NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2555 8.2993 121.7615 56.4193 34.0713 175.0130 4 F 4.8899 6.8734 110.4426 55.3520 40.7142 168.4563 5 V 4.6156 10.2230 120.4786 61.4382 35.1553 175.1150 6 I 5.0082 8.6612 128.7669 60.4011 38.5256 175.0992 7 R 4.8750 8.7963 122.0390 54.0296 33.2813 172.4881 8 P 4.9290 0.0000 0.0000 62.7651 31.9974 176.0855 9 A 4.6935 9.1986 124.8316 52.2947 19.6556 176.2403 10 T 4.8097 9.0939 108.5828 58.8405 72.1160 175.0690 11 A 2.5800 7.9523 122.1243 54.6015 17.8690 179.3898 12 A 3.9399 7.2625 116.7077 54.3008 18.7897 178.4551 13 D 4.7200 7.7887 116.3606 54.9135 41.1520 178.0507 14 C 4.1484 7.6042 119.4122 62.8253 28.0344 176.0237 15 S 4.0537 7.9235 115.2699 61.5042 62.5109 176.1457 16 D 4.1680 7.9052 122.0161 56.9558 40.5778 178.5131 17 I 3.3239 8.0379 120.5489 64.3461 37.0469 178.2663 18 L 3.7280 7.8569 121.0314 57.8725 41.7015 178.8357 19 R 3.7567 8.0004 119.0279 59.5786 30.0264 178.6118 20 L 3.9399 8.0696 118.7383 57.4263 41.4748 179.6101 21 I 3.7116 7.5531 120.3279 64.2037 36.9316 178.5449 22 K 3.9015 8.2066 119.4569 59.1377 31.8250 179.0675 23 E 4.0086 7.6068 118.9949 58.5390 29.4598 178.7428 24 L 3.2795 7.2687 120.5095 57.4346 41.8170 178.7992 25 A 3.9736 7.8624 120.3158 54.9953 18.4345 179.3086 26 K 4.0221 7.4844 115.4807 60.0665 32.3114 178.5617 27 Y 4.1882 7.7487 117.8700 59.7979 38.8652 176.6779 28 E 4.0409 7.4298 118.0291 56.7189 30.1844 176.3331 29 Y 4.6684 8.1352 117.9546 60.2454 38.8182 176.8231 30 M 4.3238 7.9708 117.8734 55.4255 32.9160 176.3504 31 E 4.4028 8.4004 123.3920 54.6271 28.2846 173.6928 32 E 4.5496 8.0263 121.8500 54.8602 31.5519 176.5896 33 Q 4.2687 8.4731 122.5539 53.9351 29.2843 172.2409 34 V 4.0113 8.2300 122.6621 61.3879 31.3504 175.6637 35 I 4.1462 8.1077 120.5944 60.8937 38.4487 175.9198 36 L 4.1750 7.6963 124.0583 55.2278 42.7024 176.1081 37 T 4.6634 8.0774 115.2930 59.3104 72.9284 174.9127 38 E 3.8943 8.5104 120.8906 59.2007 29.4978 178.4260 39 K 3.9237 8.0340 119.2258 59.5611 32.1684 178.2040 40 D 4.3758 7.8952 118.6229 57.6198 40.7052 178.9082 41 L 4.1657 7.9139 119.0993 57.6493 41.4787 179.7491 42 L 4.2516 8.0188 119.1827 57.8508 41.5305 178.9055 43 E 4.0060 8.2927 118.1236 59.5986 29.9175 178.3722 44 D 4.9541 8.8881 118.6684 56.1719 40.7622 178.0795 45 G 3.0381 7.9686 104.6442 44.3198 0.0000 173.9222 46 F 4.6347 8.8888 118.4661 56.7603 40.3655 174.8728 47 G 3.9573 7.8544 109.5766 44.1887 0.0000 173.0358 48 E 3.6346 9.0081 127.6345 55.8706 28.0938 174.7795 49 H 4.5069 8.6227 123.6540 53.7550 31.7160 171.8056 50 P 4.2549 0.0000 0.0000 62.6022 31.5931 176.2848 51 F 4.4915 9.2145 121.9253 58.2039 39.4504 174.7258 52 Y 5.0674 6.7830 117.1209 56.2754 40.9185 173.6902 53 H 4.5533 9.2279 116.8167 54.1019 33.1242 172.4613 54 C 5.6297 8.6049 118.5330 58.0546 32.3962 172.7536 55 L 5.3143 9.0313 121.5536 53.2052 44.6420 175.9633 56 V 5.0828 9.1372 114.9062 59.5824 36.1024 174.4544 57 A 4.9935 9.1647 125.9239 50.5707 20.6810 175.4377 58 E 5.2054 9.4041 124.7523 54.6009 32.1003 175.1498 59 V 4.8066 8.4753 126.5583 59.3418 33.5344 176.5586 60 P 4.6195 0.0000 0.0000 62.3883 31.9700 176.8826 61 K 4.2165 8.5012 117.3309 57.8267 30.0578 177.2426 62 E 4.7438 7.6302 115.1446 56.0237 31.1086 174.3195 63 H 5.0803 7.8721 112.9471 54.7299 29.2864 175.0542 64 W 4.8156 9.5903 122.3979 58.0928 29.4839 175.3390 65 T 4.4316 7.9776 113.0924 58.9955 71.6453 173.0820 66 P 4.1355 0.0000 0.0000 62.1938 32.5387 177.6318 67 E 3.3939 9.1528 117.8225 56.4402 28.6626 173.1402 68 G 4.4361 8.1699 108.6081 43.8523 0.0000 171.8978 69 H 5.1395 9.0158 121.2799 53.9895 32.5251 174.5715 70 S 4.5571 8.4510 115.1077 58.8799 64.7677 173.2439 71 I 4.6490 7.6500 121.8024 60.4683 37.3304 175.7755 72 V 3.8230 8.3818 120.8922 61.4101 33.1427 175.8465 73 G 4.5118 7.6518 106.5100 45.8120 0.0000 171.8527 74 F 5.6229 8.7477 114.3486 55.7831 42.1290 172.9905 75 A 5.0244 9.4024 120.0226 50.5527 22.7925 174.7055 76 M 5.4852 9.7984 122.4629 54.0108 35.2626 174.1385 77 Y 5.3081 8.9579 123.2927 56.3581 42.4156 172.8250 78 Y 4.9626 8.1882 116.7842 56.3164 41.9362 173.1742 79 F 5.4381 8.8949 118.9865 56.8561 40.8031 175.3466 80 T 5.0480 8.9458 112.5596 60.1322 72.4385 171.6517 81 Y 5.2595 8.5627 120.6508 56.0915 42.3771 173.8452 82 D 4.9435 8.0508 124.5020 51.7886 43.5514 174.8994 83 P 4.4389 0.0000 0.0000 65.2018 31.7165 177.6349 84 W 4.3201 8.6894 117.7001 58.3564 29.2720 177.1386 85 I 4.3974 8.2520 107.3350 59.8581 39.1766 175.7819 86 G 3.0833 8.1354 107.8598 43.2403 0.0000 172.2890 87 K 4.6275 8.5121 121.2445 57.2404 33.4363 177.0407 88 L 5.1873 9.0789 125.3991 52.9548 46.6705 174.7581 89 L 5.0114 8.8510 122.9572 53.7725 44.3791 174.4962 90 Y 4.8460 8.7019 127.0375 55.5792 41.4472 174.1150 91 L 4.1855 8.2538 130.8314 54.4845 41.8118 175.9063 92 E 4.4373 8.9485 129.1474 58.8638 30.4094 175.7489 93 D 4.7677 7.9690 116.3776 54.2296 44.6618 174.6537 94 F 4.8124 8.5122 114.9210 55.9794 40.4720 173.1163 95 F 4.3632 8.2445 122.8568 56.6423 43.2811 173.0403 96 V 4.3466 6.3845 123.4948 60.7269 34.0974 174.7749 97 M 3.8886 8.5863 127.4687 56.1109 32.2241 177.5150 98 S 4.0701 9.1165 118.3720 61.7891 62.9538 175.9014 99 D 4.5123 8.1626 116.5428 54.8505 40.8284 175.4192 100 Y 4.5158 8.5315 114.7678 58.1441 39.8181 176.2235 101 R 3.9527 7.3496 118.2946 57.1284 30.5979 175.9567 102 G 3.7949 8.8013 108.0916 47.6763 0.0000 174.9494 *103 F 4.6900 8.2526 115.4477 55.2800 40.5150 178.4110 104 G 4.1875 8.3573 107.6637 46.3506 0.0000 175.3946 105 I 3.2050 7.7587 121.2346 64.2704 36.6027 178.1997 106 G 3.7681 8.0456 105.7965 47.9263 0.0000 175.2345 107 S 4.2109 7.9142 116.1537 60.6514 63.3210 176.0395 108 E 4.1497 8.3804 122.4377 59.0161 29.3728 178.7892 109 I 3.6626 8.0909 120.4561 64.3361 37.2030 178.1495 110 L 3.7774 7.3656 120.6817 57.6172 41.7874 179.0896 111 K 3.8641 7.5015 118.5400 59.5701 32.1443 178.5583 112 N 4.3211 8.0176 116.6412 56.2401 38.3981 177.3692 113 L 3.6747 7.7404 120.2859 57.8932 41.7283 179.5926 114 S 4.0931 7.9155 114.9658 61.8623 62.7479 176.9909 115 Q 3.9828 7.9163 120.5553 58.7579 28.3629 178.7637 116 V 3.5644 7.9060 119.3466 66.0163 31.5336 177.9343 117 A 4.0123 8.3276 120.8873 55.1992 18.2045 179.4220 118 M 3.9196 8.0013 116.9773 58.8480 32.2712 178.6162 119 R 4.2038 8.3731 114.3934 58.2848 29.8412 177.2576 120 C 4.3804 8.0128 116.4063 58.4233 29.0712 173.4685 121 R 3.8056 7.4262 116.5801 57.6391 27.4291 176.0861 122 C 4.9678 7.8413 114.1875 58.1888 30.3482 175.3040 123 S 4.2784 8.5279 120.6662 61.4604 62.7895 173.9631 124 S 4.6931 7.5676 114.0273 57.6008 67.9187 172.5741 125 M 5.1520 8.5200 119.7994 54.4976 34.1868 174.2332 126 H 5.0277 9.0659 123.7331 54.5294 31.9383 173.5491 127 F 4.4023 7.3550 113.6318 56.5753 40.0807 172.8294 128 L 4.6830 8.5533 118.9211 52.9648 43.7997 176.5401 129 V 4.3521 7.9022 119.9962 60.6623 34.6567 174.9889 130 A 3.8732 8.2013 130.3106 51.7205 18.5292 178.0574 131 E 4.0210 8.6324 121.1476 58.1512 29.7024 177.8360 132 W 4.6094 7.1522 115.0248 57.5010 29.7136 177.0146 133 N 4.8337 7.1210 120.5582 51.7959 34.8251 174.1232 134 E 3.9857 8.3020 125.8035 58.8549 30.1309 176.0178 135 P 4.2433 0.0000 0.0000 66.1930 31.3054 178.3006 136 S 4.1442 8.2468 115.6804 61.1821 62.8490 176.7219 137 I 3.8676 7.9014 122.1847 64.8076 36.6157 178.2500 138 N 4.4326 8.0347 116.1817 56.2035 38.5350 176.8456 139 F 4.2888 8.5776 121.3950 61.5645 39.5807 176.3313 140 Y 4.3358 8.3639 116.2429 59.3475 38.0192 176.2743 141 K 4.6867 7.7906 118.8694 56.7922 32.9872 178.6610 142 R 3.9450 8.5203 117.0878 56.9692 28.6721 177.2850 143 R 4.2480 7.9405 116.0579 55.5555 30.4542 176.3810 144 G 4.0139 8.4087 104.3870 45.9586 0.0000 174.2574 145 A 4.1670 7.8636 122.8145 52.3079 18.9378 176.8970 146 S 4.6029 8.1870 114.7913 56.0379 65.8582 174.3952 147 D 4.4886 8.3576 122.3895 53.3628 41.0191 176.9118 148 L 4.1225 8.1803 128.4399 57.6300 41.7583 179.4833 149 S 4.3835 8.1384 115.0307 61.4132 62.5891 176.4483 150 S 4.0313 8.4718 115.3450 61.4012 62.3121 175.8167 151 E 4.0731 7.9877 119.6181 59.1106 29.4494 178.4974 152 E 4.2999 8.1422 114.8385 55.1433 30.1392 176.9251 153 G 3.7337 7.8602 107.0499 45.3198 0.0000 174.1172 154 W 4.4716 7.6365 119.3601 56.6392 29.5529 175.7370 155 R 4.8321 8.6424 121.2193 54.1569 32.8304 174.7955 156 L 4.5215 8.6380 123.4876 54.4168 42.9491 175.8963 157 F 4.9202 8.7835 123.6731 55.7387 42.2768 174.3577 158 K 4.6398 8.2099 121.9698 55.0879 35.0377 175.4752 159 I 4.4130 8.1543 125.2095 58.8897 39.5676 175.8868 160 D 4.7021 8.4990 125.8259 52.2712 41.5950 176.8446 161 K 3.8085 8.6166 119.6109 59.8593 32.0616 177.5531 162 E 3.8641 8.3204 118.8120 60.0214 29.4698 178.5434 163 Y 4.0871 8.0856 115.4948 60.6167 38.0725 177.8949 164 L 4.1121 8.1843 120.4343 57.3501 41.6282 179.0964 165 L 3.9336 8.8032 121.3846 58.0407 42.1840 178.9848 166 K 3.8684 7.7701 117.8189 60.0948 31.8684 179.3146 167 M 4.1416 7.7672 116.3023 58.1657 31.8590 178.4005 168 A 4.1852 7.9725 120.7760 54.9505 18.6579 178.3586 169 T 4.1974 7.9564 107.0552 62.8547 69.7255 174.8096 170 E 4.0957 8.1776 126.5167 55.9430 29.5665 177.3824 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 K 8.30 4.26 0.00 1.63 1.53 0.00 1.88 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.53 7.81 4 F 6.87 4.89 0.00 3.15 3.04 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 5 V 10.22 4.62 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 0.87 0.00 0.00 0.98 0.00 0.00 6 I 8.66 5.01 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.05 0.96 0.00 0.00 7 R 8.80 4.87 0.00 1.91 2.03 0.00 2.82 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 8 P 0.00 4.93 0.00 2.19 2.20 0.00 3.83 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 2.06 2.04 0.00 9 A 9.20 4.69 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 9.09 4.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 11 A 7.95 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.26 3.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.79 4.72 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.60 4.15 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.92 4.05 0.00 4.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.17 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.04 3.32 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.43 0.00 0.00 18 L 7.86 3.73 0.00 1.64 1.70 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.00 3.76 0.00 1.86 1.96 0.00 2.88 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 20 L 8.07 3.94 0.00 1.80 2.06 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.55 3.71 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.24 0.83 0.00 0.00 22 K 8.21 3.90 0.00 1.85 1.80 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.54 7.81 23 E 7.61 4.01 0.00 1.79 1.68 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 2.30 2.22 0.00 24 L 7.27 3.28 0.00 1.48 1.61 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.86 3.97 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 26 K 7.48 4.02 0.00 1.75 1.94 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.77 7.81 27 Y 7.75 4.19 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.43 4.04 0.00 2.30 1.91 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 2.61 2.46 0.00 29 Y 8.14 4.67 0.00 2.90 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 30 M 7.97 4.32 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.62 0.00 31 E 8.40 4.40 0.00 1.91 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 2.22 2.38 0.00 32 E 8.03 4.55 0.00 2.00 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 2.26 2.31 0.00 33 Q 8.47 4.27 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 34 V 8.23 4.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.89 0.00 0.00 35 I 8.11 4.15 1.86 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 1.29 0.62 0.90 0.00 0.00 36 L 7.70 4.17 0.00 1.55 1.54 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.08 4.66 4.23 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 1.22 0.00 0.00 38 E 8.51 3.89 0.00 2.03 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 2.36 2.34 0.00 39 K 8.03 3.92 0.00 1.86 1.80 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.56 7.81 40 D 7.90 4.38 0.00 3.02 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 41 L 7.91 4.17 0.00 1.93 1.89 0.81 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.02 4.25 0.00 1.95 1.77 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.29 4.01 0.00 2.01 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 2.38 2.55 0.00 44 D 8.89 4.95 0.00 3.09 3.02 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 45 G 7.97 3.04 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 46 F 8.89 4.63 0.00 3.01 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 47 G 7.85 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.01 3.63 0.00 2.14 1.84 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 2.21 2.29 0.00 49 H 8.62 4.51 0.00 2.92 2.90 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.25 0.00 1.69 1.67 0.00 3.47 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 51 F 9.21 4.49 0.00 3.09 3.14 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 52 Y 6.78 5.07 0.00 3.04 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 53 H 9.23 4.55 0.00 1.43 2.48 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.60 5.63 0.00 3.06 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 55 L 9.03 5.31 0.00 1.72 1.64 0.95 0.88 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 56 V 9.14 5.08 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 0.91 0.00 0.00 0.99 0.00 0.00 57 A 9.16 4.99 1.07 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 0.00 0.00 58 E 9.40 5.21 0.00 2.02 1.84 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 2.24 2.33 0.00 59 V 8.48 4.81 2.11 0.00 0.00 0.00 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 1.23 0.00 0.00 60 P 0.00 4.62 0.00 2.25 2.04 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 61 K 8.50 4.22 0.00 1.67 1.74 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.33 7.81 62 E 7.63 4.74 0.00 2.04 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 2.41 2.40 0.00 63 H 7.87 5.08 0.00 2.98 3.53 0.00 5.70 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 64 W 9.59 4.82 0.00 3.79 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.98 4.43 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 66 P 0.00 4.14 0.00 1.96 1.95 0.00 3.18 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 67 E 9.15 3.39 0.00 2.14 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 68 G 8.17 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 0.00 0.00 0.00 0.00 69 H 9.02 5.14 0.00 3.10 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.45 4.56 0.00 4.04 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 71 I 7.65 4.65 1.90 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 1.31 0.84 0.94 0.00 0.00 72 V 8.38 3.82 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 -0.51 0.00 0.00 0.67 0.00 0.00 73 G 7.65 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.75 5.62 0.00 3.30 3.16 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 0.00 0.00 0.00 75 A 9.40 5.02 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 76 M 9.80 5.49 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 7.35 4.40 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.55 4.68 0.00 1.71 1.64 1.07 0.86 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 0.00 129 V 7.90 4.35 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 0.88 0.00 0.00 1.07 0.00 0.00 130 A 8.20 3.87 0.04 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 0.00 131 E 8.63 4.02 0.00 2.11 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 0.00 2.35 2.43 0.00 132 W 7.15 4.61 0.00 3.57 3.31 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 0.00 133 N 7.12 4.83 0.00 1.82 2.54 0.00 0.00 6.63 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 0.00 134 E 8.30 3.99 0.00 2.21 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 2.44 2.52 0.00 135 P 0.00 4.24 0.00 2.32 2.33 0.00 3.86 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 2.57 2.16 0.00 136 S 8.25 4.14 0.00 4.13 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 0.00 137 I 7.90 3.87 2.12 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 1.57 0.93 0.97 0.00 0.00 138 N 8.03 4.43 0.00 2.95 2.93 0.00 0.00 6.99 7.57 0.00 0.00 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 F 8.58 4.29 0.00 2.80 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 0.00 140 Y 8.36 4.34 0.00 3.33 3.15 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 0.00 141 K 7.79 4.69 0.00 1.94 1.76 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.67 7.81 142 R 8.52 3.94 0.00 1.94 2.08 0.00 3.24 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 143 R 7.94 4.25 0.00 1.84 1.87 0.00 2.63 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.23 0.00 144 G 8.41 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 0.00 0.00 0.00 145 A 7.86 4.17 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.19 4.60 0.00 4.11 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 0.00 147 D 8.36 4.49 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.18 4.12 0.00 1.72 1.88 0.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.14 4.38 0.00 4.03 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 0.00 150 S 8.47 4.03 0.00 3.83 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 0.00 151 E 7.99 4.07 0.00 1.98 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 2.32 2.41 0.00 152 E 8.14 4.30 0.00 1.75 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 2.19 2.27 0.00 153 G 7.86 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 0.00 0.00 0.00 154 W 7.64 4.47 0.00 3.30 3.12 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 0.00 0.00 0.00 155 R 8.64 4.83 0.00 2.07 2.14 0.00 3.38 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 156 L 8.64 4.52 0.00 1.70 1.67 1.02 0.75 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 0.00 157 F 8.78 4.92 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.21 4.64 0.00 1.68 1.61 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.48 7.81 159 I 8.15 4.41 1.92 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 1.48 0.85 0.99 0.00 0.00 160 D 8.50 4.70 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.62 3.81 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 162 E 8.32 3.86 0.00 2.00 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 1.84 2.21 0.00 163 Y 8.09 4.09 0.00 3.25 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 0.00 164 L 8.18 4.11 0.00 1.89 1.74 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.80 3.93 0.00 1.81 1.80 0.89 -0.23 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 0.00 166 K 7.77 3.87 0.00 2.01 1.96 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.27 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.37 1.60 7.81 167 M 7.77 4.14 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 168 A 7.97 4.19 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 0.00 169 T 7.96 4.20 4.23 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 1.20 0.00 0.00 170 E 8.18 4.10 0.00 2.09 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 2.35 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.