NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2679 8.3444 121.7152 55.4410 30.2434 174.5129 4 L 3.9790 8.5025 127.0821 53.4477 42.9188 175.2791 5 T 4.6065 8.9369 117.1501 60.1022 73.3673 175.0563 6 E 3.9537 8.5087 121.1432 59.4350 29.3708 179.3235 7 E 3.8467 8.0088 118.8485 59.3297 29.7431 178.3872 8 Q 3.4858 7.7902 117.9972 59.1019 28.7704 178.9999 9 I 3.6746 7.6298 118.9790 64.0044 38.0244 177.7662 10 A 4.0353 8.0324 121.7324 55.1643 18.1165 179.5250 11 E 3.9798 8.1629 117.3181 59.5455 29.4502 179.5879 12 F 4.7854 8.1115 118.2114 60.6199 38.9313 177.8648 13 K 4.3813 8.8908 118.6329 59.6777 31.9331 178.9252 14 E 4.0118 8.5129 119.2888 59.2081 29.3548 178.6670 15 A 4.1614 8.5549 120.8816 55.3422 18.5083 179.1823 16 F 3.1078 8.7448 119.5244 61.4392 39.1386 177.2725 17 S 4.1652 8.4055 111.8401 61.3647 62.2232 175.7368 18 L 4.0392 7.7036 121.0356 57.7148 41.3550 179.1441 19 F 4.2692 7.5767 116.8198 59.1217 40.3460 176.5043 20 D 4.7821 7.7471 121.3561 52.2064 38.7054 176.5933 21 K 4.0314 8.1555 123.1723 58.4495 32.7783 177.7035 22 D 4.6237 8.3967 116.2357 52.3164 39.5907 176.2947 23 G 4.1044 7.4655 107.2048 46.8401 0.0000 174.6525 24 D 4.4634 8.5682 120.4372 54.4051 40.2223 176.9225 25 G 4.1443 8.0590 105.6789 45.2615 0.0000 173.2885 26 T 5.2273 8.2954 108.7574 59.9973 72.4762 173.3321 27 I 4.7325 8.8747 123.8199 59.8873 39.8279 175.6649 28 T 4.7930 8.9891 118.1355 60.3485 71.0319 176.0115 29 T 3.8939 8.5908 112.6744 64.7540 68.3072 176.5668 30 K 3.9611 7.9340 121.0382 60.0642 32.5986 178.7846 31 E 3.8527 8.0016 119.9355 58.9166 29.1193 179.5434 32 L 4.4450 8.0178 118.1529 57.7207 41.8028 179.4018 33 G 3.8194 7.8924 104.3179 48.3232 0.0000 175.2415 34 T 4.0052 8.4126 117.9154 66.3787 68.8980 176.4477 35 V 3.2958 7.6512 117.6080 64.9361 31.5656 177.2502 *37 R 4.5311 8.0831 116.7944 56.6345 31.9129 176.3702 38 S 4.3249 7.9082 111.7399 60.0243 63.5180 175.3179 39 L 4.1245 7.8303 119.3050 54.7844 41.7736 176.4877 40 G 3.7810 7.9488 105.1149 46.4215 0.0000 173.6483 41 Q 4.6549 7.6263 115.5918 54.1684 33.5945 175.3155 42 N 5.2571 8.3614 115.2718 51.3756 39.0630 172.9663 43 P 4.6894 0.0000 0.0000 62.4213 33.2246 177.6015 44 T 4.3388 8.3794 111.7191 60.9407 71.3669 175.7075 45 E 3.9028 8.7607 121.5027 59.6879 29.4453 179.4206 46 A 3.9653 8.0156 119.9919 55.4747 18.2323 179.4078 47 E 3.9393 7.6594 115.4367 59.3724 29.5765 179.2971 48 L 4.1228 7.8598 118.1196 58.0276 42.0016 179.0507 49 Q 4.1608 8.5809 119.6478 59.1031 28.8912 178.6769 50 D 4.5887 8.2771 118.4572 54.6166 40.7478 178.5360 *52 I 4.0440 7.7147 120.6856 61.5992 39.0207 177.6813 53 N 4.3905 8.3133 116.4756 56.6022 38.5460 176.5505 54 E 4.1183 8.1825 116.6569 58.3818 29.6120 177.8849 55 V 4.2983 7.3948 108.4172 60.9587 33.5386 176.2764 56 D 4.7701 8.5403 121.8823 53.1790 39.0721 176.1571 57 A 4.0125 8.1372 125.9069 54.6384 18.9395 178.6561 58 D 4.5454 8.2766 112.1856 53.0553 39.8178 176.3700 59 G 4.0577 7.5786 107.5034 46.7907 0.0000 173.7135 60 N 4.6249 9.0339 114.8443 52.1281 37.7561 175.4759 61 G 4.0352 8.6593 108.9746 45.1808 0.0000 173.1373 62 T 4.7063 7.5639 107.6019 59.8777 72.3115 173.3854 63 I 4.8155 8.6068 122.5592 59.9201 39.2744 175.8650 64 D 5.3092 9.0411 127.4648 51.8924 42.3465 177.0413 65 F 3.6167 8.9023 119.3900 61.1103 39.0708 175.1222 66 P 4.2311 0.0000 0.0000 66.0180 30.7966 178.0828 67 E 3.9441 7.9637 117.4152 58.9653 29.4105 178.6804 68 F 4.2398 8.0800 119.9229 61.3139 39.5418 176.8404 69 L 3.7222 7.4314 117.2752 57.2752 42.8431 179.3516 70 T 3.9884 7.6069 116.4712 63.7074 64.0604 174.3161 *73 A 4.1208 7.7113 125.1334 51.9016 21.1902 178.8516 74 R 4.1124 7.6155 113.8822 59.0988 30.1639 179.7832 75 K 3.7953 7.8093 114.5342 57.0679 31.5903 178.3244 *77 K 3.9789 7.9888 119.2023 55.9607 33.5361 175.3005 78 D 4.8794 7.7110 115.2207 54.5048 41.7924 174.6906 79 T 4.7158 7.6162 110.6964 60.2323 70.6073 172.5159 80 D 4.8693 8.2211 124.1601 52.2627 41.5342 177.8419 81 S 4.2269 8.7821 117.3819 61.9968 62.9600 176.2305 82 E 3.8867 8.2511 121.5176 59.8082 29.3651 178.6659 83 E 4.0384 8.5314 118.7382 59.2457 29.6821 178.7345 84 E 4.0701 7.8370 118.4617 59.3443 29.5551 179.2570 85 I 3.9590 8.4474 120.2879 64.5195 37.2351 178.3786 86 R 4.1331 8.2893 119.5312 59.5493 29.6713 178.1457 87 E 3.9624 8.2170 117.8098 59.1315 29.8673 178.2673 88 A 4.2343 8.6283 121.3141 55.2564 18.4893 179.2093 89 F 3.2876 8.9297 119.5033 61.4872 39.1427 177.5602 90 R 3.8214 7.9081 116.4704 59.0748 29.8504 178.8149 91 V 3.5147 7.1877 117.0591 65.9130 31.4946 177.7634 92 F 4.3921 7.4496 115.7842 59.4839 40.6003 176.6984 93 D 4.4108 7.7387 119.7846 51.9372 37.5369 175.8374 94 K 3.7159 7.9042 125.0829 59.4139 32.5324 176.9268 95 D 4.5217 8.5847 114.6492 52.8784 39.4278 176.4752 96 G 3.9536 8.0255 107.2389 46.8071 0.0000 174.1112 97 N 4.6210 8.6566 114.6784 52.6964 37.0888 176.2144 98 G 4.0358 9.5999 109.0301 45.5203 0.0000 172.5970 99 Y 5.2223 8.1877 116.7584 56.1923 41.5215 175.3503 100 I 4.3312 9.1105 126.5152 60.5745 38.0593 176.0680 101 S 4.6685 9.3534 123.0112 57.4963 64.4979 175.6024 102 A 3.9457 8.6951 121.5509 55.2243 18.1335 179.7012 103 A 3.8139 7.9009 118.7846 55.2190 18.4402 179.4396 104 E 3.8126 8.0823 117.0101 59.5820 29.3807 179.3946 105 L 4.0258 7.6502 118.7826 58.0475 42.1937 178.5891 106 R 4.0706 8.0373 117.9510 59.9743 30.4737 177.9704 107 H 4.4865 8.7107 116.2892 58.6318 28.5617 178.3266 108 V 3.7656 8.4375 118.8460 63.7382 31.1823 177.7013 *110 T 4.2254 7.9121 115.0304 62.8127 70.2930 174.7575 111 N 4.4925 7.8776 118.6303 55.4392 39.1489 175.5486 112 L 4.1584 8.0373 116.2993 54.6899 41.5971 176.8726 113 G 4.0981 8.2868 113.5897 43.4989 0.0000 173.0136 114 E 3.7345 7.6327 129.7433 54.4015 28.8639 177.4573 115 K 4.1186 8.4849 124.9614 56.8859 32.7257 176.6279 116 L 4.9564 8.1571 123.6832 52.3118 44.9871 177.3912 117 T 4.1739 9.3181 113.5870 61.4984 70.8305 175.4031 118 D 4.3914 8.6390 121.4929 57.5761 40.7943 178.8674 119 E 3.9210 8.0964 119.2237 59.2384 29.5445 178.3345 120 E 3.9309 7.6750 117.3362 59.5458 29.6473 179.3436 121 V 3.7383 7.3416 116.2841 66.2498 31.8643 177.4800 122 D 4.5510 8.2445 118.5978 57.0475 40.5471 178.7961 123 E 4.2760 8.5501 119.2903 56.3342 29.5941 178.7624 *125 I 4.0498 7.7249 118.5745 60.9703 39.2416 177.8694 126 R 3.9052 8.1856 118.9212 59.5607 29.8399 177.7261 127 E 4.0417 8.2962 115.4457 58.5210 29.5096 177.6508 128 A 4.3804 7.7631 119.2891 52.4697 19.9792 176.8743 129 D 4.7411 7.9539 115.6312 53.4907 39.6905 176.1671 130 I 3.8497 8.2814 125.7038 64.2296 37.3953 177.4163 131 D 4.5136 8.4589 116.4178 53.1065 39.6054 176.0425 132 G 3.9076 7.6691 107.8702 47.3609 0.0000 174.0388 133 D 4.6535 8.2888 114.1227 52.4894 40.0385 177.3739 134 G 3.9489 9.2626 107.8641 45.9413 0.0000 173.0586 135 Q 4.7898 8.1643 116.6496 54.1188 33.6620 174.7737 136 V 4.7125 8.6150 120.8057 61.4392 33.5513 175.1091 137 N 5.1411 9.6230 127.1184 51.3197 39.3405 175.6118 138 Y 3.2894 8.3554 118.4133 60.6264 38.5536 177.4031 139 E 3.6398 8.0656 119.5548 59.4096 29.5216 178.5416 140 E 4.0071 8.6681 117.7825 59.2054 29.5621 178.8724 141 F 4.2621 8.1678 120.0497 61.2228 39.6260 177.0109 142 V 3.5872 7.9641 117.3766 65.4441 32.4199 177.1057 143 Q 4.1635 8.0084 119.5492 56.4986 24.7976 177.3694 *146 T 4.2308 7.5380 114.0240 62.2909 70.9834 174.3384 147 A 4.1184 7.4759 129.0197 52.6987 18.3026 177.5722 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 Q 8.34 4.27 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 4 L 8.50 3.98 0.00 1.81 1.62 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.94 4.61 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 1.21 0.00 0.00 6 E 8.51 3.95 0.00 2.01 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 2.39 2.36 0.00 7 E 8.01 3.85 0.00 2.03 1.88 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 2.32 2.38 0.00 8 Q 7.79 3.49 0.00 2.13 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 9 I 7.63 3.67 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 1.00 0.00 0.00 10 A 8.03 4.04 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 11 E 8.16 3.98 0.00 1.89 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 2.31 2.51 0.00 12 F 8.11 4.79 0.00 3.49 3.23 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 0.00 0.00 0.00 0.00 13 K 8.89 4.38 0.00 2.02 1.92 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.72 7.81 14 E 8.51 4.01 0.00 2.26 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 0.00 2.39 2.48 0.00 15 A 8.55 4.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.74 3.11 0.00 3.03 3.38 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 17 S 8.41 4.17 0.00 4.11 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 18 L 7.70 4.04 0.00 1.81 1.38 1.04 0.80 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 19 F 7.58 4.27 0.00 2.76 2.86 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 20 D 7.75 4.78 0.00 2.22 2.46 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 21 K 8.16 4.03 0.00 1.76 1.83 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.37 7.81 22 D 8.40 4.62 0.00 2.77 2.76 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 23 G 7.47 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 24 D 8.57 4.46 0.00 2.84 2.93 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 25 G 8.06 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.30 5.23 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 1.30 0.00 0.00 27 I 8.87 4.73 1.75 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.12 0.80 0.00 0.00 28 T 8.99 4.79 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 29 T 8.59 3.89 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 30 K 7.93 3.96 0.00 2.01 2.11 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.53 7.81 31 E 8.00 3.85 0.00 2.22 2.33 0.00 0.00 0.00 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 2.37 0.00 32 L 8.02 4.45 0.00 1.83 1.78 0.86 0.50 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 33 G 7.89 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 0.00 0.00 0.00 34 T 8.41 4.01 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 1.18 0.00 0.00 35 V 7.65 3.30 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 0.30 0.00 0.00 0.70 0.00 0.00 *37 R 8.08 4.53 0.00 2.09 2.11 0.00 3.10 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 38 S 7.91 4.32 0.00 4.02 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 39 L 7.83 4.12 0.00 1.62 1.72 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.95 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 41 Q 7.63 4.65 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 42 N 8.36 5.26 0.00 2.65 2.72 0.00 0.00 7.00 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 43 P 0.00 4.69 0.00 2.19 2.05 0.00 3.84 0.00 0.00 3.67 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 44 T 8.38 4.34 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 1.21 0.00 0.00 45 E 8.76 3.90 0.00 2.00 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 2.41 2.34 0.00 46 A 8.02 3.97 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 47 E 7.66 3.94 0.00 2.04 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 2.34 2.35 0.00 48 L 7.86 4.12 0.00 1.81 1.74 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.58 4.16 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 50 D 8.28 4.59 0.00 2.82 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 *52 I 7.71 4.04 1.86 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 1.41 0.48 0.95 0.00 0.00 53 N 8.31 4.39 0.00 2.86 2.91 0.00 0.00 7.20 7.33 0.00 0.00 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 E 8.18 4.12 0.00 1.94 1.98 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 2.32 2.54 0.00 55 V 7.39 4.30 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 0.64 0.00 0.00 0.92 0.00 0.00 56 D 8.54 4.77 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.14 4.01 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 58 D 8.28 4.55 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.58 4.06 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 0.00 60 N 9.03 4.62 0.00 2.83 2.98 0.00 0.00 6.98 6.54 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 61 G 8.66 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 62 T 7.56 4.71 4.42 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 1.23 0.00 0.00 63 I 8.61 4.82 1.91 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 1.29 0.87 1.08 0.00 0.00 64 D 9.04 5.31 0.00 2.80 2.90 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 65 F 8.90 3.62 0.00 2.68 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 66 P 0.00 4.23 0.00 2.32 2.35 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.10 0.00 67 E 7.96 3.94 0.00 2.16 2.18 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 2.42 2.58 0.00 68 F 8.08 4.24 0.00 3.24 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 80 D 8.22 4.87 0.00 2.88 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 81 S 8.78 4.23 0.00 3.92 3.99 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 82 E 8.25 3.89 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 83 E 8.53 4.04 0.00 2.52 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 2.33 2.42 0.00 84 E 7.84 4.07 0.00 2.32 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 2.38 2.70 0.00 85 I 8.45 3.96 2.22 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 1.18 0.00 0.00 86 R 8.29 4.13 0.00 1.99 2.13 0.00 2.93 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.00 87 E 8.22 3.96 0.00 2.05 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 2.36 2.41 0.00 88 A 8.63 4.23 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 0.00 0.00 0.00 0.00 0.00 89 F 8.93 3.29 0.00 2.95 3.21 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 90 R 7.91 3.82 0.00 1.97 1.93 0.00 3.22 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 91 V 7.19 3.51 1.73 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 0.36 0.00 0.00 0.85 0.00 0.00 92 F 7.45 4.39 0.00 2.85 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 93 D 7.74 4.41 0.00 1.78 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 0.00 0.00 0.00 0.00 94 K 7.90 3.72 0.00 1.72 1.99 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 95 D 8.58 4.52 0.00 2.81 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 96 G 8.03 3.95 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 0.00 97 N 8.66 4.62 0.00 2.96 3.03 0.00 0.00 7.01 6.28 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 98 G 9.60 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 99 Y 8.19 5.22 0.00 2.83 2.90 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 0.00 100 I 9.11 4.33 1.99 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.40 0.89 0.00 0.00 101 S 9.35 4.67 0.00 3.89 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 0.00 102 A 8.70 3.95 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 0.00 103 A 7.90 3.81 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 0.00 104 E 8.08 3.81 0.00 2.19 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 2.31 2.30 0.00 105 L 7.65 4.03 0.00 1.65 1.85 0.90 1.02 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 0.00 106 R 8.04 4.07 0.00 2.12 2.04 0.00 3.47 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 107 H 8.71 4.49 0.00 3.30 3.31 0.00 5.69 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 0.00 108 V 8.44 3.77 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 1.00 0.00 0.00 1.05 0.00 0.00 *110 T 7.91 4.23 4.39 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 1.21 0.00 0.00 111 N 7.88 4.49 0.00 2.98 2.93 0.00 0.00 7.19 7.42 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 0.00 112 L 8.04 4.16 0.00 1.71 1.84 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.29 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 0.00 114 E 7.63 3.73 0.00 2.13 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 2.32 2.35 0.00 115 K 8.48 4.12 0.00 1.89 1.91 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 116 L 8.16 4.96 0.00 1.63 1.65 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 117 T 9.32 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 1.22 0.00 0.00 118 D 8.64 4.39 0.00 2.79 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 0.00 119 E 8.10 3.92 0.00 2.03 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 2.40 0.00 120 E 7.68 3.93 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 121 V 7.34 3.74 2.23 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 0.86 0.00 0.00 0.95 0.00 0.00 122 D 8.24 4.55 0.00 2.88 2.71 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 0.00 123 E 8.55 4.28 0.00 2.11 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 0.00 2.30 2.49 0.00 *125 I 7.72 4.05 2.06 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 1.50 0.72 0.96 0.00 0.00 126 R 8.19 3.91 0.00 1.86 2.13 0.00 3.26 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 1.65 1.63 0.00 127 E 8.30 4.04 0.00 2.06 1.98 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 2.34 2.38 0.00 128 A 7.76 4.38 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 0.00 129 D 7.95 4.74 0.00 2.76 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 0.00 130 I 8.28 3.85 1.97 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 1.63 0.92 0.91 0.00 0.00 131 D 8.46 4.51 0.00 2.82 2.81 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 0.00 0.00 0.00 132 G 7.67 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 0.00 133 D 8.29 4.65 0.00 2.82 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 0.00 134 G 9.26 3.95 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 0.00 135 Q 8.16 4.79 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 136 V 8.62 4.71 2.23 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 1.30 0.00 0.00 1.00 0.00 0.00 137 N 9.62 5.14 0.00 2.49 2.81 0.00 0.00 6.45 7.54 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 0.00 138 Y 8.36 3.29 0.00 2.23 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 0.00 139 E 8.07 3.64 0.00 2.00 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 2.40 2.33 0.00 140 E 8.67 4.01 0.00 2.18 2.23 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 0.00 2.37 2.54 0.00 141 F 8.17 4.26 0.00 3.35 3.23 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 0.00 0.00 0.00 0.00 142 V 7.96 3.59 1.87 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 0.70 0.00 0.00 -0.08 0.00 0.00 143 Q 8.01 4.16 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.27 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 *146 T 7.54 4.23 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 1.17 0.00 0.00 147 A 7.48 4.12 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.