NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0063 8.3549 108.0246 45.2487 0.0000 172.0214 4 M 4.5560 8.2738 125.5957 52.8023 34.9042 173.1745 5 R 4.4805 8.5582 123.2869 55.9918 32.4515 174.8504 6 V 4.7896 8.4817 125.5711 61.4026 34.7703 173.6309 7 Y 4.8558 9.0642 126.9584 57.3790 39.4502 174.5955 8 L 5.3119 9.4264 124.6421 52.8884 45.0486 175.8051 9 G 4.6716 8.9806 109.6353 44.6602 0.0000 171.3304 10 A 5.8228 9.1424 123.6662 51.3425 23.5269 176.3180 11 D 4.5625 8.5204 120.4335 52.0245 42.0206 176.4124 12 H 4.0538 8.9778 114.2911 59.4510 27.6771 177.2311 13 A 4.2686 7.9710 122.3431 53.8063 18.4511 178.7752 14 G 3.9828 7.9238 101.7916 44.7057 0.0000 174.8523 15 Y 4.0501 7.6921 123.2835 60.7343 38.9016 177.9876 16 E 3.7207 8.2543 118.9171 59.2617 29.5784 178.8953 17 L 3.8944 7.8547 119.8538 57.9215 42.0708 178.5026 18 K 3.7811 8.3065 119.9641 59.8765 32.0736 178.7239 19 Q 3.8506 7.7203 117.9679 58.9307 28.5564 178.9098 20 R 3.9188 7.9255 119.1485 59.3205 30.0345 179.2366 21 I 3.7939 8.0154 119.9823 64.1952 37.0750 178.4614 22 I 3.6823 8.0417 121.1259 64.2388 36.9509 177.7687 23 E 3.8883 8.0446 120.0202 59.7386 29.4454 178.3270 24 H 4.1086 8.3278 117.9054 59.2583 29.8711 177.1464 25 L 4.0436 8.2583 122.3516 57.1904 41.3729 179.3806 26 K 3.8506 8.0831 118.3719 59.9860 31.8618 179.4513 27 Q 4.0500 8.0301 116.5594 58.2723 28.2864 177.7429 28 T 4.4211 7.7264 109.6666 61.2949 68.8341 175.9799 29 G 3.8409 7.9627 109.8143 45.8592 0.0000 172.9511 30 H 4.7466 7.8682 116.7426 54.0841 31.7684 174.6368 31 E 4.6252 9.2691 120.3578 53.7025 29.9834 172.0793 32 P 4.8534 0.0000 0.0000 62.1397 32.9500 175.8223 33 I 4.4010 8.9036 124.2433 59.4693 39.9392 174.0746 34 D 4.9851 8.7940 127.6678 53.6537 41.3137 175.5212 35 C 4.4862 9.4313 124.1936 59.9239 28.8716 174.8630 36 G 4.0500 9.0373 105.9187 44.6085 0.0000 172.9719 37 A 4.0102 7.3654 122.7135 51.8601 18.5906 178.3423 38 L 4.4205 8.4754 121.6367 56.3048 42.3590 177.2647 39 R 4.4337 7.3406 115.7074 53.7843 33.9401 174.0902 40 Y 3.4448 7.7130 121.5019 57.3084 39.0179 174.7727 41 D 4.3504 7.7368 126.2593 51.8747 42.9942 175.7107 42 A 3.3801 8.2698 130.4288 54.3873 18.4778 177.4116 43 D 4.7008 7.7733 113.5507 53.8610 41.4108 176.2598 44 D 4.6173 7.8818 119.6202 53.1934 40.1004 175.3132 45 D 4.9337 8.3840 119.4475 52.1990 42.9788 176.4435 46 Y 4.5674 8.7445 123.8880 59.8270 37.6684 176.5778 47 P 4.1845 0.0000 0.0000 65.4019 31.4056 177.9139 48 A 3.8004 7.7624 118.7451 55.4873 18.1463 179.6509 49 F 4.3110 7.5525 115.4116 60.8031 39.0453 177.7417 50 C 4.3026 8.3651 116.5767 62.8740 27.9972 176.2103 51 I 3.7124 8.2544 121.6832 64.0468 36.6711 178.1528 52 A 3.9141 8.1184 121.4674 55.2494 18.2370 179.5479 53 A 3.9599 8.1338 118.7750 55.2924 18.4949 179.7379 54 A 3.9388 8.1917 119.3339 55.5258 18.4848 179.9191 55 T 3.7558 8.3289 114.5723 66.9885 68.3415 177.1054 56 R 3.6523 7.5440 118.3813 59.2354 30.3300 179.0785 57 T 4.2894 7.5114 116.8686 66.2251 68.2976 177.0508 58 V 3.6048 7.6639 118.6010 65.7763 31.6356 177.4944 59 A 4.2657 7.9101 118.9301 52.9229 19.7389 177.0871 60 D 4.8215 7.5571 116.8603 50.9172 41.0709 172.4008 61 P 4.5343 0.0000 0.0000 63.6404 32.2493 176.4967 62 G 4.0462 8.9859 110.5571 45.2414 0.0000 173.8992 63 S 4.6701 8.0744 114.2502 58.1394 64.9760 173.0719 64 L 5.3859 8.9310 120.1099 53.0546 45.7797 175.6504 65 G 4.6929 9.6254 106.1741 45.0507 0.0000 171.9271 66 I 5.1556 9.0832 122.2834 59.4144 41.4907 174.6349 67 V 5.0447 8.9003 120.4824 59.5454 34.7119 174.8195 68 L 5.1529 8.3830 123.9399 51.9834 45.4689 175.2579 69 G 3.7656 8.2966 111.3317 46.0179 0.0000 173.6778 70 G 3.7695 9.1359 107.2020 48.9286 0.0000 175.8597 71 S 4.5154 8.2051 114.3873 57.0828 64.6519 174.4655 72 G 4.0949 8.5486 110.0578 46.0757 0.0000 175.6904 73 N 4.3672 8.0092 116.9565 56.2882 38.5594 177.6783 74 G 3.4640 7.8009 106.5547 47.7044 0.0000 175.3995 75 E 4.0306 7.6675 120.4874 59.3072 29.5300 179.2909 76 Q 4.0485 8.1037 117.7316 59.1227 28.4449 178.4462 77 I 3.6786 7.7394 120.8270 64.1842 37.4805 177.8675 78 A 4.1815 8.3504 121.3471 55.1488 18.2549 179.5034 79 A 3.9650 8.1172 119.2567 55.4638 18.3194 179.5139 80 N 4.4535 8.3045 113.4891 55.6533 38.6453 177.0214 81 K 4.2458 7.7604 118.8620 56.7865 32.7331 177.1667 82 V 3.7975 7.4298 121.1419 61.3333 31.9942 173.5148 83 P 5.1431 0.0000 0.0000 63.7376 31.4979 176.7867 84 G 3.9011 9.0514 111.8951 45.0968 0.0000 173.3314 85 A 4.4451 7.5821 122.6062 51.4609 19.6675 177.1040 86 R 4.6457 9.3755 120.7613 54.6542 33.4360 174.2800 87 C 5.1572 9.6479 125.7473 57.4445 33.2599 173.4390 88 A 4.4226 8.6375 128.7476 51.3164 20.2173 175.6965 89 L 4.7257 8.4321 121.8185 53.9011 43.0604 175.8566 90 A 4.5397 8.7136 130.1886 50.4270 19.2861 176.5186 91 W 4.8015 8.1339 118.5533 56.1602 29.1740 175.9855 92 S 4.4178 7.0413 112.4107 56.5106 65.8542 175.9027 93 V 3.4891 8.0345 122.2705 66.2125 31.1253 178.0588 94 Q 3.8504 7.7430 118.9243 59.4162 29.0020 178.2534 95 T 3.7142 7.6287 110.6064 64.3694 68.3833 176.4240 96 A 3.9335 7.9687 123.4769 54.9803 18.3600 179.4963 97 A 3.9833 7.9974 119.1936 55.3876 18.4100 179.9075 98 L 3.7976 8.2792 117.6918 57.6323 41.5537 179.4608 99 A 4.0389 8.0597 120.8913 55.2930 18.1616 179.9869 100 R 3.9062 7.8377 115.9620 59.5228 30.1674 178.8815 101 E 4.2375 8.5659 119.2164 59.1869 29.4110 177.9510 102 H 4.3453 8.5486 114.6270 57.1539 29.9904 175.7656 103 N 4.6482 8.1916 113.9874 52.3879 39.2081 174.0954 104 N 3.8618 8.1223 115.1588 53.7103 37.3570 173.8444 105 A 4.1703 7.9355 119.2262 52.3328 19.0570 178.6264 106 Q 4.3789 8.7398 121.7969 57.4945 30.2842 175.7128 107 L 6.2000 8.4047 118.1911 51.6927 46.1554 175.6010 108 I 4.8575 7.7491 113.5277 59.0378 41.2352 174.2601 109 G 4.3214 9.1690 111.5796 45.2418 0.0000 172.6477 110 I 4.8363 8.5096 123.6812 59.0762 41.3268 175.0404 111 G 3.9415 8.8626 114.3711 45.2490 0.0000 174.1908 112 G 3.9001 9.1561 116.1740 49.1986 0.0000 173.8099 113 R 4.3317 8.2937 117.4588 57.8455 30.0512 177.8000 114 M 4.2873 8.0930 117.6581 55.7731 32.8823 175.6653 115 H 5.1273 7.6521 114.3824 52.9701 33.0903 173.6704 116 T 4.1718 8.7891 112.8016 61.4323 70.6165 175.8828 117 V 3.5260 8.3063 120.8012 66.1400 31.6128 178.0955 118 A 3.9409 7.8954 119.9809 55.1308 18.3505 179.1886 119 E 3.8807 8.3277 116.8962 59.5763 29.5225 179.5028 120 A 3.9387 8.2261 120.8645 55.2369 18.3766 179.7570 121 L 3.8482 8.2223 117.4099 57.5708 41.6009 179.6323 122 A 3.9629 7.9136 120.8660 54.9883 18.2502 179.6443 123 I 3.5766 7.7633 118.3403 64.4684 37.1730 178.6132 124 V 3.6437 7.8545 118.9531 66.2542 31.2189 177.4547 125 D 4.4122 8.3231 118.3963 57.5752 40.6019 178.9177 126 A 3.9931 8.0572 120.8562 55.0805 18.1575 179.3643 127 F 4.2523 8.1778 117.9624 61.6915 39.6653 177.3844 128 V 3.6040 7.8870 109.2550 62.4925 31.6305 176.7467 129 T 4.4116 7.4420 106.9938 61.3547 69.9032 174.1793 130 T 4.3395 7.4330 120.7086 61.6501 69.1688 173.0410 131 P 4.5036 0.0000 0.0000 61.6290 32.3140 175.9538 132 W 5.0142 8.9219 129.9418 57.1387 31.1347 176.3898 133 S 3.9104 8.3184 120.9847 59.4083 62.6658 175.3913 134 K 2.6184 5.6600 116.3153 56.3462 29.3819 176.1454 135 A 3.9815 6.8289 120.9903 51.6415 20.0254 178.7457 136 Q 3.9084 8.6107 123.8978 59.5434 29.1257 179.6342 137 R 3.9186 7.8213 116.3648 59.5650 29.4737 178.3998 138 H 4.3980 8.0017 116.4840 58.6795 28.7979 177.3346 139 Q 4.2156 8.4005 121.4845 59.2217 28.8926 178.0709 140 R 3.9222 8.3597 120.0443 59.7430 30.1035 178.7061 141 R 3.9603 8.1283 117.6279 59.2656 30.0214 179.0369 142 I 3.7094 8.0632 119.7377 64.6386 37.1490 178.2372 143 D 4.4285 8.4426 119.8155 57.3427 40.6290 178.9107 144 I 3.7529 8.0209 120.4823 64.3154 37.0441 178.2885 145 L 4.0422 8.0016 120.9025 58.1233 42.0207 178.7941 146 A 4.0123 8.4743 121.2471 55.1066 18.2559 179.2782 147 E 3.8842 8.3808 117.9286 59.5098 29.6903 178.3640 148 Y 4.0450 8.1916 119.6638 60.6904 38.9241 177.6040 149 E 3.7620 8.6436 120.6330 59.2431 29.4496 178.8842 150 R 3.7988 7.7650 118.0766 58.8441 30.2747 177.6395 151 T 4.2564 7.5881 107.1234 60.7279 70.2063 174.0287 152 H 2.9796 7.7942 117.3102 56.2390 26.9634 174.4473 153 E 4.4356 7.9785 119.0503 54.3419 29.4574 176.3305 154 A 4.1049 8.8477 127.9664 51.5707 18.8045 175.4342 155 P 4.5128 0.0000 0.0000 61.6142 32.1731 174.6088 156 P 4.4018 0.0000 0.0000 62.9551 31.9219 175.9488 157 V 4.3413 7.9528 113.9434 58.6526 33.4550 174.1894 158 P 4.2915 0.0000 0.0000 62.7699 31.8329 176.5442 *159 G 3.7113 8.4040 106.5284 45.9266 0.0000 172.8195 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 3 G 8.35 4.01 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 0.00 0.00 0.00 4 M 8.27 4.56 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 5 R 8.56 4.48 0.00 1.82 1.71 0.00 3.28 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.32 0.00 6 V 8.48 4.79 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 1.02 0.00 0.00 0.91 0.00 0.00 7 Y 9.06 4.86 0.00 3.08 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 8 L 9.43 5.31 0.00 1.59 1.56 1.00 0.67 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 9 G 8.98 4.67 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 10 A 9.14 5.82 1.20 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 0.00 0.00 11 D 8.52 4.56 0.00 3.12 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 12 H 8.98 4.05 0.00 2.78 3.52 0.00 5.26 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.97 4.27 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.92 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 0.00 0.00 0.00 15 Y 7.69 4.05 0.00 3.20 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 16 E 8.25 3.72 0.00 2.03 1.95 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 2.55 2.33 0.00 17 L 7.85 3.89 0.00 1.74 1.78 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.31 3.78 0.00 1.84 1.86 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.46 7.81 19 Q 7.72 3.85 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 1.79 2.09 0.00 20 R 7.93 3.92 0.00 1.99 1.95 0.00 3.09 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 21 I 8.02 3.79 1.97 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 1.51 0.68 0.93 0.00 0.00 22 I 8.04 3.68 1.98 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 1.39 0.79 0.90 0.00 0.00 23 E 8.04 3.89 0.00 2.28 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 2.47 2.32 0.00 24 H 8.33 4.11 0.00 3.36 3.45 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.26 4.04 0.00 1.70 1.72 0.94 0.74 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 26 K 8.08 3.85 0.00 2.02 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.63 7.81 27 Q 8.03 4.05 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.16 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 28 T 7.73 4.42 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 1.01 0.00 0.00 29 G 7.96 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 0.00 0.00 0.00 30 H 7.87 4.75 0.00 2.98 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.27 4.63 0.00 1.92 1.72 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 2.10 2.17 0.00 32 P 0.00 4.85 0.00 2.10 2.02 0.00 3.74 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 1.96 2.16 0.00 33 I 8.90 4.40 1.53 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.51 1.03 0.00 0.00 34 D 8.79 4.99 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 9.43 4.49 0.00 3.13 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 36 G 9.04 4.05 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 0.00 37 A 7.37 4.01 0.74 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 0.00 0.00 38 L 8.48 4.42 0.00 1.71 1.81 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.34 4.43 0.00 1.64 1.66 0.00 3.21 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 40 Y 7.71 3.44 0.00 2.47 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 41 D 7.74 4.35 0.00 2.51 2.47 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 42 A 8.27 3.38 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 43 D 7.77 4.70 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.88 4.62 0.00 2.95 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 45 D 8.38 4.93 0.00 2.55 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 46 Y 8.74 4.57 0.00 3.32 3.52 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 0.00 0.00 0.00 0.00 47 P 0.00 4.18 0.00 1.96 2.01 0.00 3.18 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.42 0.00 48 A 7.76 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.55 4.31 0.00 3.26 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 50 C 8.37 4.30 0.00 3.13 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 51 I 8.25 3.71 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.58 0.88 0.00 0.00 52 A 8.12 3.91 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 53 A 8.13 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.33 3.76 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 1.16 0.00 0.00 56 R 7.54 3.65 0.00 1.09 0.76 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 57 T 7.51 4.29 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 58 V 7.66 3.60 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 0.85 0.00 0.00 0.95 0.00 0.00 59 A 7.91 4.27 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 60 D 7.56 4.82 0.00 2.89 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 61 P 0.00 4.53 0.00 2.09 1.98 0.00 3.71 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 2.04 2.09 0.00 62 G 8.99 4.05 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 0.00 63 S 8.07 4.67 0.00 4.22 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 64 L 8.93 5.39 0.00 1.59 1.73 0.31 1.05 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 65 G 9.63 4.69 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 66 I 9.08 5.16 1.90 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 1.13 1.06 0.85 0.00 0.00 67 V 8.90 5.04 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 0.83 0.00 0.00 0.97 0.00 0.00 68 L 8.38 5.15 0.00 1.54 1.50 0.91 0.58 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 69 G 8.30 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 70 G 9.14 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 71 S 8.21 4.52 0.00 3.92 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 72 G 8.55 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 73 N 8.01 4.37 0.00 2.66 2.82 0.00 0.00 6.74 8.89 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 74 G 7.80 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 0.00 0.00 0.00 75 E 7.67 4.03 0.00 2.14 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 2.33 2.17 0.00 76 Q 8.10 4.05 0.00 2.49 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.74 0.00 77 I 7.74 3.68 2.08 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 1.48 0.68 0.96 0.00 0.00 78 A 8.35 4.18 1.51 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 0.00 0.00 79 A 8.12 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.30 4.45 0.00 2.92 2.93 0.00 0.00 7.13 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 81 K 7.76 4.25 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.74 1.60 7.81 82 V 7.43 3.80 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 0.94 0.00 0.00 0.93 0.00 0.00 83 P 0.00 5.14 0.00 2.06 1.97 0.00 3.78 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 84 G 9.05 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 85 A 7.58 4.45 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.38 4.65 0.00 1.66 1.81 0.00 3.07 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 87 C 9.65 5.16 0.00 2.90 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 88 A 8.64 4.42 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 89 L 8.43 4.73 0.00 1.68 1.70 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.71 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.13 4.80 0.00 3.58 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 92 S 7.04 4.42 0.00 3.64 3.25 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 93 V 8.03 3.49 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 0.98 0.00 0.00 0.92 0.00 0.00 94 Q 7.74 3.85 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 95 T 7.63 3.71 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 96 A 7.97 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.00 3.98 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.28 3.80 0.00 1.60 1.61 0.84 0.61 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 99 A 8.06 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.84 3.91 0.00 2.06 2.12 0.00 3.44 0.00 0.00 2.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 101 E 8.57 4.24 0.00 2.19 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 2.40 2.40 0.00 102 H 8.55 4.35 0.00 3.30 3.26 0.00 5.71 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 0.00 103 N 8.19 4.65 0.00 2.88 2.84 0.00 0.00 7.01 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.12 3.86 0.00 1.44 1.87 0.00 0.00 7.02 7.96 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 0.00 105 A 7.94 4.17 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 0.00 0.00 106 Q 8.74 4.38 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 107 L 8.40 6.20 0.00 1.60 1.51 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.75 4.86 1.53 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.73 0.48 0.00 0.00 109 G 9.17 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 0.00 110 I 8.51 4.84 1.84 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 1.07 0.68 0.91 0.00 0.00 111 G 8.86 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 0.00 112 G 9.16 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 0.00 113 R 8.29 4.33 0.00 1.85 1.98 0.00 3.16 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 114 M 8.09 4.29 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 115 H 7.65 5.13 0.00 3.10 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.79 4.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 117 V 8.31 3.53 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 1.09 0.00 0.00 0.92 0.00 0.00 118 A 7.90 3.94 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 0.00 119 E 8.33 3.88 0.00 2.24 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 2.36 2.35 0.00 120 A 8.23 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 3.85 0.00 1.57 1.39 0.84 0.89 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 0.00 122 A 7.91 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.76 3.58 1.95 0.00 0.00 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 1.37 0.52 0.82 0.00 0.00 124 V 7.85 3.64 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 1.11 0.00 0.00 0.94 0.00 0.00 125 D 8.32 4.41 0.00 2.91 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 0.00 126 A 8.06 3.99 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 0.00 127 F 8.18 4.25 0.00 2.88 3.29 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 0.00 128 V 7.89 3.60 1.82 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 0.81 0.00 0.00 0.87 0.00 0.00 129 T 7.44 4.41 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 1.28 0.00 0.00 130 T 7.43 4.34 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 1.30 0.00 0.00 131 P 0.00 4.50 0.00 2.19 2.06 0.00 3.78 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 1.98 1.95 0.00 132 W 8.92 5.01 0.00 3.28 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.32 3.91 0.00 3.79 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 0.00 134 K 5.66 2.62 0.00 1.55 1.69 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.97 0.79 7.81 135 A 6.83 3.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.61 3.91 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 137 R 7.82 3.92 0.00 2.04 2.12 0.00 2.96 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 138 H 8.00 4.40 0.00 3.57 3.97 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.40 4.22 0.00 2.44 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 140 R 8.36 3.92 0.00 2.01 2.13 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 141 R 8.13 3.96 0.00 2.15 2.02 0.00 3.36 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 142 I 8.06 3.71 2.06 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.86 0.00 0.00 143 D 8.44 4.43 0.00 2.89 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 0.00 144 I 8.02 3.75 2.05 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 1.09 0.94 0.00 0.00 145 L 8.00 4.04 0.00 1.82 1.85 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.47 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.38 3.88 0.00 2.20 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 0.00 2.34 2.39 0.00 148 Y 8.19 4.05 0.00 3.11 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.64 3.76 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 150 R 7.77 3.80 0.00 1.92 2.04 0.00 3.25 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 151 T 7.59 4.26 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 1.22 0.00 0.00 152 H 7.79 2.98 0.00 3.09 3.20 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.98 4.44 0.00 2.00 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 2.30 2.23 0.00 154 A 8.85 4.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.51 0.00 2.20 2.10 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 156 P 0.00 4.40 0.00 2.21 2.11 0.00 3.76 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 2.00 2.00 0.00 157 V 7.95 4.34 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 0.76 0.00 0.00 0.93 0.00 0.00 158 P 0.00 4.29 0.00 2.17 2.07 0.00 3.79 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 1.99 1.97 0.00 *159 G 8.40 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 * Residues marked with a * may have inaccurate shift predictions.