NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5142 0.0000 0.0000 61.9746 34.0562 175.4246 3 S 5.1064 8.0734 111.0841 56.6641 65.6357 171.7261 4 I 4.7429 9.3658 125.4960 59.8895 42.5667 173.4295 5 K 5.1115 8.7295 124.8234 54.9902 34.2588 175.2783 6 L 5.0551 9.1827 125.0679 53.0624 44.9000 175.3661 7 Q 5.1832 8.7923 123.4807 54.0782 31.6652 175.0981 8 S 4.8990 9.3927 122.7340 58.2510 64.1830 175.3876 9 S 4.4778 9.5036 116.2250 59.6418 63.4597 174.6593 10 D 4.7605 8.0814 119.5257 53.8801 40.0639 175.6521 11 G 4.3018 8.4580 112.5703 47.0592 0.0000 175.4609 12 E 3.9612 8.0101 120.2975 56.4205 30.7621 176.2890 13 I 5.5737 7.8718 122.9930 58.8691 39.8549 174.7233 14 F 4.8061 9.0624 125.7614 55.7031 41.8041 174.7128 15 E 5.0177 8.9843 123.2258 55.5125 30.0091 175.8153 16 V 4.4979 8.3880 118.3603 59.0785 35.1074 175.3922 17 D 4.9286 8.4650 121.7347 54.0493 42.0654 177.4876 18 V 3.6197 8.3475 119.8104 64.8556 31.2919 178.6510 19 E 4.0007 9.3009 119.0477 59.0502 29.7801 178.5466 20 I 3.9417 7.6016 119.3703 64.0454 37.4359 177.9743 21 A 4.0498 8.3861 122.0615 54.8482 17.9821 179.4789 22 K 3.9982 7.9947 117.1651 59.1848 32.2866 178.5820 23 Q 4.2969 7.7740 117.3469 56.9310 28.8242 175.9796 24 S 4.5375 7.6566 115.8170 56.4306 62.9856 174.4140 25 V 3.6189 8.3294 128.7011 66.6078 31.0453 177.8352 26 T 3.7608 7.5367 115.3047 66.8507 68.3716 176.7478 27 I 3.7358 7.6183 120.9867 63.8177 36.8201 178.7073 28 K 3.8984 8.1317 120.6418 59.7508 32.3587 178.3515 29 T 3.9552 8.1566 113.7388 65.3654 67.2931 175.9239 30 M 4.0454 7.8381 120.2510 58.4031 31.9487 178.4927 31 L 4.2251 7.5282 115.8200 57.1708 41.9508 176.7280 32 E 4.4900 7.9938 116.1265 57.8649 32.4738 177.2292 33 D 4.6306 8.6906 116.9571 55.4467 40.7581 177.0564 34 L 4.5018 8.5651 118.3487 54.0712 48.8230 175.9162 35 G 4.0009 7.9491 106.2506 46.7470 0.0000 172.0960 36 M 4.4398 7.2475 117.2924 53.8646 34.2807 176.1561 *43 D 5.0878 7.6363 118.2883 54.4484 43.3535 175.3600 44 P 4.7595 0.0000 0.0000 61.7043 29.8457 173.8373 45 V 3.5707 8.5779 121.8277 62.7512 32.8859 173.0516 46 P 4.6661 0.0000 0.0000 62.4583 31.6268 177.0244 47 L 5.0883 8.4006 126.7310 52.2987 40.6637 175.9581 48 P 4.2998 0.0000 0.0000 64.8399 31.9004 177.8089 49 N 4.4733 7.8539 114.6829 52.6061 38.9002 174.4788 50 V 4.3329 7.5997 119.6235 60.2524 34.2834 175.2078 51 N 5.0228 8.8497 126.3483 51.3121 39.9175 175.6495 52 A 4.3213 8.9251 121.2625 55.1168 18.1117 179.8482 53 A 3.9779 7.9911 118.9433 55.5192 18.6479 179.7631 54 I 3.6759 7.8298 117.7469 64.4391 37.1543 178.4167 55 L 3.8860 7.9355 121.1693 58.0543 41.8536 178.8896 56 K 3.5816 7.5900 119.4258 59.1798 32.0334 179.0492 57 K 4.1819 7.7501 118.8798 59.5153 32.0121 179.2303 58 V 3.7671 8.2096 118.9449 66.4874 31.3031 178.1531 59 I 3.7690 8.1834 119.6850 64.2349 36.8472 178.2980 60 Q 4.0351 8.1631 120.4690 58.9966 29.0077 178.0263 61 W 3.8611 8.9818 129.7021 60.7562 30.5233 177.7688 62 C 4.3383 8.5993 115.8799 62.9027 27.8317 176.0041 63 T 3.9019 8.1764 117.7471 66.9301 67.8687 176.0259 64 H 3.5116 7.6769 118.6281 58.2815 29.8509 175.2856 65 H 5.3478 7.3058 116.7436 53.9580 29.1885 176.6463 66 K 3.9246 7.5868 121.4854 59.5429 32.4162 177.4055 67 D 4.5874 7.6447 117.3072 55.2824 42.2898 177.4190 68 D 4.4641 7.3532 120.6205 53.6511 41.7843 174.5463 *85 I 4.2256 8.1204 121.6230 61.3624 38.3795 174.3569 86 P 4.4869 0.0000 0.0000 62.8528 33.1722 177.5552 87 V 3.6963 8.3527 118.4878 65.8017 31.5564 178.1079 88 W 4.0453 8.2761 127.7206 60.5826 30.5541 177.4696 89 D 4.6164 8.5239 118.3073 57.6002 40.1756 178.5494 90 Q 4.0820 8.0337 117.4453 59.0632 29.0670 178.5831 91 E 4.0271 8.5253 118.9586 59.1922 29.2760 178.8128 92 F 3.8153 7.9544 120.9814 60.8480 39.4134 176.4925 93 L 4.2461 8.3091 116.4464 54.3202 43.2235 178.7259 94 K 4.3175 7.3466 121.5078 54.6090 28.8911 174.4767 95 V 4.4895 6.7321 114.0831 58.2371 36.3893 175.9926 96 D 4.5672 8.2227 120.3282 53.3676 41.0945 176.9300 97 Q 4.1906 8.8547 119.9555 59.3859 28.6181 179.8490 98 G 3.6528 8.0883 105.8752 48.3229 0.0000 175.6149 99 T 3.8827 8.4203 119.0959 66.0449 68.4421 176.5353 100 L 3.9063 7.9257 122.1636 58.1248 41.8688 178.8222 101 F 3.9949 8.7247 121.0690 61.2489 39.2696 177.0359 102 E 4.1520 8.5777 118.5491 59.2028 29.1531 179.3056 103 L 3.9676 8.2730 119.4609 57.8739 41.7464 179.4388 104 I 3.4156 7.7417 119.7376 64.2731 36.7076 178.5925 105 L 3.8346 7.5033 119.2308 57.6467 41.4454 178.9868 106 A 4.4944 8.3488 120.8627 55.4741 18.2410 179.3117 107 A 3.7786 8.7903 119.9862 55.3526 18.2843 179.4348 108 N 4.1486 8.0836 115.1975 56.9953 38.9229 176.2769 109 Y 4.2532 8.7356 120.5231 60.8678 39.0973 177.6875 110 L 3.7850 8.7417 118.0367 53.7974 43.2684 175.5477 111 D 4.4721 7.7966 116.7963 55.2052 39.6320 172.0791 112 I 4.6244 8.0408 121.7020 57.7852 37.8868 176.0478 113 K 3.8455 8.5549 125.8539 59.6123 32.0042 177.4753 114 G 3.8595 8.1543 105.0622 48.1805 0.0000 175.1968 115 L 2.6437 7.1094 122.4679 56.0676 41.8822 178.4830 116 L 3.8758 7.7804 120.5435 57.5885 41.9105 178.3896 117 D 4.2486 7.8561 118.2192 57.4514 41.2505 178.6452 118 V 3.7178 7.3383 111.8148 64.5073 31.5399 178.7177 119 T 3.8449 7.5991 109.3890 65.0873 68.5258 176.4722 120 C 4.1001 7.8065 119.7681 62.3891 28.0984 176.2578 121 K 4.0480 8.1537 120.0276 59.3810 31.6865 179.6901 122 T 3.9148 7.9874 116.5417 66.6780 68.5229 176.9555 123 V 3.7897 7.8904 119.8966 65.6674 31.5052 178.0070 124 A 4.0478 8.1439 121.0106 55.2406 18.0286 179.4026 125 N 4.4221 8.3738 114.2990 56.4645 38.6106 177.3348 126 M 4.2644 7.7521 119.4214 58.3459 31.9202 178.4706 127 I 3.9878 7.9345 119.8062 63.1118 37.3929 176.9376 128 K 3.9851 7.3810 118.7323 58.1903 32.5518 175.6595 129 G 4.3683 9.0632 116.6051 45.7007 0.0000 174.3396 130 K 4.0596 7.0784 117.6289 56.0712 32.6968 177.6091 131 T 4.4061 8.1544 112.8453 60.0938 71.6428 174.0873 132 P 4.2518 0.0000 0.0000 65.8371 31.1887 178.5477 133 E 3.8974 8.0826 117.3313 59.5299 29.6943 178.5556 134 E 3.9835 7.8859 118.2226 59.3639 29.4599 179.6661 135 I 3.8057 7.7847 121.4603 63.6317 37.1853 178.4295 136 R 4.0237 7.9841 118.9474 59.8616 29.9180 178.3846 137 K 3.8480 8.3190 117.9656 60.0676 32.0069 178.8163 138 T 3.5558 8.0918 107.6316 66.5622 68.3549 175.0336 139 F 5.2133 7.7466 121.9152 55.1954 40.2236 175.1447 140 N 4.2080 7.7806 114.7688 53.9941 36.8312 171.8056 141 I 4.5891 8.3194 121.0999 58.3140 40.3907 175.7845 142 K 3.9785 8.5267 126.1771 56.2412 32.6117 176.3457 143 N 4.6129 8.4855 124.8224 52.7106 37.6435 174.3560 144 D 4.4275 8.1108 124.8406 55.5871 41.3450 177.3214 145 F 4.9789 7.8164 118.1483 57.5073 39.8287 174.7694 146 T 4.7244 8.7888 119.3793 61.8467 69.9991 176.1131 147 E 3.9628 8.7525 124.0929 59.0689 29.2757 178.9483 148 E 3.8446 8.0927 118.7487 58.3154 29.9463 177.9329 149 E 4.0164 8.3808 119.2959 59.2850 29.7794 178.8901 150 E 3.8349 8.0081 117.4653 58.5411 29.5206 179.0678 151 A 3.9573 7.3128 121.2844 54.9344 18.3724 179.4358 152 Q 3.8597 7.7024 118.1993 59.1578 29.0061 178.0328 153 V 3.7087 7.7931 119.8655 65.2962 31.6520 177.7454 154 R 3.9393 7.7490 117.7567 59.3851 30.0715 178.3484 155 K 4.0413 7.9109 119.3160 59.6056 31.8620 178.0734 156 E 4.4384 9.1257 117.9401 57.8142 29.0678 177.6020 157 N 5.0046 7.7765 115.4950 52.9810 40.0737 175.7252 158 Q 4.0278 8.3663 119.9594 58.8444 28.8294 178.6976 159 W 4.4291 8.3490 113.2123 59.2352 28.0357 175.3265 160 C 3.3379 6.2949 122.8080 59.0194 30.6928 172.7433 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 P 0.00 4.51 0.00 1.78 2.13 0.00 3.63 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 1.92 1.60 0.00 3 S 8.07 5.11 0.00 3.92 3.73 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 4 I 9.37 4.74 1.90 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 1.24 0.97 0.94 0.00 0.00 5 K 8.73 5.11 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.47 7.81 6 L 9.18 5.06 0.00 1.71 1.65 0.94 0.73 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 7 Q 8.79 5.18 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 8 S 9.39 4.90 0.00 4.15 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.50 4.48 0.00 3.92 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.08 4.76 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.46 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.01 3.96 0.00 1.97 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 2.21 2.31 0.00 13 I 7.87 5.57 1.80 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 1.37 1.14 0.99 0.00 0.00 14 F 9.06 4.81 0.00 3.01 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 15 E 8.98 5.02 0.00 1.89 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 2.28 2.35 0.00 16 V 8.39 4.50 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 0.83 0.00 0.00 0.97 0.00 0.00 17 D 8.46 4.93 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.35 3.62 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 0.84 0.00 0.00 0.93 0.00 0.00 19 E 9.30 4.00 0.00 1.90 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 2.30 2.37 0.00 20 I 7.60 3.94 1.99 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 1.54 0.73 0.92 0.00 0.00 21 A 8.39 4.05 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 22 K 7.99 4.00 0.00 1.91 2.08 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 Q 7.77 4.30 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.50 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 24 S 7.66 4.54 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.33 3.62 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 26 T 7.54 3.76 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 0.89 0.00 0.00 27 I 7.62 3.74 1.98 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 1.36 0.90 0.91 0.00 0.00 28 K 8.13 3.90 0.00 1.94 1.93 0.00 1.94 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.43 7.81 29 T 8.16 3.96 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 30 M 7.84 4.05 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 31 L 7.53 4.23 0.00 1.75 1.73 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.99 4.49 0.00 2.19 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 33 D 8.69 4.63 0.00 2.72 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 34 L 8.57 4.50 0.00 1.78 1.65 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.95 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 M 7.25 4.44 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 *43 D 7.64 5.09 0.00 2.69 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 P 0.00 4.76 0.00 1.96 2.04 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 V 8.58 3.57 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 0.95 0.00 0.00 1.02 0.00 0.00 46 P 0.00 4.67 0.00 2.02 2.04 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 47 L 8.40 5.09 0.00 1.89 1.76 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.30 0.00 2.15 2.21 0.00 3.99 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 49 N 7.85 4.47 0.00 1.44 1.89 0.00 0.00 6.62 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 50 V 7.60 4.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.23 0.00 0.00 51 N 8.85 5.02 0.00 3.19 2.98 0.00 0.00 6.62 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.93 4.32 1.65 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 53 A 7.99 3.98 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 54 I 7.83 3.68 1.90 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 1.67 0.90 0.98 0.00 0.00 55 L 7.94 3.89 0.00 1.88 1.23 0.90 0.21 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 56 K 7.59 3.58 0.00 2.02 2.02 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.70 7.81 57 K 7.75 4.18 0.00 2.08 2.00 0.00 1.84 0.00 0.00 1.53 0.00 0.00 2.51 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.71 1.54 7.81 58 V 8.21 3.77 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 1.17 0.00 0.00 1.01 0.00 0.00 59 I 8.18 3.77 1.84 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.95 0.00 0.00 60 Q 8.16 4.04 0.00 2.48 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 61 W 8.98 3.86 0.00 3.17 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.60 4.34 0.00 3.14 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 63 T 8.18 3.90 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 1.14 0.00 0.00 64 H 7.68 3.51 0.00 1.96 2.34 0.00 5.90 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.31 5.35 0.00 2.44 2.81 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.59 3.92 0.00 1.79 1.91 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.30 7.81 67 D 7.64 4.59 0.00 2.55 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.35 4.46 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 I 8.12 4.23 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 1.04 0.00 0.00 86 P 0.00 4.49 0.00 2.37 2.13 0.00 3.90 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 2.27 2.26 0.00 87 V 8.35 3.70 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 1.15 0.00 0.00 0.99 0.00 0.00 88 W 8.28 4.05 0.00 3.44 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 89 D 8.52 4.62 0.00 3.16 3.06 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 90 Q 8.03 4.08 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.84 0.00 91 E 8.53 4.03 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 92 F 7.95 3.82 0.00 1.82 3.05 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 93 L 8.31 4.25 0.00 1.64 1.63 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.35 4.32 0.00 1.91 1.66 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.58 7.81 95 V 6.73 4.49 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 0.68 0.00 0.00 0.85 0.00 0.00 96 D 8.22 4.57 0.00 2.89 2.78 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 97 Q 8.85 4.19 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 98 G 8.09 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 99 T 8.42 3.88 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 1.13 0.00 0.00 100 L 7.93 3.91 0.00 1.80 1.90 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.72 3.99 0.00 3.20 3.19 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 0.00 102 E 8.58 4.15 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 103 L 8.27 3.97 0.00 1.77 1.64 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.74 3.42 1.59 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 1.40 1.02 0.72 0.00 0.00 105 L 7.50 3.83 0.00 1.82 1.68 1.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.35 4.49 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 0.00 107 A 8.79 3.78 1.21 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 0.00 0.00 108 N 8.08 4.15 0.00 2.90 2.97 0.00 0.00 6.84 6.93 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 0.00 109 Y 8.74 4.25 0.00 2.75 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 0.00 110 L 8.74 3.79 0.00 1.65 1.55 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.80 4.47 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.04 4.62 1.77 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 1.18 0.66 0.94 0.00 0.00 113 K 8.55 3.85 0.00 1.85 1.85 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.62 7.81 114 G 8.15 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 0.00 115 L 7.11 2.64 0.00 0.27 0.96 0.65 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.78 3.88 0.00 1.85 1.65 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.86 4.25 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.34 3.72 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 119 T 7.60 3.84 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 120 C 7.81 4.10 0.00 2.89 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 0.00 121 K 8.15 4.05 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.47 1.67 7.81 122 T 7.99 3.91 4.47 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 1.24 0.00 0.00 123 V 7.89 3.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 124 A 8.14 4.05 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 0.00 125 N 8.37 4.42 0.00 2.89 2.93 0.00 0.00 7.11 7.20 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 0.00 126 M 7.75 4.26 0.00 2.07 2.59 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.62 0.00 127 I 7.93 3.99 2.11 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 1.87 1.64 0.99 0.00 0.00 128 K 7.38 3.99 0.00 1.95 1.78 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.75 7.81 129 G 9.06 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 0.00 0.00 0.00 0.00 130 K 7.08 4.06 0.00 1.94 1.74 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.43 7.81 131 T 8.15 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 1.26 0.00 0.00 132 P 0.00 4.25 0.00 2.20 2.21 0.00 3.60 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 2.11 2.18 0.00 133 E 8.08 3.90 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 134 E 7.89 3.98 0.00 2.19 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 2.31 2.35 0.00 135 I 7.78 3.81 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 1.16 0.00 0.00 136 R 7.98 4.02 0.00 2.02 2.18 0.00 3.19 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 137 K 8.32 3.85 0.00 1.89 1.73 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.66 7.81 138 T 8.09 3.56 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 1.05 0.00 0.00 139 F 7.75 5.21 0.00 3.13 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 0.00 140 N 7.78 4.21 0.00 2.80 2.81 0.00 0.00 6.89 7.43 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 0.00 141 I 8.32 4.59 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.93 0.00 0.00 142 K 8.53 3.98 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 143 N 8.49 4.61 0.00 2.77 2.79 0.00 0.00 7.12 8.47 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 0.00 144 D 8.11 4.43 0.00 2.22 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 0.00 145 F 7.82 4.98 0.00 3.37 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.79 4.72 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 1.25 0.00 0.00 147 E 8.75 3.96 0.00 2.02 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 2.42 2.40 0.00 148 E 8.09 3.84 0.00 2.04 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 2.35 2.39 0.00 149 E 8.38 4.02 0.00 2.39 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 2.42 2.43 0.00 150 E 8.01 3.83 0.00 1.91 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 1.97 2.47 0.00 151 A 7.31 3.96 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 0.00 152 Q 7.70 3.86 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 153 V 7.79 3.71 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 0.96 0.00 0.00 0.58 0.00 0.00 154 R 7.75 3.94 0.00 1.98 2.08 0.00 3.11 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 155 K 7.91 4.04 0.00 2.01 1.95 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.62 7.81 156 E 9.13 4.44 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 157 N 7.78 5.00 0.00 2.59 2.60 0.00 0.00 6.98 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 8.37 4.03 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 159 W 8.35 4.43 0.00 3.58 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 0.00 160 C 6.29 3.34 0.00 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.