NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4488 8.1476 120.3420 55.3421 33.6912 175.2291 2 N 5.1106 8.2658 120.7233 50.8787 40.6452 174.4861 3 I 3.5776 9.1569 120.2653 63.9217 38.3598 179.0176 4 S 4.0628 8.0967 115.8461 61.7239 62.7380 175.9421 5 D 4.3603 8.5804 121.6720 57.5630 40.4959 179.2159 6 V 3.4591 7.6062 117.8596 65.6810 31.3420 178.0097 7 A 4.0674 7.7444 121.8285 54.6270 18.0780 179.6537 8 K 3.8425 7.7829 115.5279 59.8590 32.2060 179.3911 9 I 3.8861 7.9724 119.5168 63.9737 37.1354 177.8191 10 T 4.2707 8.1731 109.0469 61.5746 69.3759 176.1474 11 G 3.9727 8.7794 109.8672 45.3400 0.0000 173.9079 12 L 4.2800 7.4356 119.8051 54.4886 42.6115 176.6777 13 T 4.2421 8.0722 111.6728 61.0641 71.4758 175.9373 14 S 4.1302 8.5440 117.9050 61.8411 62.7605 177.2164 15 K 3.9535 8.0135 120.3183 59.3246 31.8082 179.0213 16 A 3.6995 7.7461 120.4101 55.0888 18.3944 179.5371 17 I 3.8364 7.6639 118.2774 64.9082 37.2107 178.8655 18 R 4.0173 8.1459 118.6410 59.1237 29.7999 178.8728 19 F 4.0852 8.4666 120.8383 61.6717 39.3098 176.8537 20 Y 4.2520 8.1611 116.6905 60.9430 37.6014 178.2798 21 E 3.9561 8.2895 120.2453 59.2914 29.5939 178.4202 22 E 3.9106 8.2916 118.5707 59.1306 29.7908 178.3095 23 K 4.1158 7.9152 116.0910 56.1762 32.2600 177.4338 24 G 3.9236 7.7622 107.1631 46.5492 0.0000 174.9939 25 L 4.2306 8.1613 120.8498 55.6448 42.0422 177.2088 26 V 4.6795 7.3061 109.9867 58.9645 35.3750 175.2471 27 T 4.0004 9.4588 119.4899 62.8651 68.6237 173.2458 28 P 4.3974 0.0000 0.0000 62.2379 31.7878 174.2151 29 P 4.1033 0.0000 0.0000 62.9668 32.4177 175.4149 30 M 4.4304 8.1813 120.5983 54.6558 34.1929 175.2506 31 R 5.0314 8.1580 118.5589 54.4209 32.9969 176.6902 32 S 4.4541 8.7604 118.4873 57.1257 64.2292 174.6674 33 E 3.9198 8.6638 120.7773 58.9614 29.1859 177.0364 34 N 4.4781 7.8051 114.2313 53.4761 38.9540 176.0319 35 G 3.6811 8.6346 107.4524 44.9393 0.0000 172.8266 36 Y 4.7944 7.1395 117.2937 56.0466 40.2972 175.2757 37 R 4.4670 8.8654 122.1752 57.3414 30.7685 176.0697 38 T 5.0150 8.7881 113.6844 60.1430 72.2859 172.4407 39 Y 5.0769 9.2316 120.6236 56.5614 42.4932 174.0684 40 T 4.8058 8.6056 109.4783 59.1591 72.1578 174.4477 41 Q 4.0260 8.6743 120.7322 59.3003 28.7240 177.7594 42 Q 4.0357 7.9009 120.8687 59.7044 29.0220 178.2688 43 H 4.3224 8.1580 116.6246 58.7286 28.7179 177.8237 44 L 3.9699 7.8758 120.3614 57.8489 41.4848 179.1474 45 N 4.1788 8.4016 116.5446 56.2789 38.4967 177.2560 46 E 3.6905 8.0486 119.8295 59.4986 29.5121 179.5758 47 L 3.9182 8.2519 119.2622 57.9441 41.6488 179.7484 48 T 3.7833 8.2448 116.2103 66.4706 68.3397 176.4227 49 L 3.8111 7.9801 122.6026 58.0582 42.0078 179.0875 50 L 3.7651 7.8148 118.9295 57.5322 41.5290 179.3836 51 R 3.8872 8.1115 118.9244 59.7221 30.1832 178.6964 52 Q 4.0272 8.1605 117.5637 58.7864 28.7435 178.4908 53 A 4.2244 8.2149 122.0536 55.2153 18.4214 179.9624 54 R 4.1741 8.1115 116.7032 59.5670 29.9421 179.1392 55 Q 4.0695 7.8831 116.7478 58.9894 28.8483 178.7523 56 V 3.9735 7.5239 110.0774 61.2150 31.9791 176.5094 57 G 3.9454 7.7764 106.1431 45.4368 0.0000 174.8481 58 F 4.4310 7.7582 119.2295 57.3298 39.7126 176.3293 59 N 4.7927 9.4675 123.4764 52.4424 39.9133 175.6453 60 L 4.0691 8.4765 118.8916 58.3485 41.8195 178.9005 61 E 3.9471 8.2573 118.7152 59.3981 29.7635 178.4698 62 E 4.2835 9.4175 120.6884 59.1258 29.6836 179.5744 63 S 4.0533 8.1841 115.1510 61.4728 62.8417 177.0730 64 G 3.5772 8.1569 108.4839 47.8126 0.0000 175.7178 65 E 4.0115 8.3106 120.8567 59.0245 29.3900 179.4490 66 L 4.0223 7.6384 119.1032 57.5383 41.5929 179.6350 67 V 3.6460 7.5307 117.9517 65.8291 31.2203 177.8372 68 N 4.3409 8.0014 115.4396 56.3956 38.7203 176.9411 69 L 4.1085 8.1103 120.4361 57.8071 41.4756 179.3639 70 F 4.1580 8.1528 119.5018 61.3586 39.4574 176.4624 71 N 4.4377 8.1681 113.7154 53.5315 38.9568 174.6572 72 D 4.5420 7.4556 120.9394 52.2097 40.7538 174.9897 73 P 4.2644 0.0000 0.0000 64.9758 31.5004 177.2210 74 Q 4.6473 8.3899 117.3827 55.3784 29.2007 176.2001 75 R 4.0911 7.5771 113.5778 56.3304 30.5801 175.2820 76 H 4.9554 8.4227 116.7206 54.0995 30.3863 176.2470 77 S 4.2158 8.7319 119.9651 61.1812 62.7127 176.3235 78 A 4.0626 8.0174 124.3517 55.2063 18.1988 179.1371 79 D 4.3071 8.1426 117.4244 57.3944 40.8797 179.1620 80 V 3.6106 7.7103 118.4420 65.7461 31.5951 177.8512 81 K 3.9681 8.5023 119.9356 59.4477 32.0730 178.7309 82 R 3.8989 8.2722 119.1711 59.6095 30.0400 178.7516 83 R 4.0540 8.0187 117.6529 59.5341 29.9694 179.2704 84 T 4.1255 8.2367 115.6386 66.7598 68.5770 176.8941 85 L 4.0188 8.2437 121.0235 57.6990 41.4282 179.4699 86 E 3.9808 8.2228 118.7456 59.2179 29.4155 179.2312 87 K 3.7587 8.0553 119.7499 59.2092 32.1362 178.9889 88 V 3.5030 7.9972 118.5048 66.0499 31.6090 177.8022 89 A 3.9952 7.8870 120.2252 55.2572 18.1299 179.5025 90 E 3.9081 7.8702 117.0142 59.6984 29.4616 179.6645 91 I 3.7625 7.8115 119.7927 64.2476 37.0828 178.3969 92 E 3.9594 8.2563 119.7031 59.4090 29.2943 179.5848 93 R 4.1161 7.9195 117.8438 59.4699 30.1124 178.5758 94 H 4.2183 8.3819 118.0821 59.3070 29.8163 177.3608 95 I 3.6576 8.0854 121.9265 64.4845 36.9818 178.2459 96 E 3.9718 8.3132 119.3533 59.4551 29.3419 179.3244 97 E 3.9936 8.3270 118.6155 59.4417 29.4419 179.4501 98 L 4.0577 7.9982 119.0812 57.8377 41.6413 179.5708 99 Q 3.9784 8.3498 118.1364 58.6687 28.5417 178.7145 100 S 4.0944 7.9496 114.4899 61.5771 62.4406 176.0886 101 M 4.0776 7.9882 121.3055 58.2560 31.6808 178.7581 102 R 3.8775 8.3160 119.2103 59.5076 30.3135 178.2475 103 D 4.3650 8.2467 118.7925 57.3776 40.7918 178.6910 104 Q 3.9407 8.0827 119.9470 59.3080 29.1701 178.2793 105 L 4.0459 8.0760 119.9727 57.6894 41.4844 179.5563 106 L 4.0454 8.1513 118.9443 57.4659 41.3596 179.2028 107 A 3.9928 7.8787 120.0359 55.0571 18.4845 179.4451 108 L 4.0599 7.9625 117.2686 57.8483 41.6980 179.5498 109 A 3.9885 8.0142 120.6596 55.3740 18.1723 179.4531 110 N 4.3466 8.3924 113.3192 55.5051 38.6792 176.5819 111 A 4.3454 7.4910 120.2613 51.6429 19.3201 176.3193 112 C 4.4983 7.4622 118.9064 56.9916 32.5756 172.0410 113 P 4.2528 0.0000 0.0000 63.6869 31.8216 176.3427 114 G 3.6938 7.8250 106.1882 46.2936 0.0000 172.1331 *120 C 4.2138 7.4652 116.9074 58.7251 32.0004 172.4549 121 P 4.3879 0.0000 0.0000 64.8315 30.8465 178.8506 122 I 3.7467 7.5860 118.9792 64.6028 37.2593 178.2357 123 I 3.8041 7.6373 120.1260 64.1513 36.8026 177.9833 124 E 3.9457 7.7943 119.5856 59.3380 29.5432 178.2838 125 N 4.5419 7.7127 114.8468 55.8200 38.7883 177.1542 126 L 4.1812 7.7106 119.6029 56.7431 41.8262 177.6620 127 S 4.4926 7.9008 118.2934 58.5251 63.4512 173.7925 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 M 8.15 4.45 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 2 N 8.27 5.11 0.00 3.05 3.03 0.00 0.00 6.30 6.52 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 3 I 9.16 3.58 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.96 0.00 0.00 4 S 8.10 4.06 0.00 4.10 3.88 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 5 D 8.58 4.36 0.00 2.80 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 6 V 7.61 3.46 1.80 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 0.78 0.00 0.00 0.49 0.00 0.00 7 A 7.74 4.07 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 8 K 7.78 3.84 0.00 1.85 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.79 7.81 9 I 7.97 3.89 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.89 0.00 0.00 10 T 8.17 4.27 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 1.18 0.00 0.00 11 G 8.78 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.44 4.28 0.00 1.75 1.65 1.03 1.02 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 13 T 8.07 4.24 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 1.19 0.00 0.00 14 S 8.54 4.13 0.00 3.88 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 15 K 8.01 3.95 0.00 1.71 1.79 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.42 7.81 16 A 7.75 3.70 1.22 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 0.00 0.00 0.00 17 I 7.66 3.84 2.06 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.23 0.96 0.00 0.00 18 R 8.15 4.02 0.00 2.14 2.04 0.00 3.53 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 19 F 8.47 4.09 0.00 3.03 2.84 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 20 Y 8.16 4.25 0.00 3.24 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 21 E 8.29 3.96 0.00 2.17 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 2.33 2.34 0.00 22 E 8.29 3.91 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 23 K 7.92 4.12 0.00 1.70 1.69 0.00 1.65 0.00 0.00 1.31 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.68 0.62 7.81 24 G 7.76 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 0.00 0.00 0.00 25 L 8.16 4.23 0.00 1.80 1.69 1.08 1.10 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 26 V 7.31 4.68 2.26 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 0.76 0.00 0.00 1.06 0.00 0.00 27 T 9.46 4.00 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 1.24 0.00 0.00 28 P 0.00 4.40 0.00 2.16 2.07 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 29 P 0.00 4.10 0.00 1.41 1.33 0.00 3.80 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 1.84 2.10 0.00 30 M 8.18 4.43 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 31 R 8.16 5.03 0.00 1.59 1.73 0.00 3.14 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 32 S 8.76 4.45 0.00 4.04 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 33 E 8.66 3.92 0.00 1.94 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 2.29 2.34 0.00 34 N 7.81 4.48 0.00 2.87 2.97 0.00 0.00 7.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.63 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 36 Y 7.14 4.79 0.00 3.05 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 37 R 8.87 4.47 0.00 1.78 1.64 0.00 3.26 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 38 T 8.79 5.02 4.26 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 0.00 0.00 0.00 1.25 0.00 0.00 39 Y 9.23 5.08 0.00 2.75 2.92 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 40 T 8.61 4.81 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 41 Q 8.67 4.03 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 42 Q 7.90 4.04 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 43 H 8.16 4.32 0.00 3.61 3.61 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.88 3.97 0.00 1.95 1.71 0.96 0.79 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 45 N 8.40 4.18 0.00 2.71 2.56 0.00 0.00 7.08 8.44 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 46 E 8.05 3.69 0.00 2.25 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 2.42 2.58 0.00 47 L 8.25 3.92 0.00 1.68 1.70 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.24 3.78 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 1.14 0.00 0.00 49 L 7.98 3.81 0.00 1.35 1.60 0.76 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.81 3.77 0.00 1.57 1.08 0.38 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.11 3.89 0.00 1.87 2.03 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 52 Q 8.16 4.03 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 53 A 8.21 4.22 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 54 R 8.11 4.17 0.00 2.09 2.08 0.00 3.41 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 55 Q 7.88 4.07 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 56 V 7.52 3.97 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 0.84 0.00 0.00 1.22 0.00 0.00 57 G 7.78 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 58 F 7.76 4.43 0.00 3.17 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 59 N 9.47 4.79 0.00 3.02 3.05 0.00 0.00 6.78 6.50 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 60 L 8.48 4.07 0.00 1.82 1.87 1.23 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.26 3.95 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 2.40 2.42 0.00 62 E 9.42 4.28 0.00 2.25 2.26 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 0.00 2.45 2.55 0.00 63 S 8.18 4.05 0.00 4.04 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 64 G 8.16 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 65 E 8.31 4.01 0.00 2.17 1.99 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 2.32 2.59 0.00 66 L 7.64 4.02 0.00 1.73 1.52 0.68 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.53 3.65 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 1.07 0.00 0.00 0.88 0.00 0.00 68 N 8.00 4.34 0.00 2.91 2.86 0.00 0.00 7.08 7.45 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 69 L 8.11 4.11 0.00 1.83 1.73 0.90 1.03 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 70 F 8.15 4.16 0.00 2.97 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.17 4.44 0.00 2.74 2.80 0.00 0.00 6.99 7.48 0.00 0.00 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 D 7.46 4.54 0.00 2.74 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 73 P 0.00 4.26 0.00 2.03 2.04 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 74 Q 8.39 4.65 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 75 R 7.58 4.09 0.00 1.94 2.16 0.00 3.04 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 76 H 8.42 4.96 0.00 3.40 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.73 4.22 0.00 4.06 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 78 A 8.02 4.06 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 79 D 8.14 4.31 0.00 2.89 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 80 V 7.71 3.61 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 0.94 0.00 0.00 81 K 8.50 3.97 0.00 1.93 1.95 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 82 R 8.27 3.90 0.00 2.05 1.94 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 83 R 8.02 4.05 0.00 2.16 2.15 0.00 3.27 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 84 T 8.24 4.13 4.44 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 1.30 0.00 0.00 85 L 8.24 4.02 0.00 1.71 1.73 0.94 0.92 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 86 E 8.22 3.98 0.00 2.27 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 2.35 2.47 0.00 87 K 8.06 3.76 0.00 1.49 1.79 0.00 0.61 0.00 0.00 0.89 0.00 0.00 2.71 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.71 1.12 7.81 88 V 8.00 3.50 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 0.94 0.00 0.00 0.99 0.00 0.00 89 A 7.89 4.00 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 90 E 7.87 3.91 0.00 2.11 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 2.30 2.42 0.00 91 I 7.81 3.76 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 0.88 0.00 0.00 92 E 8.26 3.96 0.00 2.15 1.99 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 2.56 2.48 0.00 93 R 7.92 4.12 0.00 2.07 1.97 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 94 H 8.38 4.22 0.00 3.28 3.41 0.00 5.61 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 95 I 8.09 3.66 2.03 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 1.47 0.60 0.89 0.00 0.00 96 E 8.31 3.97 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 97 E 8.33 3.99 0.00 2.23 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 2.61 0.00 98 L 8.00 4.06 0.00 1.82 1.70 0.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.35 3.98 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 100 S 7.95 4.09 0.00 4.00 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 0.00 101 M 7.99 4.08 0.00 2.14 2.22 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 2.78 2.55 0.00 102 R 8.32 3.88 0.00 1.95 2.07 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 103 D 8.25 4.36 0.00 2.97 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 0.00 104 Q 8.08 3.94 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 105 L 8.08 4.05 0.00 1.73 1.70 0.92 0.51 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 0.00 106 L 8.15 4.05 0.00 1.92 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.88 3.99 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 0.00 108 L 7.96 4.06 0.00 1.88 1.72 0.92 0.83 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 0.00 109 A 8.01 3.99 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 0.00 110 N 8.39 4.35 0.00 2.74 2.89 0.00 0.00 7.03 7.28 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 0.00 111 A 7.49 4.35 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 0.00 112 C 7.46 4.50 0.00 2.94 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 0.00 113 P 0.00 4.25 0.00 2.22 2.16 0.00 3.96 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 1.98 1.96 0.00 114 G 7.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *120 C 7.47 4.21 0.00 2.99 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 0.00 121 P 0.00 4.39 0.00 2.19 2.08 0.00 3.64 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 2.30 2.17 0.00 122 I 7.59 3.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.15 0.91 0.00 0.00 123 I 7.64 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.54 0.91 0.00 0.00 124 E 7.79 3.95 0.00 2.03 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 2.35 0.00 125 N 7.71 4.54 0.00 2.85 2.85 0.00 0.00 7.10 7.73 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 0.00 126 L 7.71 4.18 0.00 1.61 1.72 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.90 4.49 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.