NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.2030 8.0549 120.3394 60.2429 33.3752 174.4770 2 L 4.8412 8.6012 130.2926 52.9784 41.4857 173.9648 3 S 4.2630 8.6101 118.2881 59.6070 66.4010 173.5813 4 A 3.9101 8.7967 122.7522 55.2766 17.4890 179.5576 5 A 4.0284 7.9970 117.8527 55.0344 18.0295 179.5010 6 D 4.3447 7.6124 115.8666 57.1383 41.0315 178.8040 7 K 4.0399 8.2510 119.8063 59.1851 32.0019 178.9050 8 T 4.0841 8.3360 116.7999 66.4991 68.0986 176.5687 9 N 4.3960 7.8140 117.8307 55.8755 38.4881 177.7995 10 V 3.5921 7.7976 119.7915 65.9768 31.6155 178.2726 11 K 3.9566 7.6173 116.6489 59.2672 31.6951 179.2848 12 A 3.9534 7.8354 120.8854 55.2687 18.5460 179.5119 13 A 4.0040 9.1163 120.2277 55.1928 18.3502 179.6563 14 W 4.1216 8.7768 127.1528 60.4590 30.5371 178.5242 15 S 3.9098 7.9456 114.2482 61.0319 62.2119 176.5286 16 K 4.0981 7.4640 120.8929 59.3839 32.0022 178.9209 17 V 3.6744 7.4364 118.0874 64.1072 31.4002 178.2235 18 G 3.8011 8.6600 105.5169 46.9265 0.0000 174.1997 19 G 3.9909 8.7494 108.2636 45.8171 0.0000 173.3890 20 H 5.2419 7.7032 113.7215 54.0801 29.4252 175.9833 21 A 4.0022 8.0017 123.8613 55.5388 17.4456 180.7415 22 G 3.5916 7.9299 103.3949 47.7603 0.0000 175.2114 23 E 4.0086 8.1046 120.5735 59.7688 29.4633 179.1282 24 Y 4.4428 7.9241 116.3310 61.0377 37.8485 178.4755 25 G 3.9680 9.2515 107.5821 48.4117 0.0000 174.7556 26 A 4.0909 9.2567 123.6990 55.1041 18.2587 178.9877 27 E 3.8894 8.7715 116.2557 59.3538 29.7722 179.1320 28 A 3.9584 8.1563 120.5038 55.2557 18.4579 179.4176 29 L 3.5179 7.5281 117.3307 58.0602 41.8943 179.3718 30 E 4.1207 8.2634 118.8924 59.5005 29.1651 178.8219 31 R 4.2254 8.1815 117.4625 58.2844 30.2353 178.0889 32 M 4.3336 7.7762 118.1174 57.7170 32.3241 178.2096 33 F 4.4806 7.9328 118.1222 60.5831 38.9336 177.6682 34 L 4.0134 7.5397 115.7720 57.9272 41.7420 178.9864 35 G 3.5887 7.8105 105.9695 47.9936 0.0000 173.9066 36 F 4.8305 8.2059 119.2696 53.9012 39.3679 173.3728 37 P 4.8495 0.0000 0.0000 65.0526 32.0480 178.7796 38 T 3.9307 8.3670 108.7328 65.3525 68.1651 175.9397 39 T 4.2506 8.0754 112.1010 64.9302 68.2889 176.1685 40 K 4.3710 8.7074 121.2247 59.0144 31.8132 178.7471 41 T 4.1009 8.1110 108.5145 63.6859 68.9998 174.9912 42 Y 4.1860 7.8808 118.6250 59.1023 38.3295 175.3358 43 F 4.8815 8.0185 118.5683 55.6682 39.5972 174.3046 44 P 4.3566 0.0000 0.0000 65.8505 31.8247 177.5990 45 H 4.8555 8.4483 111.8563 55.7097 28.5433 174.6282 46 F 4.9266 7.6705 117.2594 56.2880 41.9635 175.6694 47 D 4.4757 9.6569 128.2791 54.8161 39.0722 176.3997 48 L 4.1670 8.0410 125.0610 53.8839 41.2546 175.8675 49 S 4.5344 7.9472 117.5305 58.4266 64.2520 173.8616 *50 H 4.8139 7.9993 119.8074 57.6747 27.3058 172.5229 51 G 3.6979 9.3886 115.2670 44.6629 0.0000 173.3015 52 S 3.8861 8.7137 115.2626 58.6506 63.0193 174.8449 53 A 4.0338 8.6796 131.2037 54.5197 17.8765 178.9867 54 Q 3.7378 7.7445 118.2820 59.5034 29.5566 179.0455 55 V 4.0544 7.7515 120.3555 65.7785 30.7000 180.2369 56 K 4.3110 8.6087 119.1568 58.2866 33.1612 176.7502 57 A 4.7754 7.2607 122.4352 49.3665 15.9686 174.0471 58 H 4.6017 7.6259 127.0363 54.9850 35.7006 176.3282 59 G 3.5869 7.8893 108.4039 48.2698 0.0000 176.4879 60 K 4.3530 7.8337 125.2087 60.0104 31.6100 183.1451 61 K 4.3142 7.9065 123.4119 59.6944 31.8698 182.5646 62 V 3.9992 8.5776 119.4536 65.6977 31.4863 178.4122 63 G 3.8373 8.6925 105.9964 48.0566 0.0000 175.4803 64 D 4.5206 8.1460 120.9539 56.9376 40.4925 178.5296 65 A 3.9964 7.8675 121.4912 55.1553 18.3879 179.5245 66 L 4.0601 7.8454 116.7526 57.6545 41.7407 179.5061 67 T 3.6062 8.2813 115.3971 66.3179 68.7580 175.9307 68 L 4.0399 8.0838 122.0411 58.3869 42.1365 178.7917 69 A 4.0344 7.6339 119.9765 55.3097 17.9722 179.7271 70 V 3.3230 7.3078 115.7233 65.8567 31.5767 177.7107 71 G 4.0848 7.5547 101.9664 45.1659 0.0000 173.2645 72 H 4.9534 8.2343 117.0967 55.0879 30.5505 175.5235 73 L 4.0228 8.4482 122.0939 58.2754 41.4893 178.8156 74 D 4.3746 8.1345 119.0329 57.3533 40.9137 177.3505 75 D 4.4980 8.0842 121.1041 53.6029 42.5903 179.7929 76 L 4.5211 8.2941 126.7206 55.6574 42.4773 176.9148 77 P 4.2902 0.0000 0.0000 65.7692 31.3746 178.7906 78 G 3.6931 7.9858 103.4915 47.4181 0.0000 174.7162 79 A 4.3957 7.2393 119.7027 52.2835 18.7833 177.6128 80 L 4.7216 7.5352 114.6900 54.3522 44.8294 177.9613 81 S 4.6148 7.5168 116.0454 57.8483 61.5568 173.6372 82 D 4.7574 7.7889 120.2673 54.1076 44.5004 178.0016 83 L 4.0932 7.9814 119.9779 57.0203 40.9226 179.6654 84 S 4.0602 8.3867 115.8327 61.4521 62.7318 175.8752 85 N 4.4283 7.9348 118.4989 55.5716 38.2789 176.4234 86 L 3.9732 7.8769 122.2688 58.7224 42.3247 178.4190 87 H 4.2618 8.3820 115.6737 58.2990 28.4713 177.4010 88 A 4.5300 7.4085 121.7618 53.0278 19.2116 177.8127 89 H 4.5789 7.9288 115.3941 58.5546 30.4926 176.4115 90 K 4.2254 7.6883 116.3619 57.4875 32.3555 177.7776 91 L 4.4933 7.3614 115.9508 53.6722 44.3852 176.4838 92 R 3.9847 8.0404 115.0224 57.0436 26.7477 176.5276 93 V 3.9738 8.2445 117.1380 61.7280 32.9892 174.9902 94 D 4.4088 8.5996 127.5199 53.6569 41.4273 175.1877 95 P 4.6591 0.0000 0.0000 64.7256 31.1840 177.2962 96 V 4.0358 7.9596 117.1548 62.9839 32.4327 178.1484 97 N 4.5222 8.7253 119.4725 56.1418 38.2822 177.0679 98 F 3.8865 8.5157 121.3109 61.0820 38.9144 178.2999 99 K 4.1846 7.6836 123.7499 59.6308 31.4881 182.1143 100 L 3.6683 7.5338 119.4822 57.3609 41.4203 179.3510 101 L 3.8241 7.5222 119.8826 58.1657 42.2819 178.8931 102 S 4.2381 8.5185 115.5564 61.7506 62.6353 176.3278 103 H 4.1988 8.6041 121.2651 59.4355 29.6817 177.0143 104 C 4.0424 7.8813 118.3660 62.8346 27.9969 175.7941 105 L 3.9185 8.3023 122.0793 58.3201 41.7516 179.1223 106 L 3.8971 7.8250 118.3099 57.7423 41.3504 179.4131 107 S 3.9516 8.2038 114.5300 62.0470 62.9037 176.5889 108 T 3.7971 8.3285 118.3217 66.6921 68.1355 176.2370 109 L 3.2861 7.7564 120.2856 58.0590 41.4607 179.7514 110 A 3.4160 6.7865 118.8442 54.8023 18.2051 179.5576 111 V 3.5329 8.2481 117.4036 65.8289 31.6696 177.2506 112 H 4.6672 7.7305 113.5036 55.6848 30.8760 175.3286 113 L 4.7885 7.7603 120.5337 52.0699 42.0590 175.0638 114 P 4.2225 0.0000 0.0000 66.2317 31.9517 178.9693 115 N 4.5633 8.1281 113.2343 54.8465 37.8204 177.4360 116 D 4.6524 8.0111 115.9010 56.6166 41.8296 177.4332 117 F 4.4761 7.9137 122.1657 57.8785 37.1192 174.7342 118 T 4.3701 7.3270 116.2680 59.3822 72.0771 173.9005 119 P 4.0588 0.0000 0.0000 65.7502 31.3082 178.4536 120 A 3.9315 7.9786 118.7726 55.5055 18.2099 179.7731 121 V 3.5006 7.2242 116.1082 66.2935 31.6623 177.5844 122 H 3.7809 8.2876 118.2299 59.4954 29.4979 176.3609 123 A 3.9145 8.5061 122.8131 54.8416 18.0445 179.3400 124 S 4.2785 8.2028 113.2579 61.0858 63.1488 177.3511 125 L 4.1511 8.5797 121.3909 57.9464 41.3664 178.9474 126 D 4.5281 8.1489 117.7221 57.4707 41.0515 178.5152 127 K 3.9282 8.0592 118.6274 59.6497 32.1966 178.8437 128 F 4.2420 8.9698 121.1363 61.6995 39.2686 177.1932 129 L 3.8058 8.9458 119.2529 57.3124 41.3611 179.6625 130 S 4.0613 8.3405 115.8893 61.5299 62.7717 176.6584 131 S 4.0075 8.2325 118.1751 61.6671 62.6481 176.9627 132 V 3.3583 7.2040 120.5475 65.9681 30.9422 177.9887 133 S 3.7988 7.4847 113.5695 61.8459 63.0948 176.5418 134 T 3.8699 7.7176 119.4502 65.9850 68.3606 176.4164 135 V 3.4654 7.4640 119.9173 66.3936 31.2180 178.1498 136 L 3.9622 7.3161 116.5878 56.9111 41.0968 178.4562 137 T 4.0069 6.9235 108.2230 61.5781 68.7536 176.7422 138 S 4.1473 7.4929 121.2708 62.2780 63.1582 176.2505 139 K 4.0344 7.5487 122.0084 56.4723 32.1501 179.0563 140 Y 4.5644 7.1058 119.5772 59.1036 37.7485 175.4883 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 V 8.05 4.20 2.30 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 1.17 0.00 0.00 1.00 0.00 0.00 2 L 8.60 4.84 0.00 1.85 1.57 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.61 4.26 0.00 4.04 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 4 A 8.80 3.91 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 5 A 8.00 4.03 1.33 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 0.00 0.00 0.00 0.00 0.00 6 D 7.61 4.34 0.00 2.95 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 7 K 8.25 4.04 0.00 1.80 2.02 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 8 T 8.34 4.08 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 9 N 7.81 4.40 0.00 2.87 2.86 0.00 0.00 6.59 7.56 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 10 V 7.80 3.59 1.89 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 0.37 0.00 0.00 0.85 0.00 0.00 11 K 7.62 3.96 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.49 7.81 12 A 7.84 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 13 A 9.12 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 14 W 8.78 4.12 0.00 3.48 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 15 S 7.95 3.91 0.00 3.90 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 16 K 7.46 4.10 0.00 2.00 1.88 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.51 7.81 17 V 7.44 3.67 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 0.34 0.00 0.00 0.47 0.00 0.00 18 G 8.66 3.80 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 0.00 0.00 0.00 19 G 8.75 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 0.00 0.00 0.00 20 H 7.70 5.24 0.00 2.59 2.04 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.00 4.00 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 22 G 7.93 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.01 0.00 1.89 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 2.35 2.35 0.00 24 Y 7.92 4.44 0.00 3.10 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 25 G 9.25 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 26 A 9.26 4.09 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 27 E 8.77 3.89 0.00 2.12 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 2.34 2.39 0.00 28 A 8.16 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 29 L 7.53 3.52 0.00 1.91 1.58 0.96 0.53 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 30 E 8.26 4.12 0.00 2.16 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 2.37 2.48 0.00 31 R 8.18 4.23 0.00 2.07 1.98 0.00 3.14 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 32 M 7.78 4.33 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 33 F 7.93 4.48 0.00 3.15 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 34 L 7.54 4.01 0.00 1.74 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.81 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.83 0.00 3.25 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 37 P 0.00 4.85 0.00 2.23 2.18 0.00 3.95 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 38 T 8.37 3.93 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 1.29 0.00 0.00 39 T 8.08 4.25 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 1.31 0.00 0.00 40 K 8.71 4.37 0.00 1.98 1.88 0.00 1.59 0.00 0.00 1.91 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.78 1.89 7.81 41 T 8.11 4.10 4.07 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 1.18 0.00 0.00 42 Y 7.88 4.19 0.00 3.11 2.58 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 43 F 8.02 4.88 0.00 2.79 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 44 P 0.00 4.36 0.00 2.09 2.15 0.00 3.73 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 2.03 2.17 0.00 45 H 8.45 4.86 0.00 3.43 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.67 4.93 0.00 3.12 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 47 D 9.66 4.48 0.00 2.59 2.43 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 48 L 8.04 4.17 0.00 1.71 1.52 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.95 4.53 0.00 3.99 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 *50 H 8.00 4.81 0.00 2.95 2.95 0.00 7.08 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 51 G 9.39 3.70 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 0.00 0.00 0.00 52 S 8.71 3.89 0.00 3.90 3.76 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 53 A 8.68 4.03 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 54 Q 7.74 3.74 0.00 1.53 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 7.04 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 55 V 7.75 4.05 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 0.78 0.00 0.00 0.93 0.00 0.00 56 K 8.61 4.31 0.00 1.89 1.90 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.60 7.81 57 A 7.26 4.78 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 58 H 7.63 4.60 0.00 3.54 3.56 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.89 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.35 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 61 K 7.91 4.31 0.00 1.76 1.84 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.06 7.81 62 V 8.58 4.00 2.27 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 1.02 0.00 0.00 1.03 0.00 0.00 63 G 8.69 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 64 D 8.15 4.52 0.00 2.79 2.77 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 65 A 7.87 4.00 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 66 L 7.85 4.06 0.00 2.10 1.51 1.09 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.28 3.61 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 1.35 0.00 0.00 68 L 8.08 4.04 0.00 1.71 1.72 0.73 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.63 4.03 1.46 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 70 V 7.31 3.32 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 0.61 0.00 0.00 -0.19 0.00 0.00 71 G 7.55 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 0.00 0.00 0.00 0.00 72 H 8.23 4.95 0.00 3.19 3.25 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.45 4.02 0.00 1.62 1.77 0.83 1.29 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 74 D 8.13 4.37 0.00 2.65 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 75 D 8.08 4.50 0.00 2.71 2.43 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 76 L 8.29 4.52 0.00 1.64 1.68 0.89 1.13 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 77 P 0.00 4.29 0.00 2.12 2.07 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 78 G 7.99 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 79 A 7.24 4.40 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 80 L 7.54 4.72 0.00 1.72 1.57 0.84 0.81 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 81 S 7.52 4.61 0.00 4.03 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 82 D 7.79 4.76 0.00 2.79 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 83 L 7.98 4.09 0.00 1.85 1.84 0.94 0.83 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 84 S 8.39 4.06 0.00 3.79 3.79 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 85 N 7.93 4.43 0.00 2.80 2.91 0.00 0.00 6.84 6.66 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 86 L 7.88 3.97 0.00 1.91 1.81 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.38 4.26 0.00 3.39 3.57 0.00 5.85 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 88 A 7.41 4.53 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 89 H 7.93 4.58 0.00 3.02 3.59 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.69 4.23 0.00 1.86 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.41 7.81 91 L 7.36 4.49 0.00 1.88 1.68 0.77 0.83 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 92 R 8.04 3.98 0.00 2.07 2.09 0.00 3.51 0.00 0.00 3.45 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 93 V 8.24 3.97 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 0.36 0.00 0.00 0.85 0.00 0.00 94 D 8.60 4.41 0.00 2.81 2.63 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 95 P 0.00 4.66 0.00 2.09 2.15 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.19 0.00 96 V 7.96 4.04 2.10 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 0.92 0.00 0.00 0.94 0.00 0.00 97 N 8.73 4.52 0.00 2.60 2.64 0.00 0.00 6.82 8.01 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 98 F 8.52 3.89 0.00 3.11 3.10 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 99 K 7.68 4.18 0.00 1.94 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 100 L 7.53 3.67 0.00 1.48 0.86 0.75 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.52 3.82 0.00 1.52 1.49 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.52 4.24 0.00 3.99 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 0.00 103 H 8.60 4.20 0.00 3.25 3.29 0.00 5.79 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 0.00 104 C 7.88 4.04 0.00 3.18 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 0.00 105 L 8.30 3.92 0.00 1.88 1.72 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.82 3.90 0.00 2.01 1.74 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.20 3.95 0.00 3.76 3.83 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 0.00 0.00 0.00 108 T 8.33 3.80 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 1.06 0.00 0.00 109 L 7.76 3.29 0.00 1.29 1.49 1.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 110 A 6.79 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.25 3.53 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 0.67 0.00 0.00 0.87 0.00 0.00 112 H 7.73 4.67 0.00 2.74 3.33 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.76 4.79 0.00 1.63 1.55 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.22 0.00 2.04 2.11 0.00 3.67 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 2.00 2.04 0.00 115 N 8.13 4.56 0.00 2.74 2.74 0.00 0.00 6.65 8.06 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 0.00 116 D 8.01 4.65 0.00 2.70 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 0.00 117 F 7.91 4.48 0.00 3.09 3.03 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 0.00 0.00 0.00 118 T 7.33 4.37 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 1.29 0.00 0.00 119 P 0.00 4.06 0.00 2.13 2.09 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 120 A 7.98 3.93 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 0.00 121 V 7.22 3.50 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 1.00 0.00 0.00 0.91 0.00 0.00 122 H 8.29 3.78 0.00 2.28 3.19 0.00 5.65 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 0.00 123 A 8.51 3.91 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 0.00 124 S 8.20 4.28 0.00 4.03 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 0.00 125 L 8.58 4.15 0.00 1.85 1.97 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.15 4.53 0.00 2.96 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 0.00 127 K 8.06 3.93 0.00 2.09 1.88 0.00 1.88 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.61 7.81 128 F 8.97 4.24 0.00 3.12 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 0.00 129 L 8.95 3.81 0.00 1.88 1.69 1.08 0.78 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 0.00 130 S 8.34 4.06 0.00 3.97 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 0.00 131 S 8.23 4.01 0.00 3.87 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 0.00 132 V 7.20 3.36 1.67 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 0.85 0.00 0.00 0.12 0.00 0.00 133 S 7.48 3.80 0.00 3.97 3.76 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 0.00 134 T 7.72 3.87 4.29 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 1.13 0.00 0.00 135 V 7.46 3.47 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 0.99 0.00 0.00 0.92 0.00 0.00 136 L 7.32 3.96 0.00 1.08 1.56 0.98 1.04 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 0.00 137 T 6.92 4.01 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 0.66 0.00 0.00 138 S 7.49 4.15 0.00 3.99 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 0.00 139 K 7.55 4.03 0.00 1.80 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.03 7.81 140 Y 7.11 4.56 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.