NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 Q 4.3010 8.3449 118.9886 54.6164 29.4490 174.2046 2 F 4.7872 8.0918 122.6537 54.1549 40.9558 173.9473 3 Q 4.1049 9.4255 127.2334 58.8215 29.9568 176.9666 4 K 4.8041 7.8566 116.6399 51.1268 36.0742 177.0370 5 P 4.3813 0.0000 0.0000 66.4582 31.0327 179.2385 6 G 3.2463 7.8575 104.1084 47.7889 0.0000 175.2791 7 D 4.3421 8.0309 120.7884 57.0684 40.7915 178.6632 8 A 2.6069 7.6037 120.7292 54.6768 18.3679 179.6202 9 I 3.4755 7.5955 118.2084 64.6189 37.2014 178.6067 10 E 3.9933 8.2916 119.5657 59.3339 29.1452 178.8716 11 Y 3.9865 8.0604 119.8773 60.6424 38.8785 178.2798 12 R 3.7336 8.0955 117.2142 59.2870 29.4686 178.5912 13 Q 4.1775 8.1519 118.9156 58.9003 28.7522 179.1958 14 S 4.0761 8.1794 115.7065 61.5634 62.7928 176.6779 15 A 3.8214 7.8772 123.4844 55.1863 17.9879 179.7029 16 F 4.3687 8.1900 116.3990 60.9278 38.9215 177.9773 17 T 3.9429 8.2745 115.5313 66.7967 68.3351 176.6394 18 L 4.0789 7.9604 120.7613 57.7099 41.5863 179.4841 19 I 3.8047 8.1531 119.8250 64.5642 37.1220 178.2551 20 A 4.1816 8.4538 121.7399 55.1574 18.0975 179.2453 21 N 4.2529 8.2841 115.4774 57.3386 38.7941 176.9805 22 H 4.2054 8.3850 117.6458 58.6988 28.7084 177.5523 23 F 4.4220 8.9565 123.2116 61.3861 39.2520 177.4659 24 G 3.5418 8.4567 105.3255 47.6443 0.0000 175.9339 25 R 3.9361 7.7148 120.1726 59.0704 30.0772 179.2964 26 V 3.6337 7.4755 117.4536 65.9638 31.4951 177.8340 27 A 3.7290 7.8758 120.6332 55.0635 17.9923 179.4026 28 A 3.9102 8.0099 119.1466 55.4872 18.4289 179.8164 29 M 4.3732 7.9748 117.0459 58.2124 31.9343 178.9034 30 A 3.5979 7.8051 119.3443 54.8197 18.5880 178.8190 31 Q 4.3050 8.2240 114.1655 55.7411 29.0857 176.4481 32 G 3.9142 8.0361 108.1777 46.5732 0.0000 174.6951 33 K 4.3810 8.2697 118.4943 56.0892 33.1635 176.5088 34 A 4.7427 7.4811 120.7755 49.5742 22.1964 173.8244 35 P 4.4654 0.0000 0.0000 62.4927 32.0231 176.1333 36 F 4.7099 8.6642 123.6656 57.7029 39.8598 175.0948 37 D 4.3636 8.2387 126.5078 51.7172 43.1893 175.5570 38 A 3.6006 7.5944 130.1133 54.6301 18.4078 178.8653 39 K 3.8073 7.8304 117.7696 59.7050 32.3866 179.1409 40 V 3.7110 8.0760 118.3133 65.8341 31.4082 177.7417 41 A 4.0033 8.3478 120.7683 55.1914 18.1652 179.4574 42 A 3.9981 8.2661 119.4193 55.3595 18.5152 179.7310 43 E 3.9168 8.3855 117.1655 59.7244 29.4671 179.4267 44 N 4.4549 8.4470 116.6035 56.1556 38.5198 177.5774 45 I 3.7415 8.3284 121.5874 64.4202 37.2157 178.2565 46 A 4.0174 8.3532 121.8624 55.0452 18.0910 179.7613 47 L 3.8726 7.8751 117.3127 57.9520 41.6784 179.5963 48 V 3.6498 8.0075 118.4005 66.2076 31.1428 177.9666 49 S 3.9924 8.1800 111.7292 61.6809 62.0687 175.8196 50 T 4.0174 7.9596 118.3510 66.8976 68.2382 176.6663 51 L 4.0957 8.3704 121.3271 57.5826 41.3876 179.6344 52 S 4.3762 8.0687 113.5829 60.8631 62.9145 175.7833 53 K 4.3018 7.5112 118.9158 56.9282 32.3841 177.7639 54 L 4.6118 7.9657 120.4053 56.2019 42.6054 177.0348 55 P 4.2850 0.0000 0.0000 65.5255 31.3789 177.5771 56 L 4.7276 7.9478 116.3376 55.8685 41.7285 177.2021 57 T 4.3977 7.9878 108.1595 62.1943 69.2225 174.9494 58 A 4.6941 8.0886 125.4108 52.3018 19.6287 176.4268 59 F 5.0281 8.2828 115.1823 58.4919 39.6269 175.5968 60 G 4.1008 7.9736 110.2487 43.8791 0.0000 171.1659 61 P 4.2525 0.0000 0.0000 64.1480 31.4439 176.9179 62 G 3.7785 8.5363 108.6898 46.0995 0.0000 173.5361 63 T 4.4362 7.1924 108.5030 61.3458 68.9614 175.1418 64 D 4.0580 7.3786 120.6571 53.9336 40.1581 176.0859 65 K 4.4316 7.2783 118.1551 55.7528 36.2219 176.6115 66 G 3.7417 8.4416 108.5686 45.8802 0.0000 172.9868 67 H 4.1051 9.2386 111.9663 56.7580 26.0707 175.9755 68 G 3.8994 8.4443 104.3389 46.2059 0.0000 174.4577 69 T 3.9983 7.9506 113.9552 62.3412 67.9102 173.6629 70 E 4.7808 8.7405 125.2033 56.0177 31.3591 175.0849 71 A 4.7425 8.0622 122.9005 51.8354 19.1135 178.5328 72 K 4.3179 9.1774 122.6030 55.4930 33.2416 176.7528 73 P 4.5589 0.0000 0.0000 65.8896 31.1376 178.7276 74 A 4.5536 8.2005 120.2144 54.1822 17.9820 179.3367 75 V 2.5744 8.0024 117.2866 65.1942 30.9718 177.6312 76 W 4.4289 8.1290 116.8790 57.7693 30.3521 177.5587 77 S 4.4321 8.1603 112.0527 59.6261 63.4204 173.1349 78 D 5.1876 8.2625 120.3594 52.3072 40.9494 175.8750 79 A 4.1689 8.2104 126.2343 54.7421 18.8507 179.1690 80 A 4.0329 8.0626 118.9131 55.2092 18.5276 179.9520 81 G 3.7709 8.4434 105.7151 47.3669 0.0000 175.7842 82 F 3.1529 8.2522 123.1711 60.5669 39.2463 177.2045 83 K 3.7183 8.2998 119.3798 59.2410 31.9406 178.6409 84 A 3.9417 8.2370 121.1289 55.1198 18.3209 179.4893 85 A 3.8886 8.0707 119.0780 55.0875 18.3168 179.7523 86 A 3.8109 7.8429 119.6081 55.4373 18.3831 179.6775 87 D 4.2574 8.4411 117.8747 57.1895 40.8321 178.9209 88 K 3.9100 8.2215 120.3926 59.2747 32.1690 178.6554 89 F 4.2265 8.2842 120.7265 61.3626 39.3386 176.8767 90 A 3.6544 8.2852 120.4837 55.0684 18.2105 179.4903 91 A 3.8492 8.1751 119.1014 55.1543 18.3900 179.7645 92 A 3.8975 7.9633 119.3792 55.2716 18.4550 180.0438 93 V 3.3607 7.8778 117.1835 65.9826 31.4239 177.8984 94 D 4.3216 8.1140 118.8082 57.4514 40.6878 179.0466 95 K 3.9750 7.9458 118.6339 59.1639 31.8886 179.2482 96 L 3.9785 8.0486 120.9041 58.1286 42.0122 178.6744 97 D 4.3262 8.5644 119.0592 57.4098 40.8372 178.6308 98 A 3.9800 8.1827 120.9849 55.1709 18.3564 179.5693 99 A 4.0581 8.2664 119.4116 55.2074 18.2255 180.0204 100 G 3.6522 8.2122 103.6424 47.9366 0.0000 175.7825 101 K 4.1860 7.8927 120.1761 59.4867 32.1973 179.3645 102 T 4.1124 7.8366 108.8970 62.5441 68.8902 175.8981 103 G 3.9421 7.9741 108.0561 45.9529 0.0000 173.2967 104 D 4.5592 8.0726 120.5020 53.4017 41.8101 176.1757 105 F 3.5093 8.9217 129.2184 61.3581 39.3988 176.7358 106 A 3.9527 8.1175 119.7498 55.1823 18.2337 179.2409 107 Q 3.8750 8.6039 118.2371 59.2110 29.0761 178.4242 108 I 3.6238 7.9440 121.2876 64.2150 37.1386 178.3137 109 K 3.6550 7.8977 120.5216 59.2307 31.9840 178.5855 110 A 3.9275 8.0162 120.8344 55.2884 18.3294 179.5623 111 A 3.9927 8.1053 119.2150 55.0428 18.3078 180.0175 112 V 3.9073 8.3142 117.5714 66.1601 31.6005 178.5166 113 G 3.6165 8.1075 105.4760 47.7709 0.0000 175.3042 114 E 3.9644 8.2837 121.9856 59.2204 29.7171 178.9742 115 T 3.9603 8.5289 116.3074 66.6452 68.5478 176.7036 116 G 3.9050 8.6662 108.0308 47.9889 0.0000 175.7767 117 G 3.6809 8.3482 107.9058 47.5420 0.0000 175.6380 118 A 4.0149 7.9481 122.8343 54.9101 18.2857 179.4650 119 C 3.6539 8.0460 115.2999 62.8596 28.1755 176.3245 120 K 3.9434 8.1183 121.2071 59.3639 31.8903 179.0534 121 G 3.5807 8.3543 106.4402 47.8244 0.0000 175.3374 122 C 4.3861 7.9391 120.8072 62.6264 31.6654 175.2859 123 H 4.2187 8.3551 118.0754 59.0776 28.0479 177.3374 124 D 4.3573 8.2482 119.9304 57.2270 40.7485 178.5175 125 K 3.9954 7.4041 115.5325 57.0890 32.6763 177.3672 126 F 4.9517 8.2082 114.7738 56.1957 41.1016 174.0412 127 K 4.9889 8.0273 121.9938 54.2540 34.3848 175.6369 128 E 3.9119 9.4229 129.3564 59.8442 29.6964 177.8710 *129 K 4.1215 7.8826 122.9217 54.7354 32.4708 177.0504 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 *1 Q 8.34 4.30 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 2 F 8.09 4.79 0.00 3.05 2.88 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 3 Q 9.43 4.10 0.00 2.51 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.81 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 4 K 7.86 4.80 0.00 1.64 1.61 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.24 7.81 5 P 0.00 4.38 0.00 2.00 2.24 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 6 G 7.86 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 0.00 0.00 0.00 7 D 8.03 4.34 0.00 2.98 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 A 7.60 2.61 0.96 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 0.00 0.00 9 I 7.60 3.48 1.92 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 1.49 0.81 0.91 0.00 0.00 10 E 8.29 3.99 0.00 2.08 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 2.34 2.41 0.00 11 Y 8.06 3.99 0.00 3.17 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 12 R 8.10 3.73 0.00 1.87 1.92 0.00 2.21 0.00 0.00 2.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 13 Q 8.15 4.18 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 14 S 8.18 4.08 0.00 3.92 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 15 A 7.88 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.19 4.37 0.00 3.26 2.98 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 17 T 8.27 3.94 4.45 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 1.25 0.00 0.00 18 L 7.96 4.08 0.00 1.85 1.78 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.15 3.80 2.18 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 1.57 0.78 1.06 0.00 0.00 20 A 8.45 4.18 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 21 N 8.28 4.25 0.00 2.80 2.92 0.00 0.00 7.25 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 22 H 8.39 4.21 0.00 3.33 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.96 4.42 0.00 3.18 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 24 G 8.46 3.54 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 0.00 0.00 0.00 25 R 7.71 3.94 0.00 1.98 2.00 0.00 3.35 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 26 V 7.48 3.63 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 0.98 0.00 0.00 1.02 0.00 0.00 27 A 7.88 3.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.01 3.91 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 29 M 7.97 4.37 0.00 2.55 2.41 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 2.87 2.76 0.00 30 A 7.81 3.60 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 31 Q 8.22 4.31 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.31 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 32 G 8.04 3.91 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 0.00 0.00 0.00 33 K 8.27 4.38 0.00 1.87 1.86 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.37 7.81 34 A 7.48 4.74 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 35 P 0.00 4.47 0.00 2.08 2.03 0.00 3.70 0.00 0.00 3.61 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 36 F 8.66 4.71 0.00 2.93 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 37 D 8.24 4.36 0.00 2.60 2.40 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 38 A 7.59 3.60 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 39 K 7.83 3.81 0.00 1.78 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.47 7.81 40 V 8.08 3.71 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 0.96 0.00 0.00 0.96 0.00 0.00 41 A 8.35 4.00 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 42 A 8.27 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.39 3.92 0.00 2.19 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 2.49 0.00 44 N 8.45 4.45 0.00 2.78 3.09 0.00 0.00 7.05 6.77 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 45 I 8.33 3.74 2.08 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 1.53 0.88 1.00 0.00 0.00 46 A 8.35 4.02 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 47 L 7.88 3.87 0.00 1.87 1.61 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.01 3.65 2.31 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 1.14 0.00 0.00 1.15 0.00 0.00 49 S 8.18 3.99 0.00 4.05 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 50 T 7.96 4.02 4.37 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 1.21 0.00 0.00 51 L 8.37 4.10 0.00 1.86 1.72 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.07 4.38 0.00 3.87 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 53 K 7.51 4.30 0.00 1.96 1.91 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.58 7.81 54 L 7.97 4.61 0.00 1.72 1.84 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.28 0.00 1.31 1.55 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.29 0.00 56 L 7.95 4.73 0.00 1.74 1.78 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.99 4.40 4.35 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 1.34 0.00 0.00 58 A 8.09 4.69 0.96 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 0.00 0.00 59 F 8.28 5.03 0.00 2.92 2.68 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 60 G 7.97 4.10 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 0.00 61 P 0.00 4.25 0.00 2.21 2.14 0.00 3.93 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 62 G 8.54 3.78 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 0.00 63 T 7.19 4.44 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 1.24 0.00 0.00 64 D 7.38 4.06 0.00 1.88 1.54 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 65 K 7.28 4.43 0.00 1.86 1.62 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 0.98 7.81 66 G 8.44 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 0.00 0.00 0.00 67 H 9.24 4.11 0.00 3.30 3.38 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.44 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 69 T 7.95 4.00 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 1.31 0.00 0.00 70 E 8.74 4.78 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 71 A 8.06 4.74 1.63 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 0.00 0.00 72 K 9.18 4.32 0.00 1.90 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.57 7.81 73 P 0.00 4.56 0.00 2.25 2.21 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 74 A 8.20 4.55 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 75 V 8.00 2.57 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 0.00 0.00 -1.52 0.00 0.00 0.26 0.00 0.00 76 W 8.13 4.43 0.00 3.49 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 77 S 8.16 4.43 0.00 4.07 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 78 D 8.26 5.19 0.00 2.82 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.21 4.17 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 80 A 8.06 4.03 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 81 G 8.44 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 82 F 8.25 3.15 0.00 2.10 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 83 K 8.30 3.72 0.00 1.81 1.90 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.40 7.81 84 A 8.24 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 85 A 8.07 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.84 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.44 4.26 0.00 2.76 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 88 K 8.22 3.91 0.00 1.92 1.99 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 89 F 8.28 4.23 0.00 3.01 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 90 A 8.29 3.65 1.28 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 0.00 0.00 91 A 8.18 3.85 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.96 3.90 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 93 V 7.88 3.36 1.77 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 0.80 0.00 0.00 0.10 0.00 0.00 94 D 8.11 4.32 0.00 2.88 2.66 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 0.00 0.00 0.00 0.00 95 K 7.95 3.97 0.00 1.94 1.84 0.00 1.93 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.60 7.81 96 L 8.05 3.98 0.00 1.87 1.82 1.04 1.29 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 97 D 8.56 4.33 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.18 3.98 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 99 A 8.27 4.06 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 0.00 100 G 8.21 3.65 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 0.00 101 K 7.89 4.19 0.00 1.93 1.89 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 102 T 7.84 4.11 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 1.29 0.00 0.00 103 G 7.97 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 0.00 104 D 8.07 4.56 0.00 2.79 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 0.00 105 F 8.92 3.51 0.00 2.44 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 0.00 106 A 8.12 3.95 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 0.00 107 Q 8.60 3.87 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 108 I 7.94 3.62 1.71 0.00 0.00 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 1.42 0.60 0.79 0.00 0.00 109 K 7.90 3.66 0.00 1.16 1.66 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.30 7.81 110 A 8.02 3.93 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 0.00 111 A 8.11 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 0.00 112 V 8.31 3.91 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 0.94 0.00 0.00 0.88 0.00 0.00 113 G 8.11 3.62 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 0.00 0.00 0.00 114 E 8.28 3.96 0.00 2.07 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 0.00 2.31 2.35 0.00 115 T 8.53 3.96 4.40 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 0.86 0.00 0.00 116 G 8.67 3.91 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 0.00 0.00 0.00 117 G 8.35 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 0.00 118 A 7.95 4.01 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 0.00 119 C 8.05 3.65 0.00 2.90 2.65 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 0.00 120 K 8.12 3.94 0.00 1.89 1.91 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.33 7.81 121 G 8.35 3.58 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 0.00 0.00 0.00 122 C 7.94 4.39 0.00 2.92 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 0.00 123 H 8.36 4.22 0.00 3.28 3.26 0.00 5.70 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 0.00 124 D 8.25 4.36 0.00 2.73 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 0.00 125 K 7.40 4.00 0.00 1.35 0.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.34 7.81 126 F 8.21 4.95 0.00 3.29 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 0.00 127 K 8.03 4.99 0.00 1.62 1.69 0.00 1.32 0.00 0.00 1.19 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.29 7.81 128 E 9.42 3.91 0.00 1.96 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 2.56 2.43 0.00 *129 K 7.88 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.