NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8600 8.2676 118.1424 52.9563 40.4230 175.1753 3 S 4.7071 8.8893 118.0313 59.4199 62.7465 173.4487 4 E 4.3124 8.4727 120.0923 58.7098 30.2138 179.6847 5 K 4.1761 7.9663 120.5165 59.0295 32.6394 178.1233 6 F 4.1312 8.5627 121.2498 61.5568 39.2994 177.1906 7 F 4.5733 8.2080 116.4673 60.1293 38.4857 177.6454 8 K 4.1841 7.8074 117.2040 58.6929 31.8780 178.8195 9 L 3.8081 7.0822 118.0916 55.4939 41.5245 176.7943 10 F 5.3104 6.8462 116.4675 55.3310 42.4245 174.4663 11 R 4.7589 8.3138 118.4669 53.6918 31.9817 175.4474 12 V 3.7169 8.3041 118.8031 65.1566 31.9333 176.2631 13 G 4.3245 9.1117 115.1574 44.5878 0.0000 173.4174 14 E 4.4210 7.9766 119.1827 56.6084 30.9679 176.2872 15 T 4.8413 8.5505 118.1571 62.0024 71.8572 173.1013 16 V 4.4108 8.8839 128.4610 60.9488 33.7915 174.1700 17 L 4.7814 8.7513 130.8420 54.1501 43.5299 175.3526 18 V 4.6517 9.2360 128.4113 61.4667 32.6537 173.8815 19 E 5.0522 9.2641 129.2753 55.6621 31.2545 175.5346 20 Y 5.4815 8.5194 121.5272 55.8550 42.7123 173.1234 21 S 4.8485 9.1154 113.3612 56.1437 66.4966 175.4461 22 G 3.7490 8.9858 108.4156 48.5307 0.0000 174.4541 23 T 4.3518 7.4466 107.3120 61.8792 69.3008 175.9745 24 S 4.1684 8.0736 119.0369 59.7221 63.7686 174.2643 25 R 3.7783 8.3038 117.4222 55.8826 27.1951 177.3591 26 A 4.0160 7.4128 120.0252 54.7905 18.2292 178.9528 27 E 3.8477 7.5453 115.8288 59.3435 29.4044 179.2505 28 L 3.7718 7.7692 120.1862 57.5092 41.5809 179.1435 29 L 3.9702 7.8495 119.9114 57.8559 42.0846 178.4756 30 L 3.9516 7.9689 119.9608 58.3483 42.0148 178.3107 31 Y 3.9259 8.2825 119.6625 60.7483 38.7665 177.3723 32 Y 4.0150 8.2002 120.3969 60.8958 38.7916 178.2980 33 I 3.8878 8.1068 120.7825 64.3652 36.9776 178.7030 34 V 3.5324 7.7254 118.2777 65.9766 31.5089 177.3266 35 N 4.2976 8.1373 115.3503 55.2025 38.8725 175.4876 36 N 4.7643 7.5275 115.0088 52.0150 40.1801 174.8972 37 S 3.9312 7.4451 116.1162 58.2878 62.8353 173.8966 38 K 4.2683 8.3056 125.3440 56.4910 32.6115 176.3444 39 L 4.5414 6.9675 119.1538 52.1869 43.6870 174.4007 40 P 4.4537 0.0000 0.0000 62.9524 32.9909 175.4239 41 I 4.8879 8.2007 122.4542 59.6353 39.9982 174.7503 42 V 4.4122 8.6817 126.5518 61.1750 34.2288 174.0795 43 V 4.4554 8.6596 129.4154 61.6662 33.4275 174.4411 44 D 5.0058 8.8267 128.5398 53.2317 41.9778 175.3861 45 D 4.8957 8.8733 125.9891 52.8638 42.0654 174.9590 46 I 4.2314 8.3986 128.2330 59.9745 38.4934 176.5709 47 L 3.6316 8.9576 128.8348 57.0870 39.1554 173.8148 48 D 4.5657 7.8484 109.6695 55.5687 38.9334 177.0528 49 T 4.5411 7.7408 118.6072 65.9673 67.9392 175.8977 50 Y 4.2518 8.6980 122.1481 60.8820 38.7908 177.1257 51 Y 3.9948 8.2358 120.0063 60.8037 38.3350 178.0201 52 E 3.9403 8.1685 118.0517 59.3458 29.6363 179.2567 53 F 3.9673 8.4523 117.5233 60.6858 38.9305 176.9451 54 Y 3.9417 8.3247 119.4672 61.1619 38.5185 178.4693 55 T 3.5839 7.8923 116.5706 66.5231 68.4446 177.0022 56 R 3.8381 7.8765 120.0323 59.0981 30.0455 179.1436 57 L 3.8272 7.8074 118.8615 57.3607 41.4955 179.3317 58 K 3.6596 7.8763 119.8983 59.6007 31.8894 179.0236 59 V 3.5000 7.5097 116.6756 65.7415 31.5041 177.1857 60 A 4.2071 7.6340 118.4053 52.9002 18.2936 178.1435 61 G 3.7424 7.9223 105.8766 45.0041 0.0000 174.0852 62 F 3.9001 7.6667 117.8727 56.6264 39.4353 174.8372 63 D 4.5332 8.5958 123.5390 54.3563 41.1534 176.1567 64 V 4.4764 8.3309 119.2053 61.4490 32.1214 177.8518 65 A 4.2739 8.4815 125.6893 55.0207 18.2623 178.8458 66 P 4.2417 0.0000 0.0000 65.6374 31.2894 178.8104 67 L 4.4296 7.7763 119.2708 57.1279 41.6448 178.9276 68 E 4.0633 8.2489 117.9411 58.2280 29.2925 177.8969 69 N 4.6202 7.6088 114.6540 54.0605 39.5833 175.2270 70 V 4.0011 6.8444 113.1830 61.3943 33.5174 175.0780 71 Q 4.7666 8.4327 121.2207 55.2440 30.3935 175.3338 72 V 4.8033 8.9160 123.2181 61.0827 35.2602 174.1781 73 I 4.7652 8.7201 128.4488 59.9467 39.2877 175.3493 74 K 5.0592 8.3082 129.8042 54.7291 35.2222 175.2316 *76 G 3.7504 8.3152 108.9452 46.6722 0.0000 173.0714 77 G 4.0647 9.0755 105.3977 45.8461 0.0000 173.4877 78 T 4.4840 9.5176 105.1057 60.7180 70.3557 173.8713 79 K 4.2208 8.9119 122.8568 54.8265 32.7087 175.5047 80 D 4.6643 8.4729 124.9243 53.4676 41.4299 176.3576 81 I 4.2797 8.1176 124.4271 60.5106 40.6771 176.3262 82 G 4.2160 8.7197 112.4754 44.8338 0.0000 172.8022 83 R 4.3504 8.2506 118.6314 54.5835 30.4377 175.9258 84 V 4.3594 8.2635 124.6329 62.9173 31.7018 175.4166 85 I 4.3404 8.7398 121.6950 60.8010 38.7324 175.7046 86 G 4.1723 7.4717 107.9400 45.6821 0.0000 172.8071 87 R 5.1858 8.5710 120.3726 54.3971 33.1958 174.7289 88 L 4.8294 9.4265 124.9991 53.1282 44.4188 175.8573 89 N 4.9271 8.5938 117.6289 52.0718 40.4552 176.1420 90 I 4.3906 7.8342 122.7163 59.3521 36.2973 173.4979 91 S 4.3969 7.9942 119.1596 57.8415 63.9906 174.8261 92 K 3.7778 8.5333 125.2457 58.7734 29.4731 174.8774 93 Y 3.7951 7.4239 110.6859 58.1269 35.6139 170.2797 94 V 4.3842 7.0977 116.3393 61.2128 34.9385 172.1067 95 I 4.6757 7.8868 112.6418 58.2822 40.6015 175.4806 96 S 4.3224 8.4194 116.0483 58.1103 63.2530 174.8264 97 E 4.2581 8.8464 129.5965 58.9962 29.6065 178.5101 98 Q 4.1878 7.9802 117.3830 59.0072 29.1929 177.5097 99 E 4.1712 8.0531 120.4560 59.0360 29.5697 178.1985 100 Y 4.1775 7.8137 116.5071 58.3684 38.3706 176.8281 *102 E 4.2325 8.1161 120.7338 55.6917 31.7893 177.0151 103 I 3.8803 7.3094 119.4728 64.2020 37.2392 178.0736 104 V 3.7906 7.4944 111.8123 62.4206 31.2912 177.7170 105 S 4.4325 7.7685 114.2873 59.6132 63.3940 174.5870 106 Q 4.3120 7.7087 118.2694 56.1553 28.7101 175.2687 107 L 4.5387 7.2125 117.6828 53.3636 43.3540 176.2531 108 K 4.2592 8.0794 120.4308 57.5970 34.4961 176.6326 109 D 4.4755 7.5781 118.1229 53.9249 39.0450 174.1181 110 Y 4.8909 7.7618 121.0449 54.8493 40.7514 173.9481 111 P 5.1424 0.0000 0.0000 62.6839 33.4648 175.0574 112 V 4.7007 8.6543 111.4366 59.8757 36.6673 174.7686 113 I 4.6405 8.4322 123.4296 60.4786 38.8814 174.6621 114 N 6.0705 9.0524 126.5848 50.2181 39.7172 170.2453 115 P 5.0771 0.0000 0.0000 61.8614 33.3245 174.9202 116 V 4.4760 9.0271 124.9037 61.1267 33.6212 174.1021 117 L 4.8725 8.7693 128.2308 54.0143 44.4875 177.7536 118 G 3.8579 8.4758 106.9836 46.7798 0.0000 174.8929 119 L 3.9983 8.1643 122.7593 58.4077 41.9306 178.5007 120 H 4.2118 8.3457 114.4706 58.7596 28.1166 177.5387 121 K 3.9647 7.7165 121.0946 59.1896 31.6337 179.2323 122 L 4.0134 7.7721 117.6832 57.8649 42.0527 179.1871 123 I 3.8146 7.6789 119.6528 64.3540 36.8578 178.1910 124 L 3.5032 7.9415 120.2016 58.0248 41.8772 178.6555 125 L 3.9471 7.4722 117.5073 55.3840 41.7735 177.0464 126 G 3.8345 6.9402 106.9640 44.0426 0.0000 172.5504 127 N 4.8739 9.3417 118.0043 51.6970 40.7233 175.6423 128 T 3.9030 8.3721 115.6748 67.0410 68.2979 176.3475 129 F 4.1937 8.3409 121.9780 61.4188 39.5093 176.9344 130 E 3.9700 9.2157 118.7208 59.3428 29.2052 178.9838 131 N 4.3434 8.7122 117.0121 56.4446 38.5322 177.4674 132 I 3.6318 7.8968 121.2175 64.4727 36.9104 178.2905 133 N 4.2070 7.4080 116.6507 55.9256 38.3362 177.4231 134 V 3.7090 7.4123 119.1521 66.0226 31.9318 177.9554 135 V 3.6966 7.9477 118.2204 65.5090 31.3930 178.8223 136 K 4.4309 8.1406 121.2909 55.6891 31.8224 178.7665 *138 V 4.0812 7.8462 118.8603 62.4445 32.7720 177.3835 139 S 4.1330 8.0451 114.0246 60.8579 63.0908 175.9500 140 N 4.2415 7.8920 117.8641 55.3279 38.4324 175.1789 141 Y 4.6545 7.3302 114.4101 57.4752 39.1225 175.8193 142 V 3.8832 6.6239 119.5150 63.8289 31.8059 175.8816 143 G 3.9739 9.1999 116.9077 45.1286 0.0000 173.6089 144 R 3.9784 7.9131 117.2127 56.1391 29.6135 177.3161 145 E 4.1987 8.7563 122.7976 57.6115 29.8114 178.1291 146 E 3.9296 7.9282 117.1958 57.2736 30.0566 175.7457 147 R 5.2824 7.0909 114.6466 56.8773 33.6584 173.4082 148 I 4.7908 8.1592 119.1127 59.4791 40.1765 174.5653 149 A 4.9801 8.5781 129.2029 50.3423 21.5865 175.7175 150 F 4.8008 8.8871 120.6239 56.0337 41.6493 174.5372 151 Y 4.9340 9.5364 124.0619 56.8218 38.3210 175.2516 152 F 5.0950 9.4298 125.2422 56.9799 40.4370 175.6415 153 V 4.7801 9.2094 117.4972 59.4384 35.7717 175.2642 154 N 3.8333 8.1060 123.0385 52.1992 37.9483 175.0611 155 R 3.8627 8.3521 126.3856 59.7210 30.1055 177.5927 156 N 4.2688 8.1110 115.2621 56.2217 38.4003 177.2218 157 V 3.5748 7.6713 119.3716 66.2040 31.5775 178.2624 158 I 3.7417 7.4084 119.1887 64.3942 36.7700 178.0407 159 E 3.9680 8.2446 119.2699 59.2754 29.5074 178.6910 160 K 4.1547 8.0700 117.4909 58.8923 32.2073 178.7230 161 H 4.6436 7.6876 118.2878 57.6967 30.5371 176.0412 162 S 4.3126 8.4591 121.6518 55.6715 63.5179 173.8644 163 S 4.1095 8.6515 122.7259 60.7504 62.1522 173.8195 164 P 4.2709 0.0000 0.0000 65.5961 31.1028 178.5891 165 I 3.7216 7.5198 118.6035 64.1772 36.9868 178.2425 166 L 3.9366 7.7391 121.3544 58.1979 41.9231 178.5853 167 D 4.3668 8.0292 117.4624 56.9299 41.0933 178.3256 168 L 3.9510 7.8279 119.8885 57.5905 41.5117 179.0902 169 L 3.8913 7.9231 118.9257 58.1322 41.4023 179.6505 170 E 3.9402 7.9861 116.7419 59.1237 29.3556 178.8532 171 E 4.0514 7.6472 118.5137 59.3687 29.8657 179.0014 172 V 3.7725 7.6011 110.7803 62.7032 31.8413 177.1257 173 V 4.0040 6.7178 111.8444 60.9163 32.3997 175.8629 174 T 4.3775 8.0601 111.0698 63.2599 69.6914 175.2760 175 S 5.0481 7.8716 116.3495 56.7810 67.9897 173.2032 176 I 4.9014 8.8190 122.3259 59.7951 41.1456 174.2566 177 L 5.3365 9.3155 127.0190 52.8625 45.2077 175.1419 178 E 5.1029 9.1280 123.2631 54.4297 32.6451 174.5672 179 I 4.4438 8.7247 129.1912 61.2035 37.8453 175.5649 180 T 4.7724 8.7406 116.6400 59.4183 72.0749 173.7718 181 D 4.5118 8.7781 121.1497 57.5076 40.8241 178.6705 182 S 4.2682 8.1413 112.2345 58.8178 63.9037 174.7019 183 G 3.7637 6.3964 107.0853 45.8700 0.0000 169.8385 184 I 4.8161 7.8879 122.3806 59.7835 39.1749 175.3667 185 I 4.3794 8.6613 129.1269 61.0417 38.7375 175.6981 186 I 4.5063 8.8160 128.8715 60.3984 36.2207 176.5412 187 K 4.3103 8.8142 127.6482 58.7117 32.8304 177.4480 188 K 4.7115 7.8532 119.3407 55.3242 35.7685 175.0734 189 S 4.9830 8.2008 117.4536 57.9286 65.1498 174.6787 190 I 3.7499 8.3735 126.0020 64.0560 37.2306 176.5771 191 K 4.2146 7.9594 120.4835 55.4457 30.7304 177.3373 192 D 4.5278 8.6769 125.1024 56.2836 41.1386 178.0985 193 E 4.2496 7.8372 116.4883 58.5896 30.3728 178.0350 194 I 3.8150 7.6497 119.0005 62.5177 37.6075 175.7107 195 A 4.2069 7.8879 123.1127 54.0746 18.3288 177.7075 196 G 4.0419 9.3218 111.5964 45.1910 0.0000 174.2047 197 K 4.3280 8.0315 119.4318 56.3445 33.4655 176.0267 198 I 5.0494 8.2576 122.9478 59.7372 39.7876 175.4079 199 V 4.4945 8.8629 118.8918 59.5487 35.7456 174.9553 200 S 4.8418 8.1424 117.6576 56.0812 62.2336 173.0629 201 P 4.1179 0.0000 0.0000 64.9282 31.6552 178.3311 202 L 4.1467 7.3213 116.8151 54.7786 42.1904 176.4157 203 L 4.1449 7.4013 124.6528 55.8946 40.3530 176.7720 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 N 8.27 4.86 0.00 2.93 2.89 0.00 0.00 6.76 6.68 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 3 S 8.89 4.71 0.00 4.09 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 4 E 8.47 4.31 0.00 2.23 2.24 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 2.34 2.51 0.00 5 K 7.97 4.18 0.00 1.92 1.96 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.47 7.81 6 F 8.56 4.13 0.00 3.14 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 7 F 8.21 4.57 0.00 3.31 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 8 K 7.81 4.18 0.00 1.97 1.86 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.89 1.66 7.81 9 L 7.08 3.81 0.00 0.27 0.79 0.64 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 10 F 6.85 5.31 0.00 3.11 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 11 R 8.31 4.76 0.00 1.93 2.02 0.00 2.81 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 12 V 8.30 3.72 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 0.81 0.00 0.00 0.95 0.00 0.00 13 G 9.11 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.98 4.42 0.00 2.03 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 2.34 2.48 0.00 15 T 8.55 4.84 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 16 V 8.88 4.41 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 0.77 0.00 0.00 -0.02 0.00 0.00 17 L 8.75 4.78 0.00 1.77 1.52 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 V 9.24 4.65 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 0.59 0.00 0.00 0.79 0.00 0.00 19 E 9.26 5.05 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 20 Y 8.52 5.48 0.00 3.10 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.12 4.85 0.00 3.90 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 22 G 8.99 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.45 4.35 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 24 S 8.07 4.17 0.00 4.17 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.30 3.78 0.00 1.95 1.86 0.00 3.39 0.00 0.00 3.27 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 26 A 7.41 4.02 0.65 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.55 3.85 0.00 1.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 28 L 7.77 3.77 0.00 1.66 1.71 0.92 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.85 3.97 0.00 1.75 2.03 0.54 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.97 3.95 0.00 1.32 1.88 0.60 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.28 3.93 0.00 2.97 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 32 Y 8.20 4.02 0.00 3.21 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 33 I 8.11 3.89 2.07 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 1.01 0.00 0.00 34 V 7.73 3.53 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 0.73 0.00 0.00 0.98 0.00 0.00 35 N 8.14 4.30 0.00 1.92 2.48 0.00 0.00 7.15 7.76 0.00 0.00 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 N 7.53 4.76 0.00 2.49 2.69 0.00 0.00 6.92 7.34 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 37 S 7.45 3.93 0.00 3.91 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 38 K 8.31 4.27 0.00 1.69 1.78 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.48 7.81 39 L 6.97 4.54 0.00 1.46 1.54 0.86 1.15 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 40 P 0.00 4.45 0.00 1.99 1.89 0.00 3.69 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 2.18 2.06 0.00 41 I 8.20 4.89 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.49 0.85 0.00 0.00 42 V 8.68 4.41 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 0.89 0.00 0.00 0.87 0.00 0.00 43 V 8.66 4.46 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 0.42 0.00 0.00 0.48 0.00 0.00 44 D 8.83 5.01 0.00 2.45 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 45 D 8.87 4.90 0.00 2.72 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0.00 1.03 0.73 1.23 0.00 0.00 114 N 9.05 6.07 0.00 2.77 2.67 0.00 0.00 7.09 7.64 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 0.00 115 P 0.00 5.08 0.00 1.93 1.94 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 116 V 9.03 4.48 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 0.73 0.00 0.00 0.23 0.00 0.00 117 L 8.77 4.87 0.00 1.41 1.13 0.40 -0.05 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 0.00 118 G 8.48 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 0.00 0.00 0.00 119 L 8.16 4.00 0.00 1.98 1.85 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.35 4.21 0.00 3.39 3.55 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.72 3.96 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.35 7.81 122 L 7.77 4.01 0.00 1.88 1.77 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.68 3.81 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 1.41 1.05 0.94 0.00 0.00 124 L 7.94 3.50 0.00 1.59 1.82 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.47 3.95 0.00 1.29 0.48 1.01 1.28 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 0.00 126 G 6.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 9.34 4.87 0.00 3.02 3.06 0.00 0.00 7.43 7.86 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 0.00 128 T 8.37 3.90 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 129 F 8.34 4.19 0.00 3.11 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 9.22 3.97 0.00 2.25 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 2.53 2.77 0.00 131 N 8.71 4.34 0.00 2.91 2.87 0.00 0.00 7.02 7.27 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 0.00 132 I 7.90 3.63 1.86 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 1.48 0.88 0.79 0.00 0.00 133 N 7.41 4.21 0.00 2.66 2.76 0.00 0.00 7.00 7.53 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 0.00 134 V 7.41 3.71 2.27 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 0.81 0.00 0.00 0.98 0.00 0.00 135 V 7.95 3.70 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 0.94 0.00 0.00 0.95 0.00 0.00 136 K 8.14 4.43 0.00 1.80 1.83 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.21 7.81 *138 V 7.85 4.08 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 0.44 0.00 0.00 0.72 0.00 0.00 139 S 8.05 4.13 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 7.89 4.24 0.00 2.18 2.41 0.00 0.00 6.89 6.86 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 0.00 141 Y 7.33 4.65 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 6.62 3.88 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 0.95 0.00 0.00 1.04 0.00 0.00 143 G 9.20 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.91 3.98 0.00 2.30 2.18 0.00 3.06 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.63 0.00 145 E 8.76 4.20 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 146 E 7.93 3.93 0.00 1.31 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 147 R 7.09 5.28 0.00 2.19 2.08 0.00 3.14 0.00 0.00 3.45 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 148 I 8.16 4.79 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.54 0.00 0.00 149 A 8.58 4.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.89 4.80 0.00 3.18 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 0.00 151 Y 9.54 4.93 0.00 2.91 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 0.00 152 F 9.43 5.09 0.00 3.12 3.45 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 0.00 153 V 9.21 4.78 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 0.97 0.00 0.00 0.94 0.00 0.00 154 N 8.11 3.83 0.00 2.12 2.22 0.00 0.00 6.78 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 0.00 155 R 8.35 3.86 0.00 1.86 1.86 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 156 N 8.11 4.27 0.00 2.86 2.83 0.00 0.00 6.67 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 0.00 157 V 7.67 3.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 158 I 7.41 3.74 1.86 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 1.43 0.46 0.92 0.00 0.00 159 E 8.24 3.97 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 2.32 2.35 0.00 160 K 8.07 4.15 0.00 1.83 1.86 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.54 7.81 161 H 7.69 4.64 0.00 3.11 3.50 0.00 5.93 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 0.00 162 S 8.46 4.31 0.00 3.70 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 0.00 163 S 8.65 4.11 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.27 0.00 2.18 2.07 0.00 3.57 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 2.10 2.16 0.00 165 I 7.52 3.72 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.15 0.90 0.00 0.00 166 L 7.74 3.94 0.00 1.69 1.80 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.03 4.37 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 7.83 3.95 0.00 1.89 1.65 0.90 0.61 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 0.00 169 L 7.92 3.89 0.00 1.93 1.66 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 170 E 7.99 3.94 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 171 E 7.65 4.05 0.00 2.02 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 2.29 2.32 0.00 172 V 7.60 3.77 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 0.80 0.00 0.00 0.92 0.00 0.00 173 V 6.72 4.00 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 0.59 0.00 0.00 1.01 0.00 0.00 174 T 8.06 4.38 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 1.20 0.00 0.00 175 S 7.87 5.05 0.00 3.80 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 0.00 176 I 8.82 4.90 1.90 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 1.22 0.76 0.93 0.00 0.00 177 L 9.32 5.34 0.00 1.60 1.64 1.33 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 178 E 9.13 5.10 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 179 I 8.72 4.44 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.93 0.00 0.00 180 T 8.74 4.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 181 D 8.78 4.51 0.00 2.69 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 0.00 182 S 8.14 4.27 0.00 3.97 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 0.00 183 G 6.40 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 4.82 2.00 0.00 0.00 0.76 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 0.68 1.00 0.00 0.00 185 I 8.66 4.38 1.90 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 1.24 0.86 0.98 0.00 0.00 186 I 8.82 4.51 1.90 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 1.31 0.66 0.95 0.00 0.00 187 K 8.81 4.31 0.00 1.69 1.89 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.41 7.81 188 K 7.85 4.71 0.00 1.79 1.59 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.44 7.81 189 S 8.20 4.98 0.00 3.86 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 0.00 190 I 8.37 3.75 1.89 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 1.43 0.68 0.92 0.00 0.00 191 K 7.96 4.21 0.00 1.83 1.76 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.38 7.81 192 D 8.68 4.53 0.00 2.64 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 0.00 193 E 7.84 4.25 0.00 2.06 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 2.26 2.26 0.00 194 I 7.65 3.81 1.85 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 1.32 0.55 0.89 0.00 0.00 195 A 7.89 4.21 1.25 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 0.00 196 G 9.32 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.03 4.33 0.00 1.79 1.74 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.56 7.81 198 I 8.26 5.05 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 1.36 0.61 0.96 0.00 0.00 199 V 8.86 4.49 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 0.73 0.00 0.00 1.08 0.00 0.00 200 S 8.14 4.84 0.00 3.69 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 0.00 201 P 0.00 4.12 0.00 1.25 1.93 0.00 3.56 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 1.31 1.35 0.00 202 L 7.32 4.15 0.00 1.44 1.65 0.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 203 L 7.40 4.14 0.00 1.68 1.62 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.