NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4927 8.1927 115.3065 57.8212 63.9646 173.8902 3 L 3.3313 8.7279 129.5083 57.4374 41.9689 177.5487 4 R 3.4531 8.8903 119.3830 59.4268 30.4501 177.8385 5 S 4.0111 7.9107 114.1384 61.9314 62.8883 176.4310 6 D 4.3831 8.4456 121.8033 57.0216 40.4198 178.7246 7 L 3.8797 8.3373 121.3357 58.2858 42.1308 178.9684 8 I 3.6295 7.7336 118.4969 63.9970 37.8183 177.6240 9 N 4.3279 8.0847 117.0025 56.0253 38.3240 177.2622 10 A 4.0261 8.2218 122.3421 55.0905 18.4478 179.7626 11 L 3.9615 8.1640 117.6696 58.2123 41.6524 179.0202 12 Y 3.9743 8.3892 119.8531 60.6829 38.6567 177.8634 13 D 4.3679 8.5004 118.9674 57.3068 41.4772 177.7299 14 E 4.1671 8.6853 120.3099 59.3698 29.4138 178.0404 15 N 4.4503 8.3339 115.9572 57.1029 39.0566 176.2293 16 Q 4.0614 7.8524 121.6189 59.1829 29.2462 178.0930 17 K 4.1994 7.9891 122.2412 56.2557 32.6768 178.3587 18 Y 5.0459 7.9023 114.3608 56.9585 41.5081 174.5115 19 D 4.9372 8.7633 123.3076 52.1835 42.8900 176.1993 20 V 3.9300 7.7997 125.1101 63.1854 31.9794 175.6181 21 C 4.6766 8.3925 117.3471 57.0052 31.4933 173.1741 22 G 4.1423 7.3540 106.8666 46.3928 0.0000 172.1973 23 I 4.6999 8.4403 114.1096 59.0785 39.8371 174.6459 24 I 5.2019 8.4340 124.9093 59.3701 40.7423 174.6039 25 S 4.8676 8.8838 122.1631 56.5785 65.0880 174.9749 26 A 4.0369 8.7533 123.5320 55.4529 18.1473 178.5704 27 E 4.1558 8.1512 112.4833 56.9065 29.6932 177.6091 28 G 3.9307 8.7314 108.1020 44.9184 0.0000 173.5984 29 K 4.2105 8.0168 121.8871 55.8974 33.8185 175.5202 30 I 4.9798 8.2329 127.1842 59.7343 40.3120 173.8933 31 Y 4.9709 9.0289 124.9449 55.4307 39.9852 174.0736 32 P 4.8711 0.0000 0.0000 62.7527 32.4507 175.8874 33 L 4.4458 8.3940 121.3407 53.7148 43.2409 176.2954 34 G 4.0045 8.2752 111.2794 45.0988 0.0000 174.2722 35 S 4.5499 8.2494 113.6003 57.7377 62.7217 174.3319 36 D 4.5401 7.6059 120.5065 55.3037 42.9882 177.2320 37 T 4.1359 8.4649 125.9039 66.4660 68.0428 177.7096 38 K 3.9405 8.4789 126.1782 59.7838 31.6653 183.0709 39 V 3.5578 7.4231 118.9325 65.8974 31.7230 177.9789 40 L 3.3055 7.7267 118.9450 57.4724 41.3157 179.8113 41 S 4.2288 8.2535 115.9655 61.2156 63.0654 176.7775 42 T 3.8675 7.3205 119.0353 66.1583 68.0327 176.8630 43 I 3.6042 7.2805 121.6584 64.5335 37.0790 178.4685 44 F 4.1281 7.8940 118.7324 60.5310 38.4961 177.7998 45 E 4.1563 8.1794 118.2295 59.4814 29.1224 179.2832 46 L 4.1202 7.6818 117.4767 57.7350 41.7191 179.0458 47 F 4.3172 8.5133 120.3680 61.3464 39.6215 177.0723 48 S 4.3738 8.1643 114.7354 61.0279 62.6986 176.4033 49 R 3.8531 8.0586 121.3981 59.0730 29.8714 177.1806 50 P 4.2489 0.0000 0.0000 65.8464 31.2833 178.4315 51 I 3.5962 7.5076 119.0630 64.2104 37.1009 178.2160 52 I 3.5696 7.6102 120.6052 64.2505 36.8307 177.9973 53 N 4.3371 8.2051 120.3117 57.0985 38.7669 177.6924 54 K 3.9618 8.1864 125.1352 60.0015 32.0041 180.9489 55 I 3.9352 7.7265 121.2619 63.9228 37.0004 178.4245 56 A 4.1221 8.2676 124.0124 56.0328 18.2434 180.1507 57 E 4.0279 8.2333 116.7635 61.2096 29.5228 181.0567 58 K 4.1602 8.1760 119.5388 59.0527 32.2038 177.6104 59 H 4.8539 7.9481 113.7057 54.9609 29.0507 175.5373 60 G 3.7873 7.9686 108.0573 46.1590 0.0000 173.5408 61 Y 4.4860 8.2871 117.0181 56.9751 39.3222 175.0491 62 I 4.5249 8.6757 124.3487 59.8859 39.3734 174.8976 63 V 4.9201 8.4706 126.1745 59.9825 33.4011 174.5903 64 E 4.8581 9.5114 125.8619 54.3856 32.5715 174.2887 65 E 5.2526 8.9710 125.0370 52.5631 32.5863 173.9405 66 P 4.2248 0.0000 0.0000 64.3328 31.1799 177.1747 67 K 4.1442 8.8119 124.4675 56.5675 32.2307 175.7561 68 Q 4.6353 7.5960 118.1497 54.2497 30.7962 175.8450 69 Q 4.1481 8.2160 118.2167 56.0303 28.9061 175.8737 70 N 4.5574 8.8549 110.2735 55.3276 35.6609 173.9669 71 H 5.1653 8.1093 114.4256 54.1656 31.8283 172.5000 72 Y 4.7087 8.8205 125.5484 55.8413 40.8161 172.8870 73 P 4.2881 0.0000 0.0000 60.7848 33.2886 174.7051 74 D 4.2915 8.6825 118.8285 56.9949 41.6489 177.2936 75 F 5.2619 8.6161 116.7241 55.9391 43.1441 173.9274 76 T 5.0314 9.3011 120.8046 61.9018 70.7938 173.2285 77 L 5.4586 8.8162 127.4932 53.2098 44.2950 175.2339 78 Y 5.2107 9.1054 120.1204 56.0390 41.7858 173.4704 79 K 4.2941 8.3637 120.8541 54.0917 33.5362 176.0999 80 P 4.0928 0.0000 0.0000 65.5070 31.2428 177.6375 81 S 4.2699 7.7793 112.0332 59.8016 64.3309 173.7867 82 E 4.7868 8.0745 121.0094 54.5825 29.5281 175.2262 83 P 4.3147 0.0000 0.0000 66.1733 32.3178 178.1279 84 N 4.6897 8.2038 116.7647 52.5358 37.7484 178.9017 85 K 4.7295 7.5082 120.8556 55.6685 32.1057 180.9250 86 K 4.3351 8.5127 121.4929 56.8462 33.8676 176.9387 87 I 4.7440 8.5249 121.8213 59.1304 41.1095 173.8002 88 A 4.9916 8.5358 130.8811 50.4868 21.0780 175.7763 89 I 5.0812 8.7718 123.1699 59.4817 40.8683 174.1285 90 D 5.2042 9.1940 126.1736 52.4877 44.4967 174.2106 91 I 4.9044 9.1868 127.0043 60.3548 38.4759 175.4228 92 K 4.9749 9.0277 125.3975 55.0671 35.8609 175.4346 93 T 5.6287 8.6569 118.2225 62.8066 73.5336 172.5359 94 T 4.7217 8.8186 117.7833 61.5052 71.6583 171.1667 95 Y 4.9876 8.1354 121.5283 55.4007 41.6879 173.2466 96 T 4.1934 8.3258 109.1455 59.5182 72.7495 172.7000 *102 K 4.2173 8.4484 119.5240 56.3736 33.3242 175.4469 103 I 4.7233 8.7406 116.4466 59.5736 41.7093 173.5174 104 K 5.2081 7.9750 121.1271 55.5746 35.0287 174.3120 105 F 5.1223 9.8003 123.8436 55.8441 43.4439 173.9653 106 T 4.6977 8.6849 110.9263 60.0516 69.9957 174.4202 107 L 4.6044 9.1530 129.1187 54.7074 42.1875 178.3540 108 G 4.0897 8.6665 102.7713 45.1696 0.0000 174.0261 109 G 4.2324 8.1554 107.8705 45.3697 0.0000 173.2522 110 Y 4.4558 7.7036 117.4340 56.7285 38.3805 176.8052 111 T 4.5940 7.3586 115.2916 63.4583 71.7933 174.4672 112 S 4.3204 7.7028 115.8206 58.1362 61.9310 176.4829 113 F 4.4015 8.9922 114.3715 59.3055 38.2318 177.1749 114 I 3.0449 6.5043 113.5909 62.4723 37.6183 176.6883 115 R 4.2405 7.5354 117.8230 56.1003 31.3033 175.4454 116 N 4.7761 8.1307 116.3739 51.6059 40.9921 173.9402 117 N 4.2783 8.7996 125.8980 56.5082 39.1440 175.6943 118 T 4.4953 7.9804 104.3071 60.9043 69.3826 173.6381 119 K 4.1487 8.3927 124.9288 56.7418 32.3733 176.1348 120 N 4.1982 8.8832 125.2525 54.0661 35.9495 173.7261 121 I 5.1159 7.3636 115.1034 59.1325 41.6664 174.5418 122 V 3.7153 9.0860 127.5795 65.6497 31.5232 175.8178 123 Y 4.8388 7.4941 113.3989 54.9056 41.2504 173.7986 124 P 4.6631 0.0000 0.0000 62.9116 31.9926 177.3683 125 F 4.3967 9.6627 125.9204 61.7162 39.6405 176.9861 126 D 4.5037 8.6155 120.1390 57.6966 40.7899 177.9514 127 Q 4.3364 8.2942 113.2906 56.2813 28.5362 174.5561 128 Y 4.8052 7.5261 117.2609 56.5919 39.5318 175.4450 129 I 4.5065 8.5320 116.8183 60.8227 39.1563 175.3279 130 A 4.7941 7.5356 123.8920 51.0037 23.0691 175.0844 131 H 5.0055 8.9418 116.5184 54.1154 32.0747 172.3931 132 W 5.4904 9.6785 124.6688 55.3683 31.8881 175.6678 133 I 4.9439 9.0049 123.6300 59.7669 39.9582 174.9112 134 I 3.9332 8.8071 129.5484 60.1047 37.9235 174.8671 135 G 3.3027 6.9754 115.0915 44.3373 0.0000 170.8074 136 Y 5.2695 9.0241 122.1180 55.8595 41.4016 175.1021 137 V 5.6393 9.1031 122.7088 59.0075 34.4755 174.1244 138 Y 5.2154 8.3777 120.8028 55.5647 42.1053 174.0106 139 T 5.0551 8.6332 119.6892 62.0374 70.2086 175.2460 140 R 4.4728 8.9170 127.8774 58.7752 30.1133 171.2364 141 V 3.9965 8.7691 118.4199 63.2353 32.2438 176.1600 *148 L 4.2270 9.0634 120.4521 54.5616 44.0795 176.2751 149 K 4.8330 7.7298 121.3547 53.5213 35.8291 179.9525 150 T 4.5843 8.0312 107.2443 62.2436 71.1965 173.2392 151 Y 4.9202 8.5782 120.3529 55.9487 42.8825 175.3073 152 N 5.1372 8.8620 120.3668 51.1016 40.3899 177.0280 153 I 3.6283 8.5921 113.1913 66.0213 37.4360 178.3029 154 N 4.6135 8.1911 114.3819 53.4414 37.4106 177.0394 155 E 4.7579 8.2102 116.3760 56.7372 30.7853 177.6137 156 L 3.9344 7.9567 121.6619 58.2392 41.7265 179.1857 157 N 4.4136 7.9881 112.9700 54.8228 38.8481 175.6276 158 E 4.1816 8.2891 117.1499 57.2618 30.2091 176.6525 159 I 3.0144 6.5832 120.8507 59.8096 37.0864 174.1372 160 P 4.0994 0.0000 0.0000 63.2828 31.7523 176.6631 161 K 3.9534 8.3013 125.1702 53.0929 32.3011 172.5929 162 P 4.4737 0.0000 0.0000 61.9067 30.7800 175.2363 163 Y 4.9494 6.8790 117.2773 57.5753 40.3548 174.1529 164 K 4.3674 8.8536 121.4281 55.5726 33.0511 178.4909 165 G 4.1827 7.5995 113.5690 43.9735 0.0000 170.8977 166 V 4.2563 8.1882 119.4962 61.1202 32.5800 175.6293 167 K 4.6413 9.0774 123.8018 54.4537 36.1161 175.5531 168 V 4.8060 8.0880 120.8162 60.0182 34.7285 174.1745 169 F 5.1581 8.4655 116.8517 55.2460 42.1671 173.0773 170 L 5.0593 8.5090 120.0546 53.6701 44.4784 175.1488 171 Q 4.5563 8.8899 123.7363 54.4093 34.1527 173.8545 172 D 5.0950 8.6332 120.7343 53.6479 42.2007 177.8229 173 K 3.8832 9.1607 125.4541 59.5722 32.0992 179.3284 174 W 2.8397 7.9327 116.2103 59.1308 27.6479 178.0820 175 V 2.7067 6.7396 118.9316 64.0883 30.7414 176.8643 176 I 4.1532 7.2445 110.2131 59.5150 37.5919 175.2358 177 A 4.4608 7.2943 124.6789 52.4027 19.0311 177.6216 178 G 4.4847 8.7225 111.1003 44.0997 0.0000 172.5686 179 D 4.4169 8.5819 116.6022 53.0435 40.7648 175.8416 180 L 5.1279 7.8617 120.5691 52.6846 44.1800 175.7975 181 A 4.5577 8.9926 125.2611 52.9407 18.5085 177.9426 182 G 3.9875 9.3573 108.4222 48.4906 0.0000 173.9896 183 S 4.3967 7.9713 112.5544 57.8521 65.9606 173.6060 184 G 3.7056 9.0971 109.9877 47.1201 0.0000 175.2668 185 N 4.2287 8.5668 122.0351 54.9136 38.0484 176.2921 186 T 4.1736 7.5698 111.7445 62.7936 68.0437 175.8313 187 T 3.3859 7.3990 107.2813 61.6571 67.3297 170.6822 188 N 5.2854 7.9679 127.4788 52.2717 41.8632 175.4330 189 I 2.8412 8.9360 123.8226 60.9151 38.3407 175.5701 190 G 4.8313 8.1289 113.1147 44.2310 0.0000 173.3148 191 S 5.5399 8.4268 117.5887 56.4795 65.3588 173.6895 192 I 3.8843 8.4286 113.8035 61.4856 38.1182 175.7861 193 H 5.1178 8.6775 123.8491 55.3501 30.4893 172.8171 194 A 4.5139 8.6159 126.9456 51.1156 23.4090 174.8969 195 H 4.6570 8.7136 115.5296 55.6802 29.7284 176.3640 196 Y 4.4328 9.2895 125.3551 62.0446 38.4296 179.5877 197 K 3.6843 8.3260 123.5897 60.0791 31.6159 180.2796 198 D 4.6086 8.1090 119.3996 56.8919 40.5607 179.0866 199 F 3.4768 7.8690 118.5948 60.1149 38.6378 177.7795 200 V 3.2767 7.0102 116.2473 65.9735 31.2397 176.8380 201 E 3.9343 8.2682 116.9503 56.7051 29.5017 176.8185 202 G 3.5261 7.4521 109.2881 47.1826 0.0000 176.0832 203 K 4.1611 7.8527 121.7038 52.9450 30.4044 179.4035 204 G 4.1179 7.5833 112.3518 43.7197 0.0000 170.4453 205 I 4.1696 7.1029 111.3968 61.1449 39.3330 176.2460 206 F 4.8590 7.8727 118.9527 57.3197 39.5796 175.1333 207 D 4.8284 9.3769 123.7201 56.1013 41.5552 177.0505 208 S 4.1208 7.6241 112.6756 55.8279 67.0699 174.4856 209 E 3.0657 7.2172 121.6987 58.6575 29.1019 178.4822 210 D 4.2881 7.6359 118.8890 57.1980 40.9571 177.9724 211 E 4.0124 8.2614 119.9055 59.1031 29.7064 178.4075 212 F 2.3000 7.7566 120.4410 60.8033 39.3760 177.0804 213 L 3.5397 7.9664 118.3971 57.6270 41.3242 178.9689 214 D 4.3308 8.2977 118.2446 57.5156 40.9714 177.4962 215 Y 3.3944 7.8535 120.2043 60.5060 38.5309 178.0999 216 W 3.7689 7.4966 116.8041 58.3488 29.3428 178.0816 217 R 4.1705 7.7068 118.1851 57.8869 29.5720 176.3353 218 N 4.8759 7.4094 113.3891 52.6989 39.6180 173.4734 219 Y 3.2447 7.1044 120.6045 56.7967 39.1031 174.8470 220 E 4.0646 7.2808 128.0937 55.1799 30.7180 176.0904 221 R 4.5605 9.0400 124.6024 58.2992 30.5253 177.4583 222 T 4.7103 7.3681 106.7662 59.4277 72.8011 175.1455 223 S 4.0658 8.5886 119.4926 61.8153 62.7857 177.1561 224 Q 3.9348 7.9178 123.6105 60.2630 28.1185 182.9769 225 L 4.2763 7.4003 119.7532 57.4157 40.6572 179.3875 226 R 3.9748 7.8072 115.6935 57.7470 28.9614 178.5701 227 N 4.6351 7.7634 123.3683 57.3784 37.6331 180.6818 228 D 5.2041 7.6748 117.0852 52.5101 41.6016 179.8375 229 K 4.6877 8.0253 120.2394 57.3405 34.7357 176.7184 230 Y 4.9315 5.3700 109.5688 56.4523 41.6109 175.9641 231 N 4.7623 9.1776 118.5515 52.1852 39.8519 172.9394 232 N 5.4728 7.7632 114.7341 51.5496 41.6174 174.8329 233 I 3.8316 8.6829 119.5307 64.2869 37.8802 177.8468 234 S 4.1757 8.1461 115.5467 61.8835 62.6892 176.4707 235 E 4.0928 9.2577 121.4960 59.4408 29.0748 178.8234 236 Y 3.5514 8.2239 119.6876 60.7115 38.7729 178.4241 237 R 3.7737 8.5248 119.2871 59.0335 30.0852 178.6215 238 N 4.3593 8.1609 117.1847 56.3117 38.9904 176.7911 239 W 4.1891 8.4892 130.2049 60.3858 30.6254 178.1652 240 I 3.2523 7.7743 120.0281 64.3431 36.3466 177.5687 241 Y 3.8290 8.0069 119.6313 60.6006 38.6972 177.9834 242 R 4.2305 7.8162 114.7367 56.3862 29.9178 176.7403 243 G 3.8151 7.9087 109.2542 45.2966 0.0000 174.2106 244 R 2.0000 7.8206 117.9940 55.7223 27.5227 177.3575 245 K 4.1661 7.0028 122.3667 55.2765 32.4248 177.3181 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 S 8.19 4.49 0.00 3.90 3.80 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 3 L 8.73 3.33 0.00 1.89 1.75 0.81 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.89 3.45 0.00 1.43 1.70 0.00 2.68 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 5 S 7.91 4.01 0.00 4.02 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 6 D 8.45 4.38 0.00 2.86 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 7 L 8.34 3.88 0.00 1.81 1.72 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.73 3.63 1.72 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 1.45 1.28 0.89 0.00 0.00 9 N 8.08 4.33 0.00 2.97 2.84 0.00 0.00 6.81 6.47 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 10 A 8.22 4.03 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 11 L 8.16 3.96 0.00 1.71 1.73 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.39 3.97 0.00 3.19 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 13 D 8.50 4.37 0.00 3.04 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 14 E 8.69 4.17 0.00 2.23 2.03 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 1.58 2.08 0.00 15 N 8.33 4.45 0.00 2.91 2.99 0.00 0.00 7.23 6.74 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 16 Q 7.85 4.06 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 17 K 7.99 4.20 0.00 1.90 1.69 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.33 1.33 7.81 18 Y 7.90 5.05 0.00 3.33 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.76 4.94 0.00 2.71 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 V 7.80 3.93 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 0.82 0.00 0.00 0.93 0.00 0.00 21 C 8.39 4.68 0.00 2.95 2.89 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 22 G 7.35 4.14 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 0.00 0.00 0.00 23 I 8.44 4.70 1.92 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 1.45 1.38 0.93 0.00 0.00 24 I 8.43 5.20 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.95 0.00 0.00 25 S 8.88 4.87 0.00 4.20 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 0.00 26 A 8.75 4.04 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 27 E 8.15 4.16 0.00 1.98 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 2.33 2.38 0.00 28 G 8.73 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 29 K 8.02 4.21 0.00 1.84 1.64 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.58 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.88 1.22 7.81 30 I 8.23 4.98 2.02 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 1.25 1.05 0.95 0.00 0.00 31 Y 9.03 4.97 0.00 2.93 2.89 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 32 P 0.00 4.87 0.00 2.02 2.06 0.00 3.80 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 33 L 8.39 4.45 0.00 1.58 1.53 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.28 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 35 S 8.25 4.55 0.00 3.64 3.74 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 36 D 7.61 4.54 0.00 2.68 2.49 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 0.00 0.00 0.00 0.00 37 T 8.46 4.14 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 38 K 8.48 3.94 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.33 7.81 39 V 7.42 3.56 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 40 L 7.73 3.31 0.00 1.12 0.43 -0.12 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.25 4.23 0.00 4.06 4.21 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 42 T 7.32 3.87 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 43 I 7.28 3.60 1.48 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 1.55 0.78 0.74 0.00 0.00 44 F 7.89 4.13 0.00 2.54 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.18 4.16 0.00 2.25 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 0.00 2.49 2.57 0.00 46 L 7.68 4.12 0.00 1.86 1.79 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.51 4.32 0.00 3.04 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.16 4.37 0.00 4.21 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 49 R 8.06 3.85 0.00 1.96 2.19 0.00 3.60 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.00 0.00 50 P 0.00 4.25 0.00 2.16 2.24 0.00 3.71 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 1.89 1.91 0.00 51 I 7.51 3.60 1.90 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.32 0.87 0.00 0.00 52 I 7.61 3.57 1.45 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.55 0.00 0.00 53 N 8.21 4.34 0.00 3.06 2.79 0.00 0.00 7.35 5.75 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 54 K 8.19 3.96 0.00 1.80 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 55 I 7.73 3.94 1.85 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 1.63 1.21 0.88 0.00 0.00 56 A 8.27 4.12 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 57 E 8.23 4.03 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 2.25 2.19 0.00 58 K 8.18 4.16 0.00 2.06 2.12 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 59 H 7.95 4.85 0.00 3.60 3.60 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.97 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 61 Y 8.29 4.49 0.00 2.87 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 62 I 8.68 4.52 1.86 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.41 1.05 0.00 0.00 63 V 8.47 4.92 2.15 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 0.81 0.00 0.00 1.15 0.00 0.00 64 E 9.51 4.86 0.00 2.23 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 2.34 2.39 0.00 65 E 8.97 5.25 0.00 1.83 1.67 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 1.97 2.17 0.00 66 P 0.00 4.22 0.00 2.17 2.05 0.00 3.70 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 1.88 1.89 0.00 67 K 8.81 4.14 0.00 1.80 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 0.99 7.81 68 Q 7.60 4.64 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.01 0.00 0.00 0.00 0.00 0.00 1.94 1.73 0.00 69 Q 8.22 4.15 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 70 N 8.85 4.56 0.00 2.94 3.06 0.00 0.00 6.69 8.16 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 71 H 8.11 5.17 0.00 3.21 3.19 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 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0.28 7.81 80 P 0.00 4.09 0.00 2.09 2.06 0.00 3.40 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 81 S 7.78 4.27 0.00 3.94 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 82 E 8.07 4.79 0.00 1.96 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 2.18 2.13 0.00 83 P 0.00 4.31 0.00 2.10 2.28 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 84 N 8.20 4.69 0.00 2.67 2.82 0.00 0.00 6.79 7.51 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 85 K 7.51 4.73 0.00 1.52 1.63 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.25 7.81 86 K 8.51 4.34 0.00 0.85 1.26 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.09 7.81 87 I 8.52 4.74 1.38 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 0.15 0.25 0.39 0.00 0.00 88 A 8.54 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.77 5.08 2.01 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 1.12 0.70 1.07 0.00 0.00 90 D 9.19 5.20 0.00 2.89 2.62 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 91 I 9.19 4.90 2.05 0.00 0.00 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 1.65 1.30 1.25 0.00 0.00 92 K 9.03 4.97 0.00 1.64 1.79 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.62 7.81 93 T 8.66 5.63 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 1.80 0.00 0.00 94 T 8.82 4.72 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 0.49 0.00 0.00 95 Y 8.14 4.99 0.00 1.85 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.33 4.19 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 1.06 0.00 0.00 *102 K 8.45 4.22 0.00 1.49 1.41 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.11 7.81 103 I 8.74 4.72 1.54 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 1.44 0.85 0.80 0.00 0.00 104 K 7.97 5.21 0.00 1.90 1.69 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.86 7.81 105 F 9.80 5.12 0.00 3.12 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 0.00 106 T 8.68 4.70 4.51 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 1.28 0.00 0.00 107 L 9.15 4.60 0.00 1.50 1.79 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.67 4.09 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 0.00 0.00 0.00 109 G 8.16 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.70 4.46 0.00 3.33 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 0.00 111 T 7.36 4.59 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 1.13 0.00 0.00 112 S 7.70 4.32 0.00 4.17 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 0.00 113 F 8.99 4.40 0.00 3.12 3.39 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 0.00 114 I 6.50 3.04 1.53 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 1.12 0.39 0.34 0.00 0.00 115 R 7.54 4.24 0.00 1.73 1.97 0.00 3.16 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 116 N 8.13 4.78 0.00 2.63 2.73 0.00 0.00 6.60 7.54 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 0.00 117 N 8.80 4.28 0.00 2.94 2.93 0.00 0.00 6.70 7.22 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 0.00 118 T 7.98 4.50 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 1.29 0.00 0.00 119 K 8.39 4.15 0.00 1.95 1.85 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.42 7.81 120 N 8.88 4.20 0.00 3.10 3.12 0.00 0.00 6.47 7.22 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 0.00 121 I 7.36 5.12 1.98 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 1.66 1.05 1.16 0.00 0.00 122 V 9.09 3.72 2.22 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 0.61 0.00 0.00 1.00 0.00 0.00 123 Y 7.49 4.84 0.00 2.98 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 0.00 124 P 0.00 4.66 0.00 2.30 2.12 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 125 F 9.66 4.40 0.00 3.30 3.48 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 0.00 126 D 8.62 4.50 0.00 2.81 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 0.00 127 Q 8.29 4.34 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.78 0.00 0.00 0.00 0.00 0.00 2.53 1.96 0.00 128 Y 7.53 4.81 0.00 2.61 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 0.00 129 I 8.53 4.51 1.88 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 1.15 0.56 0.89 0.00 0.00 130 A 7.54 4.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.94 5.01 0.00 3.22 3.41 0.00 5.61 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 0.00 132 W 9.68 5.49 0.00 3.20 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 9.00 4.94 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.37 0.73 0.00 0.00 134 I 8.81 3.93 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 0.98 0.70 0.00 0.00 135 G 6.98 3.30 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 0.00 136 Y 9.02 5.27 0.00 2.92 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 0.00 137 V 9.10 5.64 2.23 0.00 0.00 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 0.90 0.00 0.00 138 Y 8.38 5.22 0.00 3.11 3.18 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 0.00 139 T 8.63 5.06 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 1.26 0.00 0.00 140 R 8.92 4.47 0.00 1.61 1.72 0.00 3.21 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 141 V 8.77 4.00 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 0.99 0.00 0.00 0.96 0.00 0.00 *148 L 9.06 4.23 0.00 1.70 1.74 0.92 0.74 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 0.00 149 K 7.73 4.83 0.00 1.49 1.57 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.96 7.81 150 T 8.03 4.58 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 0.73 0.00 0.00 151 Y 8.58 4.92 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.86 5.14 0.00 2.35 2.69 0.00 0.00 7.12 7.73 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 0.00 153 I 8.59 3.63 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.42 0.92 0.00 0.00 154 N 8.19 4.61 0.00 2.77 2.76 0.00 0.00 6.44 7.66 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 0.00 155 E 8.21 4.76 0.00 2.27 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 0.00 2.54 2.29 0.00 156 L 7.96 3.93 0.00 1.73 1.75 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 157 N 7.99 4.41 0.00 2.69 2.84 0.00 0.00 6.87 7.66 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 0.00 158 E 8.29 4.18 0.00 1.93 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 2.29 2.24 0.00 159 I 6.58 3.01 1.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.03 0.70 0.00 0.00 160 P 0.00 4.10 0.00 2.11 2.03 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 161 K 8.30 3.95 0.00 1.71 1.73 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 0.99 7.81 162 P 0.00 4.47 0.00 2.19 2.07 0.00 3.34 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 163 Y 6.88 4.95 0.00 3.22 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 0.00 164 K 8.85 4.37 0.00 1.78 1.68 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.23 7.81 165 G 7.60 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.19 4.26 1.68 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 0.33 0.00 0.00 0.59 0.00 0.00 167 K 9.08 4.64 0.00 1.15 0.77 0.00 0.87 0.00 0.00 0.79 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.98 1.22 7.81 168 V 8.09 4.81 1.41 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 0.64 0.00 0.00 0.02 0.00 0.00 169 F 8.47 5.16 0.00 2.94 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.51 5.06 0.00 1.49 1.39 0.13 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 8.89 4.56 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.10 2.45 0.00 172 D 8.63 5.09 0.00 2.42 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 K 9.16 3.88 0.00 1.94 1.90 0.00 1.86 0.00 0.00 1.94 0.00 0.00 3.22 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.33 1.52 7.81 174 W 7.93 2.84 0.00 2.90 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 0.00 175 V 6.74 2.71 1.67 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 0.56 0.00 0.00 -0.69 0.00 0.00 176 I 7.24 4.15 1.95 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.65 0.73 0.00 0.00 177 A 7.29 4.46 1.79 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 0.00 178 G 8.72 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 0.00 0.00 0.00 0.00 179 D 8.58 4.42 0.00 2.62 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.86 5.13 0.00 1.78 1.79 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.99 4.56 1.71 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 0.00 0.00 182 G 9.36 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 0.00 0.00 0.00 183 S 7.97 4.40 0.00 3.87 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 0.00 184 G 9.10 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 0.00 0.00 0.00 185 N 8.57 4.23 0.00 2.84 2.99 0.00 0.00 5.81 7.71 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 0.00 186 T 7.57 4.17 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 187 T 7.40 3.39 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 188 N 7.97 5.29 0.00 2.68 2.74 0.00 0.00 7.07 8.60 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 0.00 189 I 8.94 2.84 1.51 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.69 -0.17 0.00 0.00 190 G 8.13 4.83 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 0.00 191 S 8.43 5.54 0.00 4.45 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 0.00 192 I 8.43 3.88 1.70 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.07 0.81 0.00 0.00 193 H 8.68 5.12 0.00 3.16 3.31 0.00 5.95 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 0.00 194 A 8.62 4.51 1.09 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 0.00 0.00 195 H 8.71 4.66 0.00 3.38 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.29 4.43 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.33 3.68 0.00 1.80 1.82 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.12 7.81 198 D 8.11 4.61 0.00 2.56 2.45 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 0.00 0.00 0.00 0.00 199 F 7.87 3.48 0.00 2.43 1.45 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 0.00 0.00 0.00 0.00 200 V 7.01 3.28 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 0.66 0.00 0.00 0.39 0.00 0.00 201 E 8.27 3.93 0.00 1.79 1.86 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 2.22 2.34 0.00 202 G 7.45 3.53 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 0.00 0.00 0.00 203 K 7.85 4.16 0.00 1.77 1.64 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.25 7.81 204 G 7.58 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 I 7.10 4.17 1.53 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.17 0.75 0.00 0.00 206 F 7.87 4.86 0.00 3.56 3.42 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 0.00 207 D 9.38 4.83 0.00 2.81 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 S 7.62 4.12 0.00 3.76 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 0.00 209 E 7.22 3.07 0.00 1.16 1.48 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 2.34 2.20 0.00 210 D 7.64 4.29 0.00 2.77 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 0.00 211 E 8.26 4.01 0.00 2.17 2.13 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 2.57 2.71 0.00 212 F 7.76 2.30 0.00 2.79 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 7.97 3.54 0.00 1.87 1.70 1.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 214 D 8.30 4.33 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 Y 7.85 3.39 0.00 2.29 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 W 7.50 3.77 0.00 2.95 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 0.00 217 R 7.71 4.17 0.00 2.11 2.02 0.00 3.46 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 218 N 7.41 4.88 0.00 2.71 2.67 0.00 0.00 6.94 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 Y 7.10 3.24 0.00 2.32 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 0.00 0.00 0.00 220 E 7.28 4.06 0.00 1.42 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 2.06 2.22 0.00 221 R 9.04 4.56 0.00 1.85 2.06 0.00 3.45 0.00 0.00 3.39 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 222 T 7.37 4.71 4.21 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 1.21 0.00 0.00 223 S 8.59 4.07 0.00 4.02 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 0.00 224 Q 7.92 3.93 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.09 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 225 L 7.40 4.28 0.00 1.69 1.60 0.86 0.79 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 0.00 226 R 7.81 3.97 0.00 1.55 1.48 0.00 2.21 0.00 0.00 2.40 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.32 0.00 227 N 7.76 4.64 0.00 2.84 2.77 0.00 0.00 6.71 9.14 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 0.00 228 D 7.67 5.20 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 K 8.03 4.69 0.00 1.34 0.89 0.00 1.42 0.00 0.00 0.95 0.00 0.00 2.22 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.09 7.81 230 Y 5.37 4.93 0.00 3.04 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 0.00 231 N 9.18 4.76 0.00 2.73 2.72 0.00 0.00 6.79 7.51 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 0.00 232 N 7.76 5.47 0.00 3.17 3.02 0.00 0.00 6.37 7.83 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 0.00 233 I 8.68 3.83 1.50 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 1.34 1.52 0.88 0.00 0.00 234 S 8.15 4.18 0.00 3.95 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 0.00 235 E 9.26 4.09 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 236 Y 8.22 3.55 0.00 2.47 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 0.00 237 R 8.52 3.77 0.00 2.11 2.02 0.00 3.28 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.05 0.00 238 N 8.16 4.36 0.00 2.88 3.06 0.00 0.00 6.75 7.98 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 0.00 239 W 8.49 4.19 0.00 3.52 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 0.00 240 I 7.77 3.25 1.84 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.77 0.78 0.00 0.00 241 Y 8.01 3.83 0.00 3.05 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 R 7.82 4.23 0.00 2.01 2.10 0.00 3.18 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 243 G 7.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 R 7.82 2.00 0.00 1.38 0.93 0.00 2.98 0.00 0.00 3.01 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 245 K 7.00 4.17 0.00 1.72 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 0.97 7.81 * Residues marked with a * may have inaccurate shift predictions.