55.0089 18.4758 178.3742 231 L 5.0179 7.6265 113.4761 53.4606 44.6548 175.8727 232 I 4.7380 8.5588 119.0462 60.0489 42.0488 175.3999 233 I 3.9320 8.2487 125.4108 60.1385 36.5163 175.6471 234 L 4.2513 8.6429 129.1119 57.3265 42.3211 177.4771 235 S 4.5447 7.2531 110.8358 57.9528 65.8042 176.0464 236 R 5.0376 8.7798 119.1321 54.8435 32.0186 174.8980 237 E 4.9765 8.8548 123.9872 53.4847 33.2271 174.5968 238 P 4.8066 0.0000 0.0000 62.0870 32.4247 175.0613 239 Y 4.1719 8.4325 120.6410 59.0467 38.8700 175.8019 240 G 3.9980 8.5974 115.4053 45.4244 0.0000 173.8184 241 S 4.1446 7.6923 114.7485 58.6323 62.7658 173.2727 242 S 4.8702 8.4975 120.0698 55.5544 65.3386 173.3568 243 I 4.1775 8.1882 117.3062 60.7729 38.3991 176.0553 244 V 3.9631 7.7456 126.2462 61.9377 31.3251 175.1926 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 C 8.34 4.63 0.00 3.42 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.49 4.66 0.00 2.69 2.60 0.00 0.00 6.68 6.97 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 4 L 8.06 4.90 0.00 1.81 1.48 1.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.51 5.52 0.00 3.51 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 9.70 5.63 0.00 1.75 1.86 0.00 2.42 0.00 0.00 2.91 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 *8 E 8.76 4.29 0.00 1.94 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 2.17 2.27 0.00 9 D 7.91 4.62 0.00 2.51 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.76 4.29 0.00 1.83 1.90 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.35 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 11 D 8.45 4.83 0.00 2.62 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 12 W 8.15 5.21 0.00 3.79 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 6.87 2.80 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 0.78 0.00 0.00 -0.30 0.00 0.00 14 S 7.94 4.04 0.00 3.85 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 15 K 8.04 4.25 0.00 1.68 1.83 0.00 1.60 0.00 0.00 1.93 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.52 1.39 7.81 16 W 8.52 4.74 0.00 3.91 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.78 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.96 4.07 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.13 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 19 D 8.06 4.66 0.00 2.82 2.73 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 20 A 7.51 4.65 1.30 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 0.00 0.00 0.00 21 E 9.21 4.10 0.00 2.01 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 2.25 0.00 22 S 8.48 4.87 0.00 3.86 3.70 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 23 L 8.08 4.78 0.00 1.74 1.65 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.58 4.64 1.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 0.89 0.00 0.00 25 N 8.43 4.64 0.00 2.77 2.87 0.00 0.00 6.88 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 26 L 7.96 4.34 0.00 1.63 1.70 1.28 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *28 P 0.00 4.44 0.00 2.20 2.18 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 29 A 7.34 4.87 1.11 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 30 Y 8.27 4.81 0.00 2.84 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 0.00 0.00 0.00 0.00 0.00 31 Q 8.67 4.96 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 *33 N 8.47 4.71 0.00 3.09 2.82 0.00 0.00 6.84 8.03 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 34 P 0.00 3.72 0.00 1.85 1.64 0.00 3.74 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 1.80 1.48 0.00 35 D 8.72 4.57 0.00 2.71 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 36 Q 8.02 4.45 0.00 2.45 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.30 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 *38 G 8.86 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 5.19 0.00 2.17 2.01 0.00 3.09 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.21 0.00 40 I 8.75 4.62 1.70 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 1.12 0.60 0.14 0.00 0.00 41 V 8.97 4.86 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 1.03 0.00 0.00 1.18 0.00 0.00 42 R 8.71 5.08 0.00 1.37 1.82 0.00 2.52 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 43 N 8.68 5.21 0.00 2.76 2.80 0.00 0.00 6.74 7.16 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 44 T 8.70 4.84 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 1.30 0.00 0.00 45 A 8.85 3.99 1.30 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 0.00 0.00 0.00 46 D 8.06 4.51 0.00 2.69 2.73 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 47 G 8.80 3.85 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 0.00 0.00 0.00 48 K 7.69 4.72 0.00 1.70 1.73 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 49 K 8.42 5.18 0.00 1.67 1.67 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.44 7.81 50 Q 9.07 4.92 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 51 L 8.72 4.93 0.00 1.72 1.54 0.63 0.79 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 52 V 8.56 4.69 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 0.67 0.00 0.00 0.93 0.00 0.00 53 H 8.78 5.47 0.00 3.08 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.66 4.91 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 55 R 9.43 4.51 0.00 1.99 1.92 0.00 3.18 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 56 W 9.44 3.48 0.00 3.31 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.88 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 0.00 0.00 0.00 0.00 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0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.50 7.81 67 K 8.19 3.93 0.00 2.01 1.99 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 68 A 7.62 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.87 4.58 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.57 3.79 0.00 2.12 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 2.34 2.51 0.00 71 A 7.86 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.93 3.79 0.00 1.95 2.03 0.00 3.04 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 73 A 7.77 3.15 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.08 4.29 0.00 2.80 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 75 K 7.43 4.26 0.00 1.92 1.88 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.47 7.81 76 L 7.12 4.45 0.00 1.74 1.80 0.97 0.57 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 77 K 8.32 4.14 0.00 2.35 1.91 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.60 7.81 78 A 7.89 4.00 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 79 K 7.94 3.99 0.00 1.95 2.04 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.44 7.81 80 G 8.48 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 81 K 8.36 4.56 0.00 1.94 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.55 7.81 82 A 8.57 4.10 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 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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 2.47 2.40 0.00 93 P 0.00 4.68 0.00 2.08 1.99 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 94 D 9.13 4.69 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.57 3.83 0.00 1.76 1.91 0.00 3.26 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 96 G 7.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.57 4.23 2.35 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 1.30 0.00 0.00 1.06 0.00 0.00 98 T 8.28 3.52 3.47 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 -0.26 0.00 0.00 99 N 7.80 5.02 0.00 2.41 2.49 0.00 0.00 6.71 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 0.00 100 V 7.95 3.77 0.71 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 0.00 109 T 7.19 3.47 4.16 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 1.33 0.00 0.00 110 R 7.06 3.84 0.00 1.44 1.55 0.00 2.21 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 111 W 7.19 4.79 0.00 3.21 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 0.00 112 F 7.76 4.49 0.00 2.42 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 0.00 0.00 0.00 113 G 7.66 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 0.00 0.00 0.00 114 V 8.50 3.56 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 0.99 0.00 0.00 0.98 0.00 0.00 115 E 8.25 4.12 0.00 2.10 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 2.15 2.23 0.00 116 H 8.26 4.86 0.00 3.24 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.09 4.87 0.00 1.75 1.62 0.00 2.21 0.00 0.00 2.76 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 118 C 9.28 5.28 0.00 3.08 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 0.00 119 L 9.25 4.89 0.00 1.54 1.43 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.11 4.41 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 0.95 0.00 0.00 1.04 0.00 0.00 121 P 0.00 3.83 0.00 1.02 0.84 0.00 3.78 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 1.60 1.46 0.00 122 V 6.96 4.45 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 -0.92 0.00 0.00 0.79 0.00 0.00 123 T 8.51 4.22 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 1.07 0.00 0.00 124 S 7.42 5.02 0.00 4.15 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 0.00 125 F 8.67 5.65 0.00 3.47 3.46 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 0.00 126 A 8.99 4.61 -0.22 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 0.00 127 E 8.51 4.65 0.00 2.17 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 2.54 2.54 0.00 128 P 0.00 5.17 0.00 1.89 2.01 0.00 3.33 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 129 D 8.84 4.94 0.00 2.66 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 0.00 130 P 0.00 4.30 0.00 2.27 2.32 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 131 A 7.95 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 7.93 4.67 0.00 3.97 3.87 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 0.00 133 K 7.56 4.02 0.00 1.73 1.72 0.00 1.77 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 134 Q 8.19 4.52 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 135 E 8.16 3.50 0.00 1.92 1.92 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 2.30 2.41 0.00 136 G 7.71 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.11 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 0.00 138 N 8.34 4.48 0.00 2.65 2.51 0.00 0.00 6.89 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 0.00 139 V 8.01 3.83 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 0.83 0.00 0.00 0.92 0.00 0.00 140 P 0.00 4.86 0.00 2.21 2.25 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 141 N 9.15 5.51 0.00 2.53 2.26 0.00 0.00 7.15 6.57 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 0.00 142 A 8.69 4.80 0.98 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 0.00 143 W 9.19 4.88 0.00 3.22 3.06 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 0.00 144 F 8.61 5.31 0.00 1.51 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 4.87 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 0.00 146 R 8.70 3.83 0.00 1.72 1.93 0.00 3.51 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 147 D 7.41 4.61 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 3.87 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 149 A 8.08 4.15 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 0.00 150 K 8.08 3.83 0.00 1.83 1.80 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.34 7.81 151 S 8.17 4.10 0.00 3.85 3.79 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 0.00 152 L 8.05 3.60 0.00 1.49 1.32 -0.01 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *154 F 8.24 4.17 0.00 2.73 2.67 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 0.00 155 F 8.59 4.76 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.31 3.44 -0.25 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 0.00 157 G 8.91 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 9.37 5.49 1.93 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.24 0.94 0.00 0.00 159 H 9.26 5.41 0.00 3.33 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.67 4.10 1.49 0.00 0.00 0.00 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 -0.85 0.00 0.00 161 P 0.00 4.72 0.00 2.22 2.17 0.00 4.01 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 2.12 2.10 0.00 162 Q 9.18 3.18 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 163 W 9.27 4.91 0.00 3.37 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 0.00 164 K 8.03 5.48 0.00 1.65 1.66 0.00 1.05 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.00 7.81 165 S 8.10 4.40 0.00 3.97 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 0.00 166 V 7.74 4.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.94 0.00 0.00 167 R 8.56 4.16 0.00 1.88 2.01 0.00 3.49 0.00 0.00 4.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 168 K 7.74 4.59 0.00 1.78 1.68 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.40 7.81 169 V 8.80 3.59 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 0.82 0.00 0.00 0.93 0.00 0.00 170 R 7.99 3.90 0.00 1.80 2.01 0.00 3.24 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 171 D 8.17 4.48 0.00 2.85 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 0.00 172 G 7.63 3.79 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 0.00 0.00 0.00 173 L 8.43 4.55 0.00 1.66 1.57 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 174 T 9.13 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 1.23 0.00 0.00 175 T 8.57 4.95 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 1.24 0.00 0.00 176 D 8.99 5.17 0.00 2.68 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 0.00 0.00 0.00 0.00 177 D 8.70 5.08 0.00 2.70 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 0.00 0.00 0.00 0.00 0.00 178 L 9.05 5.55 0.00 1.39 1.57 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 179 Y 8.42 5.27 0.00 3.15 3.06 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 0.00 180 G 8.94 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.79 5.58 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 4.75 0.00 1.63 1.61 1.26 0.74 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 0.00 183 T 8.07 4.95 4.19 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 0.00 0.00 0.00 1.10 0.00 0.00 184 T 7.77 4.53 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 1.15 0.00 0.00 185 D 8.62 4.70 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.41 0.00 2.25 2.00 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 187 N 8.19 4.77 0.00 3.09 3.00 0.00 0.00 6.11 8.07 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 0.00 188 D 8.60 4.41 0.00 2.86 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 0.00 189 L 7.79 4.35 0.00 1.67 1.72 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 190 V 7.51 3.93 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 0.90 0.00 0.00 0.50 0.00 0.00 191 K 8.08 4.16 0.00 1.98 1.83 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.37 7.81 192 P 0.00 4.42 0.00 2.11 2.15 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 193 I 7.14 4.19 2.24 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 1.12 0.00 0.00 194 H 8.65 4.87 0.00 3.14 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 E 8.73 4.19 0.00 1.96 1.92 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 2.24 2.28 0.00 196 K 7.92 3.96 0.00 1.59 1.56 0.00 1.95 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 197 A 7.06 4.22 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 *199 P 0.00 4.17 0.00 1.86 1.89 0.00 3.37 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.73 0.00 200 V 8.30 3.88 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 0.74 0.00 0.00 0.89 0.00 0.00 201 L 8.32 4.88 0.00 1.39 1.32 0.73 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 202 L 8.90 4.53 0.00 1.47 1.55 0.68 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 203 L 9.33 4.32 0.00 1.69 1.72 0.91 0.66 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 0.00 204 T 7.76 4.92 4.48 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 1.27 0.00 0.00 205 R 8.86 4.41 0.00 1.85 1.99 0.00 3.11 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 206 E 8.38 4.09 0.00 2.23 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 2.43 2.40 0.00 207 E 8.11 4.06 0.00 2.25 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 0.00 2.36 2.36 0.00 208 T 7.98 4.01 4.19 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 0.00 0.00 0.00 1.12 0.00 0.00 209 E 8.55 4.03 0.00 2.12 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 0.00 2.53 2.52 0.00 210 I 7.82 3.95 2.12 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 1.84 1.02 1.05 0.00 0.00 211 W 7.78 4.30 0.00 3.47 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 *213 R 7.97 4.28 0.00 2.00 2.03 0.00 3.35 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 214 A 8.09 4.28 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 0.00 215 P 0.00 4.47 0.00 2.27 2.22 0.00 3.73 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 2.07 1.97 0.00 216 W 9.13 4.41 0.00 3.54 3.19 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 0.00 0.00 0.00 0.00 217 D 8.22 4.16 0.00 2.68 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 0.00 218 E 8.29 4.32 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 2.21 2.29 0.00 219 A 7.70 4.03 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 0.00 220 K 7.13 3.02 0.00 0.84 0.74 0.00 0.96 0.00 0.00 0.92 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.64 0.82 7.81 221 H 7.51 4.39 0.00 3.21 3.31 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 L 7.52 4.42 0.00 1.80 1.79 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 223 A 7.34 4.33 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 0.00 224 R 7.39 4.70 0.00 1.84 1.82 0.00 3.02 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 225 P 0.00 4.34 0.00 2.17 2.32 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 226 L 8.08 4.18 0.00 1.64 1.63 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 227 P 0.00 4.47 0.00 2.18 1.99 0.00 3.59 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 2.11 2.11 0.00 228 N 8.70 4.39 0.00 2.72 2.90 0.00 0.00 6.80 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 0.00 229 D 7.94 4.87 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 A 7.82 4.08 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 0.00 231 L 7.63 5.02 0.00 1.65 1.78 1.13 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 232 I 8.56 4.74 2.00 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 1.26 0.98 0.90 0.00 0.00 233 I 8.25 3.93 1.78 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 1.09 0.53 0.67 0.00 0.00 234 L 8.64 4.25 0.00 1.51 1.68 0.87 0.68 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 0.00 235 S 7.25 4.54 0.00 3.80 3.85 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 0.00 236 R 8.78 5.04 0.00 1.67 1.91 0.00 3.15 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 237 E 8.85 4.98 0.00 2.15 1.89 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 2.19 2.29 0.00 238 P 0.00 4.81 0.00 2.30 2.24 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 239 Y 8.43 4.17 0.00 3.28 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 0.00 240 G 8.60 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 0.00 241 S 7.69 4.14 0.00 3.90 3.87 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 0.00 242 S 8.50 4.87 0.00 3.79 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 0.00 243 I 8.19 4.18 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.67 0.00 0.00 244 V 7.75 3.96 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 0.69 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.