NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3797 8.1733 120.0740 56.1751 35.0911 175.3476 3 T 4.8774 8.2470 115.4435 61.3353 73.1597 171.7128 4 I 4.8239 8.9046 125.9051 59.5708 41.6651 173.6674 5 C 5.5136 8.7218 127.5846 58.0702 32.6719 172.3885 6 V 5.0544 8.6917 125.4581 60.1173 34.3036 174.5163 7 F 5.1277 7.6217 119.9107 55.8488 41.2646 173.0303 8 A 4.8519 8.5628 123.1437 50.1832 22.8923 175.3378 9 G 3.7146 8.4957 106.1428 45.7245 0.0000 175.1231 10 S 4.3458 8.4872 114.9630 59.9009 63.3574 174.3729 11 N 4.9659 7.6661 116.5401 50.5954 40.5590 173.0976 12 P 4.2502 0.0000 0.0000 63.8666 31.9105 177.8987 13 G 4.0923 8.1548 102.6813 45.2597 0.0000 173.6111 14 G 3.7100 8.5226 107.2873 47.0562 0.0000 173.4851 15 N 4.7652 7.9447 118.5876 51.6762 40.8235 175.2617 16 E 3.8865 8.5298 124.2961 58.8520 29.5869 178.8744 17 A 3.8495 8.4138 121.6452 55.7912 18.1500 178.4458 18 Y 4.4957 6.3295 112.9065 61.6747 38.2318 178.6009 19 K 4.0199 8.1117 119.1142 59.8643 32.5452 178.4530 20 R 3.8910 7.7858 118.1675 59.8014 30.0025 178.5415 21 K 4.1692 9.0757 118.3812 58.5856 32.0611 179.3533 22 A 4.1076 8.1316 121.6884 55.2629 18.3871 179.5779 23 A 4.0072 8.0042 118.7518 54.8640 18.4523 179.3012 24 E 3.8795 8.1285 117.7725 59.4864 29.5782 178.6143 25 L 4.0088 7.6541 118.5905 58.1119 42.0978 178.9472 26 G 3.7042 7.6891 103.7950 47.9581 0.0000 175.5230 27 V 3.8512 8.0206 116.0243 64.0069 31.3938 179.4315 28 Y 4.2668 7.7963 116.7320 57.7582 39.1441 176.8573 *30 A 4.3107 8.0423 122.8053 51.8475 20.4999 178.7730 31 E 4.1837 8.0957 112.9850 56.7401 29.3770 177.1199 32 Q 4.1299 7.7056 117.0015 54.8212 30.8469 176.4962 33 G 3.9369 8.1800 103.9170 46.2477 0.0000 173.5313 34 I 4.1331 7.1215 120.2710 60.8773 37.4307 176.2233 35 G 4.0034 8.6598 114.8676 45.2434 0.0000 171.7577 36 L 5.1635 8.8685 123.2991 53.3623 44.5651 175.4546 37 V 5.1167 8.4348 124.9189 61.5544 34.8333 173.9109 38 Y 5.0368 8.7511 124.6364 56.2366 41.4460 175.4839 39 G 3.6749 8.9982 107.6243 46.5476 0.0000 174.2722 40 G 3.0946 6.1514 107.4482 45.7682 0.0000 173.8888 41 S 4.5448 7.8212 113.0088 57.4879 64.2320 173.6416 42 R 4.6322 8.5173 119.6031 56.1299 30.4180 175.5499 43 V 4.2444 7.7169 109.0548 60.6266 33.5755 177.7621 44 G 4.0917 8.3114 110.8111 44.3869 0.0000 173.7005 45 L 3.8557 7.4359 117.2677 54.6259 42.0646 179.8846 *47 G 3.8763 8.2250 108.4953 46.0890 0.0000 175.3875 48 T 3.7875 7.3870 116.9502 66.5657 68.4192 176.2125 49 I 3.5735 7.9181 119.8508 64.1199 37.7614 177.9306 50 A 3.7554 7.6221 119.9797 55.2606 18.4367 178.4886 51 D 4.4816 8.3174 116.0895 57.6336 41.0185 178.9808 52 A 4.1824 8.0006 119.9144 55.3255 18.8521 179.7749 53 I 3.5131 7.4965 115.1764 63.0401 37.3399 177.4271 *55 E 4.4391 7.9622 118.0292 56.0192 30.8570 175.5162 56 N 4.9367 7.7613 116.9867 52.9713 39.6720 175.8274 57 G 3.8872 8.6099 104.1128 45.9900 0.0000 174.7723 58 G 3.9058 7.4990 108.5869 44.9697 0.0000 172.8411 59 T 4.7746 8.1724 107.8675 59.7561 72.0782 173.3864 60 A 5.1156 8.9302 125.6149 50.8734 22.6274 174.9603 61 I 4.6747 9.3753 124.4438 60.5687 39.3884 175.4315 62 G 4.0914 8.5814 112.8435 44.3716 0.0000 172.2030 63 V 4.7707 8.2247 125.2406 60.3451 33.8611 172.9521 *65 P 4.5376 0.0000 0.0000 62.2910 32.4576 176.4113 66 S 4.2538 8.6991 118.5403 58.6284 64.0865 173.8636 67 G 4.0119 8.6521 110.8754 45.5596 0.0000 173.1679 68 L 4.7160 7.5514 119.2966 52.4893 43.3325 176.7460 69 F 4.2762 9.2410 122.4961 57.2113 39.7363 176.6432 70 S 4.2577 8.9561 118.2628 61.7387 62.3366 177.0165 71 G 3.6803 8.2043 107.8948 47.0078 0.0000 174.2774 72 E 4.5099 8.0116 118.9268 56.2883 29.7770 176.7698 73 V 4.2371 7.7606 119.4398 64.1651 33.8128 177.8975 74 V 3.7316 7.9066 117.6052 65.5610 31.5606 175.7377 75 H 4.8273 8.2326 115.3031 55.9567 28.6742 175.5668 76 Q 4.1678 7.9228 120.8724 55.9571 29.2915 173.7458 77 N 4.0830 8.1856 118.0724 53.4483 36.2751 172.4426 78 L 4.9967 7.8033 121.2217 52.6448 45.7957 176.8676 79 T 4.2800 8.4712 116.4300 65.8706 69.3661 174.9677 80 E 4.7479 7.7321 119.5319 55.0465 32.9692 173.6686 81 L 5.1392 8.5573 126.6556 53.3537 44.8673 175.8426 82 I 4.5129 8.2093 124.9135 59.6015 40.4876 174.6305 83 E 4.2951 8.7827 126.6860 56.4537 30.5237 176.5603 84 V 4.4918 8.0870 113.8230 60.4784 36.9884 173.4915 85 N 4.9946 9.3732 120.0024 54.5825 40.4008 174.6062 86 G 3.8785 8.2691 112.4654 44.7712 0.0000 173.6154 *88 H 4.7154 8.7679 118.9028 56.2440 31.7000 175.0363 89 E 3.8440 8.2178 118.1573 59.4060 29.0107 179.1204 90 R 3.8518 7.5371 116.8312 59.6802 30.2214 178.4317 91 K 4.0850 7.9400 115.8391 59.2280 32.2797 178.8322 92 A 4.0006 8.1276 121.4021 54.7509 18.2617 180.2917 93 K 4.1220 8.0941 115.4380 57.3743 31.9047 178.3491 *95 S 4.6955 8.0452 114.3779 57.8833 64.1775 175.3925 96 E 3.9255 8.3797 120.3376 59.2764 29.3322 177.4845 97 L 4.2246 7.9693 114.9786 55.0837 41.8758 176.3252 98 A 4.5588 7.2963 122.5232 50.6856 20.4863 176.7706 99 D 4.6257 8.3837 121.1123 54.8429 42.1726 176.4235 100 G 3.9120 6.9275 103.8841 45.5116 0.0000 172.1233 101 F 5.5305 9.0569 118.7875 55.5363 42.8742 174.7024 102 I 4.9022 8.6976 123.0140 59.5676 41.0982 174.5434 103 S 5.0728 9.0255 120.6617 54.7872 66.3406 170.5408 *105 P 3.5509 0.0000 0.0000 62.1064 32.6484 176.8138 106 G 4.0506 6.5252 108.4273 44.9063 0.0000 172.5294 107 G 4.0065 7.4362 105.9735 43.7984 0.0000 173.7809 108 F 4.8700 8.3375 117.8570 61.0226 38.9587 177.6221 109 G 3.7235 8.2436 104.5584 48.3431 0.0000 175.6766 110 T 3.9566 7.9146 118.2796 66.5054 68.5132 176.2782 111 Y 4.5935 8.4452 118.8807 60.8443 37.8528 178.2638 112 E 4.0358 8.4641 120.4866 59.4997 30.0251 178.4138 113 E 3.7429 8.0701 118.6087 59.2879 29.3576 179.3038 114 L 4.0524 8.0317 120.0497 58.4179 42.1869 179.1561 115 F 4.0372 8.7043 117.1206 59.7816 38.5563 177.3329 116 E 4.1134 8.1444 119.0042 58.8978 29.6709 178.4280 117 V 3.6337 7.6181 118.0122 66.1487 31.1016 177.9559 118 L 3.9634 7.8202 118.5305 58.1436 41.1747 179.2897 119 C 4.2530 7.8275 115.4572 61.3327 28.3731 174.8595 120 W 4.5868 8.4222 119.1211 56.3872 29.3994 177.2918 121 A 4.1142 7.4625 120.0095 55.4379 18.0481 179.3115 122 Q 4.4211 8.0043 114.0476 56.6259 29.4210 176.1960 123 I 4.4238 7.8868 118.1709 60.7147 39.7815 176.4445 124 G 3.9626 9.1048 111.1900 44.3996 0.0000 171.7151 125 I 4.4401 8.2848 115.8195 61.3109 40.2881 176.5605 126 H 4.7307 8.3290 117.0235 53.5113 27.0778 174.1870 127 Q 4.1419 7.9877 125.9850 57.0941 29.9737 175.4370 128 K 4.8376 8.3334 122.6491 53.6421 35.5380 174.3888 129 P 4.6964 0.0000 0.0000 63.0380 33.0073 175.0226 130 I 5.0122 9.0303 122.9568 59.6527 40.0511 174.5699 131 G 4.3100 9.7334 115.8522 44.3237 0.0000 171.9874 132 L 4.5036 9.0221 125.7180 53.0012 43.0011 175.8055 133 Y 5.0102 8.9384 128.1884 55.6155 36.5080 176.6033 134 N 4.9433 8.1711 129.7230 52.3942 38.4662 175.3041 135 V 3.6855 7.6128 118.7315 64.2805 32.2897 175.1494 136 N 3.9272 9.5704 122.8368 53.8627 36.1748 174.1899 137 G 4.0024 8.2934 104.9090 46.5961 0.0000 176.0433 138 Y 3.9098 8.1357 122.4545 60.5720 38.5688 177.5238 139 F 4.6334 8.0940 114.1281 58.0994 39.2480 176.3686 140 E 4.1927 8.2446 121.8675 59.2095 29.3824 176.7463 141 P 4.4593 0.0000 0.0000 62.9044 29.1014 175.8203 *144 K 4.0338 7.9660 120.0542 56.0826 34.3373 177.3549 *146 V 4.1621 7.7586 117.8941 62.5463 33.0621 177.6986 147 K 4.0262 7.9813 118.4170 59.6606 31.6677 178.7938 148 Y 4.1856 8.0183 116.9627 61.0765 37.7640 178.4391 149 S 4.3982 8.1928 115.9385 61.5991 62.8231 176.8723 150 I 4.2531 7.7141 123.3202 64.0739 36.8004 177.8414 151 Q 3.9926 8.1053 119.1533 59.2801 28.9370 177.6726 152 E 4.3802 8.5726 116.5731 55.8805 29.7448 176.9954 153 G 3.7729 8.0124 107.3903 46.4069 0.0000 174.8494 154 F 4.6182 8.6111 120.2570 57.8003 40.1380 176.6217 155 S 4.8136 7.7945 115.8359 56.2024 66.3076 172.6868 156 N 4.7525 8.6405 122.8721 53.2368 39.3900 175.5963 157 E 4.1229 8.7720 126.0420 58.5971 30.3200 177.8990 158 S 4.2278 7.8214 113.3355 61.5718 63.0409 175.6909 159 H 4.3766 8.0585 115.3859 56.2048 27.9642 175.6851 160 L 4.5715 7.8770 122.1918 55.3904 43.5433 178.7001 161 K 3.7990 8.1732 118.6256 59.0686 32.1652 177.0247 162 L 4.3824 7.8354 116.5165 55.2198 42.2406 175.8118 163 I 4.7830 7.5109 120.4610 60.7099 38.4335 175.0362 164 H 5.1404 9.1774 121.8702 54.4322 33.5323 172.5604 165 S 5.1368 8.2932 114.4279 57.3404 65.7436 173.0422 166 S 4.7526 8.7513 114.4974 58.1550 65.8737 176.2363 167 S 4.2994 9.0134 118.4091 58.7589 64.0239 174.5990 168 R 4.4885 7.7673 122.1349 54.1011 31.4386 174.6487 169 P 4.1195 0.0000 0.0000 65.8625 31.0755 178.3906 170 D 3.8022 7.3541 116.9379 56.1253 39.0116 178.0496 171 E 3.9358 7.8894 120.3258 58.6971 29.5685 178.1453 172 L 3.8919 7.6563 119.4186 58.4323 42.3732 178.7316 173 I 3.8023 7.4645 118.3250 64.1933 37.0180 177.8552 174 E 4.1056 7.6396 119.0250 59.1908 29.7629 181.5098 175 Q 4.0539 7.6845 118.2396 54.5000 29.3620 176.6693 *177 Q 4.1408 7.7116 117.7504 55.7702 30.0970 174.7886 178 N 4.9504 8.4092 118.2565 51.1657 40.1837 173.6100 179 Y 4.1585 8.5924 121.9348 58.3428 39.3192 175.6343 180 S 4.4474 6.9784 119.8703 56.7616 66.1306 174.1252 181 Y 4.1439 8.2662 121.0146 60.5152 38.0209 174.7202 182 P 4.3539 0.0000 0.0000 62.0112 32.0457 176.3381 183 I 3.8550 7.9366 111.0439 62.0886 37.5207 175.8583 184 L 3.9298 8.5092 121.4918 56.2097 42.8664 174.8989 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 K 8.17 4.38 0.00 1.88 1.87 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.38 7.81 3 T 8.25 4.88 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 4 I 8.90 4.82 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.73 0.86 0.00 0.00 5 C 8.72 5.51 0.00 3.08 3.11 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 6 V 8.69 5.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.79 0.00 0.00 7 F 7.62 5.13 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.56 4.85 1.24 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 9 G 8.50 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 10 S 8.49 4.35 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 7.67 4.97 0.00 2.63 2.70 0.00 0.00 6.96 8.02 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 12 P 0.00 4.25 0.00 2.20 2.19 0.00 3.77 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 2.00 1.97 0.00 13 G 8.15 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 14 G 8.52 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 15 N 7.94 4.77 0.00 2.49 1.74 0.00 0.00 6.87 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.53 3.89 0.00 1.99 1.85 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 2.34 2.28 0.00 17 A 8.41 3.85 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 18 Y 6.33 4.50 0.00 2.98 2.82 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 19 K 8.11 4.02 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.54 7.81 20 R 7.79 3.89 0.00 2.15 2.04 0.00 3.13 0.00 0.00 3.55 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 21 K 9.08 4.17 0.00 1.93 1.79 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.44 7.81 22 A 8.13 4.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.00 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.13 3.88 0.00 2.15 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 2.36 2.36 0.00 25 L 7.65 4.01 0.00 1.23 1.70 0.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.69 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 0.00 0.00 0.00 27 V 8.02 3.85 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 0.77 0.00 0.00 1.06 0.00 0.00 28 Y 7.80 4.27 0.00 2.93 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 *30 A 8.04 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.10 4.18 0.00 1.78 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 2.29 2.38 0.00 32 Q 7.71 4.13 0.00 1.80 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.71 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 33 G 8.18 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 0.00 0.00 0.00 34 I 7.12 4.13 1.80 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 1.10 0.66 0.86 0.00 0.00 35 G 8.66 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 36 L 8.87 5.16 0.00 1.66 1.51 0.81 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.43 5.12 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 1.01 0.00 0.00 0.95 0.00 0.00 38 Y 8.75 5.04 0.00 3.16 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 39 G 9.00 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 0.00 0.00 0.00 40 G 6.15 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 0.00 0.00 0.00 41 S 7.82 4.54 0.00 4.06 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 42 R 8.52 4.63 0.00 1.98 1.96 0.00 3.53 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 43 V 7.72 4.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 44 G 8.31 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 45 L 7.44 3.86 0.00 1.77 1.72 0.82 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *47 G 8.22 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.39 3.79 4.41 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 1.30 0.00 0.00 49 I 7.92 3.57 1.80 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 1.31 1.26 0.78 0.00 0.00 50 A 7.62 3.76 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.96 4.26 0.00 4.08 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 0.00 71 G 8.20 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 0.00 0.00 0.00 72 E 8.01 4.51 0.00 2.10 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 2.35 2.40 0.00 73 V 7.76 4.24 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 0.97 0.00 0.00 1.01 0.00 0.00 74 V 7.91 3.73 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.02 0.00 0.00 75 H 8.23 4.83 0.00 3.14 3.33 0.00 5.93 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.92 4.17 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.41 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 77 N 8.19 4.08 0.00 2.84 2.86 0.00 0.00 6.74 7.78 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 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0.00 0.00 0.00 1.32 0.96 0.90 0.00 0.00 131 G 9.73 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 0.00 0.00 0.00 0.00 132 L 9.02 4.50 0.00 1.54 1.18 0.76 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.94 5.01 0.00 2.80 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 0.00 134 N 8.17 4.94 0.00 3.04 2.85 0.00 0.00 6.69 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 0.00 135 V 7.61 3.69 2.17 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 0.90 0.00 0.00 0.39 0.00 0.00 136 N 9.57 3.93 0.00 2.91 2.99 0.00 0.00 7.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.29 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 0.00 138 Y 8.14 3.91 0.00 3.00 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 0.00 139 F 8.09 4.63 0.00 3.43 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 0.00 140 E 8.24 4.19 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 141 P 0.00 4.46 0.00 1.97 2.01 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 *144 K 7.97 4.03 0.00 2.07 2.06 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.69 7.81 *146 V 7.76 4.16 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 0.99 0.00 0.00 1.07 0.00 0.00 147 K 7.98 4.03 0.00 1.71 1.70 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.52 7.81 148 Y 8.02 4.19 0.00 3.11 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 0.00 149 S 8.19 4.40 0.00 4.22 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 0.00 150 I 7.71 4.25 2.10 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 1.69 1.92 0.93 0.00 0.00 151 Q 8.11 3.99 0.00 2.20 2.43 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 2.43 2.44 0.00 152 E 8.57 4.38 0.00 2.19 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 2.67 2.63 0.00 153 G 8.01 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.61 4.62 0.00 3.18 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 0.00 155 S 7.79 4.81 0.00 3.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.64 4.75 0.00 2.82 2.77 0.00 0.00 6.83 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.77 4.12 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 158 S 7.82 4.23 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 H 8.06 4.38 0.00 3.38 3.35 0.00 5.61 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.88 4.57 0.00 1.81 1.65 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.17 3.80 0.00 1.71 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 162 L 7.84 4.38 0.00 1.78 1.73 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.51 4.78 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.85 0.00 0.00 164 H 9.18 5.14 0.00 3.01 3.13 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.29 5.14 0.00 3.89 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 0.00 166 S 8.75 4.75 0.00 3.94 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 0.00 167 S 9.01 4.30 0.00 3.89 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.77 4.49 0.00 1.89 2.01 0.00 3.23 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 169 P 0.00 4.12 0.00 1.72 1.94 0.00 3.57 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 170 D 7.35 3.80 0.00 2.73 2.29 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 0.00 171 E 7.89 3.94 0.00 2.03 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 2.38 2.35 0.00 172 L 7.66 3.89 0.00 1.89 1.65 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.46 3.80 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.97 0.00 0.00 174 E 7.64 4.11 0.00 2.26 1.96 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 2.35 2.50 0.00 175 Q 7.68 4.05 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.17 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 *177 Q 7.71 4.14 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.66 0.00 0.00 0.00 0.00 0.00 2.61 2.31 0.00 178 N 8.41 4.95 0.00 2.77 2.74 0.00 0.00 6.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 Y 8.59 4.16 0.00 2.80 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 0.00 180 S 6.98 4.45 0.00 3.53 3.49 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 0.00 181 Y 8.27 4.14 0.00 2.96 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 0.00 182 P 0.00 4.35 0.00 2.02 2.05 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 183 I 7.94 3.86 1.88 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 1.30 0.53 0.93 0.00 0.00 184 L 8.51 3.93 0.00 1.78 1.64 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.