NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6973 8.2827 119.2088 53.1883 40.7681 175.8548 3 L 3.8102 7.9810 121.0266 56.6857 42.1339 177.0182 4 K 3.9526 8.7785 120.4131 59.8354 32.8122 177.8720 5 D 4.5172 8.0711 118.0889 56.4243 40.7676 178.6625 6 K 3.9419 8.3677 121.0392 59.4836 32.2803 178.7030 7 I 3.6808 7.9832 120.3238 64.4808 36.9948 178.3623 8 L 3.9580 7.9373 119.6017 57.7068 41.4901 179.6856 9 G 3.6527 7.8905 105.1962 47.9794 0.0000 175.8842 10 V 3.5568 8.0624 120.8284 65.4698 31.4956 177.9804 11 A 3.5611 8.3401 121.0042 54.7672 18.0869 179.0770 12 K 3.9079 8.6977 118.6383 60.2335 32.1359 178.6654 13 E 3.9523 8.0256 117.8971 59.3373 29.2868 179.5842 14 L 3.8774 8.0203 119.1841 57.7682 41.5927 179.4489 15 F 4.6597 8.1084 118.0850 60.7204 38.6353 177.8064 16 I 3.7219 7.9728 118.6483 64.3573 37.0294 178.1696 17 K 4.1536 8.1806 119.2627 58.7139 32.2009 177.0573 18 N 4.7745 8.4439 112.9002 52.0663 39.6959 175.2990 19 G 4.0952 8.5210 105.9628 45.0880 0.0000 174.4919 20 Y 4.1043 8.7077 118.7147 60.7353 38.9936 177.5777 21 N 4.2180 8.6749 115.8448 56.1771 38.8425 176.5376 22 A 4.0673 7.9574 119.8987 55.0960 18.7494 178.0131 23 T 4.0992 7.4814 112.7819 63.7909 68.3855 175.0691 24 T 4.4596 8.7752 118.1872 60.6854 71.9421 175.9506 25 T 4.0899 8.3356 112.1763 64.3850 69.0037 177.0481 26 G 3.6117 8.0483 108.5677 47.7338 0.0000 175.1539 27 E 3.9379 8.0577 121.1852 59.3358 29.6375 179.5389 28 I 3.5906 7.3120 118.9872 64.3970 37.0424 178.4178 29 V 3.6517 8.2470 121.7377 66.7613 31.5145 178.8665 30 K 3.9914 8.2057 123.0893 59.8705 31.4332 181.2309 31 L 4.3554 8.1880 119.5349 56.4438 41.5966 178.5730 32 S 4.5374 7.6379 111.6799 56.8138 64.3759 173.7290 33 E 3.7842 7.8829 120.0460 58.0734 27.2480 172.6198 34 S 4.7132 8.2760 112.8233 56.4287 65.7158 172.9623 35 S 4.8039 8.2977 111.6556 55.8986 67.1869 174.3648 36 K 4.0144 8.8947 122.8208 59.9529 31.7853 179.4601 37 G 3.7255 8.1489 105.1674 47.9958 0.0000 174.9055 38 N 4.4222 7.9664 119.4710 56.1261 39.0178 176.6453 39 L 4.2729 8.3117 121.7400 58.4062 42.1689 178.4137 40 Y 4.0235 8.5272 119.8900 60.9282 38.6037 177.2174 41 Y 4.0621 8.6212 119.5502 60.6330 38.8705 177.1001 42 H 3.8588 7.8507 116.0767 56.9400 29.2318 176.1208 43 F 4.7542 7.4635 115.4860 55.5741 41.3292 176.0962 44 K 3.6881 8.2511 124.2293 57.0773 31.4957 176.5786 45 T 4.8627 7.1887 106.3257 58.7806 73.1708 174.4039 46 K 4.0309 8.7514 122.2469 59.9005 32.0683 178.5957 47 E 4.0790 8.2951 119.6601 58.8546 29.3907 178.6415 48 N 4.4016 8.2402 116.7189 55.9290 39.1211 176.5582 49 L 3.5739 8.0862 122.0129 58.2279 42.1107 178.7715 50 F 3.6639 8.2891 120.3490 61.2294 39.1399 177.0407 51 L 3.8224 7.5258 118.5529 57.5841 41.3566 179.1759 52 E 3.9185 8.1065 119.3539 59.1035 29.6103 178.6070 53 I 3.5589 7.5417 119.9059 64.6374 37.2219 178.0629 54 L 3.8498 7.3610 119.3117 57.9296 41.3382 179.4292 55 N 4.2751 8.2049 116.1052 56.5031 38.5714 177.3055 56 I 3.7130 7.7721 120.9129 64.5997 37.2485 178.3643 57 E 4.0350 8.7171 119.5565 59.4518 29.2462 179.0681 58 E 4.0629 8.8082 119.6719 59.3341 29.6153 179.0667 59 S 4.1944 8.3910 115.3713 61.5778 62.9331 176.7427 60 K 4.0313 8.2923 121.1992 59.1133 31.7897 179.1321 61 W 4.4525 8.4007 128.5298 60.7141 30.6090 177.8678 62 Q 3.9965 8.4389 118.0320 59.1461 27.6917 178.6543 63 E 3.9047 8.5986 120.5009 59.3241 29.5943 178.8466 64 Q 3.9833 8.6617 118.3548 58.8308 28.7973 178.6886 65 W 4.3350 8.3983 132.1261 60.7502 30.3891 178.6387 66 K 3.5610 7.8798 123.1794 59.7055 31.4307 181.4604 67 K 4.2041 7.5018 119.0753 59.2215 31.8751 179.2360 68 E 4.0821 8.2276 119.7045 58.6090 29.6557 177.9137 69 Q 3.7045 7.3793 116.2771 57.1227 28.4797 177.8811 70 I 3.7213 6.8908 120.5775 64.0076 37.1127 176.9650 71 K 4.1216 7.4551 115.9947 56.7879 31.4885 176.9360 72 A 4.5181 7.5317 121.6907 49.9809 19.9946 176.2973 73 K 4.0730 8.9232 123.5500 59.5064 32.8323 177.9172 74 T 4.6701 8.3556 109.1045 59.7214 72.2440 175.0353 75 N 4.4204 9.2792 120.9001 56.4445 38.5774 177.7498 76 R 4.4510 8.3382 120.1391 59.7631 30.2020 178.4486 77 E 4.2130 8.1879 118.1818 59.5459 29.4536 179.4324 78 K 4.2762 8.5219 118.7756 59.4236 32.0050 179.1795 79 F 4.2338 8.8992 121.2003 61.6351 39.1303 176.4740 80 Y 4.0679 8.2380 116.3126 61.3194 37.6671 178.9228 81 L 4.1283 8.4133 120.8928 58.3238 42.2156 178.2002 82 Y 3.5844 8.2847 119.6536 60.6715 38.6867 177.9443 83 N 4.2211 7.9083 117.0689 56.1199 38.6049 177.0086 84 E 3.9461 8.0123 119.4970 59.5982 29.5644 179.1950 85 L 4.1041 8.0787 120.2114 57.4858 41.5613 179.8815 86 S 3.7669 7.9098 113.8226 61.3374 62.7549 176.4832 87 L 4.0101 7.6580 122.8378 58.2019 41.6390 178.9884 88 T 3.8808 8.4286 110.1919 65.2469 68.2911 176.5464 89 T 3.1712 8.0792 113.4127 63.7465 68.6887 176.0372 90 E 3.6957 7.4740 121.9360 59.0942 29.3394 177.8902 91 Y 3.9180 7.4820 119.3336 59.6378 39.0017 175.8437 92 Y 4.8944 7.1388 116.7317 56.5025 38.8525 174.9153 93 Y 4.6002 7.8752 123.0112 56.6652 39.3207 174.0806 94 P 4.2518 0.0000 0.0000 65.4708 31.9799 178.2090 95 L 4.0032 6.6123 117.8911 56.2908 41.4337 178.4510 96 Q 4.0182 7.5119 120.1046 59.5153 28.8882 178.3639 97 N 4.3069 8.0646 116.5000 56.3019 38.5995 177.1684 98 A 4.1133 8.0051 121.6650 54.9201 18.4891 179.6894 99 I 3.8957 8.1307 118.7034 64.6739 37.2579 178.3261 100 I 3.6617 7.8250 120.6805 64.5726 36.7747 177.9000 101 E 3.9230 7.9436 118.2579 59.2827 29.5193 178.3993 102 F 3.9004 8.0285 119.4774 61.2778 39.8213 175.9866 103 Y 3.8237 8.4852 119.6647 60.5036 39.1748 178.7795 104 T 4.4739 7.8738 109.4321 60.4981 67.7385 173.0264 105 E 4.4624 7.0999 123.1729 57.5420 35.6996 175.1911 106 Y 4.4409 7.1270 114.6366 57.3096 38.9080 176.8324 *107 Y 3.4630 7.6289 122.9879 60.2724 37.8195 178.5781 108 K 3.9693 7.8130 120.9060 57.3905 32.1730 180.3180 109 T 4.0648 7.5585 120.2673 64.0464 68.8723 175.6709 110 N 4.4905 8.8166 128.1646 57.1511 37.6178 173.9985 111 S 4.3260 7.9442 114.5853 61.8904 63.4924 176.5188 112 I 3.6955 7.6613 123.4806 63.9057 36.7184 177.7927 113 N 4.4337 8.7749 120.3911 56.5790 38.5500 177.5732 114 E 4.0736 8.0877 120.2213 61.3082 29.7584 184.1885 115 K 4.2797 8.0551 119.9482 59.3762 32.1802 179.4894 116 M 4.2094 8.3299 118.7652 57.8951 31.7773 178.5444 117 N 4.5130 7.9230 118.2568 56.7203 38.7596 178.0516 118 K 4.1898 7.6792 123.6116 59.5975 31.7776 180.3328 119 L 4.3751 7.7273 119.5534 58.5556 42.1344 178.7269 120 Q 4.1129 8.0321 119.0428 59.2247 28.9642 177.6095 121 N 4.4434 8.9008 117.9916 56.4797 38.3225 177.4316 122 K 4.2468 7.7199 118.7132 59.6240 31.9430 178.3785 123 Y 4.6261 8.0991 119.3566 61.0463 38.7961 178.1342 124 I 3.8691 8.4953 121.0909 64.3287 37.0626 178.0299 125 D 4.4632 8.3663 119.8245 57.2487 40.6888 178.5475 126 A 3.8641 7.6760 120.4666 55.3799 18.1613 179.3993 127 Y 3.7098 7.6401 114.5329 61.2512 38.0241 177.3978 128 H 4.6178 8.3360 120.6874 58.7650 29.7767 177.0712 129 V 3.6636 8.1405 119.6745 66.2083 31.4053 177.6247 130 I 3.7608 7.5187 118.9882 64.8238 36.9778 178.4050 131 F 4.8590 8.4682 118.4698 60.5337 38.9355 177.6320 132 K 4.0223 8.6056 119.6704 59.8974 31.9288 178.7187 133 E 4.1592 8.8182 119.1996 59.1957 29.2876 179.5492 134 G 3.0568 8.4685 106.0641 47.3476 0.0000 175.5122 135 N 4.6055 8.4020 120.0689 55.7041 38.5380 177.1778 136 L 4.2781 7.6040 116.6186 56.1426 41.6273 177.3528 137 N 4.8012 7.1732 113.9481 52.0254 39.4112 174.3994 138 G 3.9537 8.0398 105.4766 46.6081 0.0000 175.5612 139 E 3.8687 7.8036 121.7500 58.1463 29.2189 176.5999 140 W 4.6237 6.6742 113.7197 55.9865 30.3808 172.7516 141 S 4.8051 8.7972 112.1737 56.6822 63.2297 172.8974 142 I 4.4226 8.8940 129.4879 59.4218 38.7891 175.8496 143 N 4.5426 8.8077 123.3612 54.0378 38.6790 174.9777 144 D 4.9621 7.4828 118.6596 51.9646 39.4651 176.9423 145 V 3.4201 7.6084 121.7974 66.7807 32.1349 176.3322 146 N 4.3842 8.2449 115.4689 56.4011 38.4328 176.9134 147 A 3.9164 7.8610 121.3599 55.3422 18.6961 179.7197 148 V 3.5094 7.7218 116.3535 65.9403 31.5089 178.5829 149 S 4.3805 8.1695 115.1294 61.6925 62.7724 176.7392 150 K 4.0256 8.0034 120.9690 59.3461 31.7262 179.6398 151 I 3.6926 7.8888 119.9320 64.1999 37.0869 178.1623 152 A 3.5157 7.9353 121.2498 54.9588 18.1747 179.1563 153 A 3.6221 7.0926 119.0325 55.7089 18.5165 179.6936 154 N 4.3504 7.9653 113.7514 55.8076 38.6353 177.7439 155 A 3.8459 8.3594 122.8233 55.1465 18.4239 179.8398 156 V 3.1846 7.8601 117.1183 65.9953 31.5699 177.8110 157 N 4.2514 8.3373 116.4394 56.2304 38.2971 177.4787 158 G 3.7341 7.8390 106.4148 48.1058 0.0000 175.8380 159 I 3.7172 7.3178 121.2716 63.8242 37.0916 178.4946 160 V 3.6369 7.5963 118.6238 66.0841 31.4283 177.7637 161 T 3.9303 7.8794 114.3993 65.2074 68.5858 175.6804 162 F 4.8343 7.8894 116.8587 57.7661 39.4163 176.3349 163 T 4.1432 7.5311 117.8107 66.3161 69.5719 178.0140 164 H 3.4420 8.5525 117.5527 59.3529 31.5709 176.7153 165 E 4.1094 8.5535 117.2539 59.1208 29.5605 179.9074 166 Q 4.4437 7.2693 117.3059 54.8300 29.9831 176.0485 167 N 4.6797 8.3562 117.3967 52.5928 39.8895 176.0075 168 I 3.6893 8.2575 121.5192 64.2867 37.9460 178.1656 169 N 4.3312 8.0211 117.0442 56.1963 38.4513 176.7199 170 E 3.9477 8.1489 120.2055 59.4667 29.7929 178.8802 171 R 3.9536 7.9793 117.8351 59.3471 30.0204 179.1870 172 I 3.8605 7.9220 121.7771 64.6548 37.0110 179.1174 173 K 4.0026 8.2495 124.6631 59.8504 31.5868 180.8886 174 L 4.2267 8.1717 120.7492 57.8699 41.5528 179.1863 175 M 4.0430 8.1350 117.8373 59.1378 32.1456 178.0868 176 N 4.5863 8.5488 116.4913 56.1762 38.6377 177.3880 177 K 4.0808 8.5599 121.6931 59.2963 32.2483 178.6685 178 F 4.1717 8.9080 121.3315 61.6015 39.5089 177.0919 179 S 3.9786 8.5270 115.1140 61.6113 62.5381 176.7883 180 Q 4.0744 7.8844 123.2901 58.7933 29.0916 178.0437 181 I 3.6675 7.8183 120.8908 64.3319 36.9210 178.2205 182 F 3.7088 7.9129 120.3905 61.3187 39.7204 177.1129 183 L 3.9132 7.7786 117.7866 57.3621 41.0949 178.9850 184 N 4.5791 8.1605 117.4951 56.2084 38.7095 176.7053 185 G 3.5598 7.5161 104.9477 46.2633 0.0000 174.9657 186 L 4.0258 7.0297 118.9015 56.4783 41.8530 176.9140 187 S 4.3447 7.5276 119.3623 58.7249 62.8101 173.8469 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.28 4.70 0.00 2.75 2.85 0.00 0.00 6.72 5.78 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 3 L 7.98 3.81 0.00 1.91 1.69 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.78 3.95 0.00 1.64 1.77 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.64 1.43 7.81 5 D 8.07 4.52 0.00 2.91 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 K 8.37 3.94 0.00 1.94 2.05 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 7 I 7.98 3.68 2.15 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.62 0.90 0.00 0.00 8 L 7.94 3.96 0.00 1.72 1.68 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.89 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.06 3.56 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 1.01 0.00 0.00 0.98 0.00 0.00 11 A 8.34 3.56 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 12 K 8.70 3.91 0.00 1.88 2.01 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 13 E 8.03 3.95 0.00 2.12 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 2.49 2.49 0.00 14 L 8.02 3.88 0.00 1.40 1.44 0.73 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.11 4.66 0.00 3.37 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 16 I 7.97 3.72 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.89 0.00 0.00 17 K 8.18 4.15 0.00 1.73 1.82 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 18 N 8.44 4.77 0.00 2.77 2.78 0.00 0.00 7.15 7.21 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 19 G 8.52 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 20 Y 8.71 4.10 0.00 2.58 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 21 N 8.67 4.22 0.00 2.85 2.87 0.00 0.00 7.09 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 22 A 7.96 4.07 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 23 T 7.48 4.10 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 0.78 0.00 0.00 24 T 8.78 4.46 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 1.23 0.00 0.00 25 T 8.34 4.09 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 26 G 8.05 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.94 0.00 2.15 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 2.29 2.32 0.00 28 I 7.31 3.59 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 0.83 0.00 0.00 29 V 8.25 3.65 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 1.09 0.00 0.00 1.02 0.00 0.00 30 K 8.21 3.99 0.00 1.82 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.35 7.81 31 L 8.19 4.36 0.00 1.64 1.72 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.64 4.54 0.00 4.05 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 33 E 7.88 3.78 0.00 2.17 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 2.25 2.22 0.00 34 S 8.28 4.71 0.00 3.80 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 35 S 8.30 4.80 0.00 4.06 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 36 K 8.89 4.01 0.00 1.86 1.99 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.57 7.81 37 G 8.15 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 38 N 7.97 4.42 0.00 2.94 3.05 0.00 0.00 6.96 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 39 L 8.31 4.27 0.00 1.92 1.97 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.53 4.02 0.00 3.27 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 41 Y 8.62 4.06 0.00 2.93 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 42 H 7.85 3.86 0.00 2.65 1.52 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.46 4.75 0.00 3.01 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.25 3.69 0.00 1.83 1.70 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.00 1.13 7.81 45 T 7.19 4.86 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 46 K 8.75 4.03 0.00 1.94 2.00 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.68 1.77 7.81 47 E 8.30 4.08 0.00 2.02 1.74 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 1.57 1.84 0.00 48 N 8.24 4.40 0.00 2.81 3.09 0.00 0.00 6.84 5.98 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 49 L 8.09 3.57 0.00 1.83 1.87 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.29 3.66 0.00 2.81 2.35 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 51 L 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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 0.00 0.00 0.00 0.00 60 K 8.29 4.03 0.00 2.04 1.96 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.67 7.81 61 W 8.40 4.45 0.00 3.30 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.44 4.00 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.86 0.00 63 E 8.60 3.90 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 64 Q 8.66 3.98 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 65 W 8.40 4.34 0.00 2.66 2.94 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 66 K 7.88 3.56 0.00 1.89 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.36 7.81 67 K 7.50 4.20 0.00 2.01 1.82 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.68 4.19 0.00 1.81 1.75 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.34 7.81 119 L 7.73 4.38 0.00 1.97 1.92 1.00 0.48 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 0.00 120 Q 8.03 4.11 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 121 N 8.90 4.44 0.00 2.98 2.93 0.00 0.00 6.99 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.72 4.25 0.00 1.98 2.00 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.70 7.81 123 Y 8.10 4.63 0.00 3.03 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.50 3.87 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 1.00 0.00 0.00 125 D 8.37 4.46 0.00 2.94 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 0.00 126 A 7.68 3.86 0.74 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 0.00 0.00 127 Y 7.64 3.71 0.00 3.20 3.11 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 0.00 0.00 0.00 0.00 128 H 8.34 4.62 0.00 3.34 3.57 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.14 3.66 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 1.10 0.00 0.00 1.04 0.00 0.00 130 I 7.52 3.76 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.52 0.95 0.00 0.00 131 F 8.47 4.86 0.00 3.24 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 0.00 132 K 8.61 4.02 0.00 1.95 2.13 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.57 7.81 133 E 8.82 4.16 0.00 2.22 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 2.59 2.49 0.00 134 G 8.47 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 0.00 0.00 0.00 135 N 8.40 4.61 0.00 3.06 2.93 0.00 0.00 6.71 6.29 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 0.00 136 L 7.60 4.28 0.00 1.75 1.70 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 137 N 7.17 4.80 0.00 2.48 2.64 0.00 0.00 6.90 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 0.00 138 G 8.04 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 0.00 139 E 7.80 3.87 0.00 1.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.82 0.00 140 W 6.67 4.62 0.00 3.41 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.80 4.81 0.00 3.84 3.81 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 0.00 142 I 8.89 4.42 1.80 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.71 0.78 0.00 0.00 143 N 8.81 4.54 0.00 2.80 2.93 0.00 0.00 6.09 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 0.00 144 D 7.48 4.96 0.00 2.75 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 0.00 145 V 7.61 3.42 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 0.91 0.00 0.00 1.01 0.00 0.00 146 N 8.24 4.38 0.00 2.88 2.91 0.00 0.00 7.01 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 0.00 147 A 7.86 3.92 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 0.00 148 V 7.72 3.51 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 0.36 0.00 0.00 0.68 0.00 0.00 149 S 8.17 4.38 0.00 4.25 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.00 4.03 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.69 7.81 151 I 7.89 3.69 2.13 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 1.49 0.74 1.13 0.00 0.00 152 A 7.94 3.52 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.09 3.62 1.26 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 0.00 0.00 154 N 7.97 4.35 0.00 2.80 2.86 0.00 0.00 6.99 8.88 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 0.00 155 A 8.36 3.85 1.15 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 0.00 0.00 156 V 7.86 3.18 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 1.05 0.00 0.00 0.84 0.00 0.00 157 N 8.34 4.25 0.00 2.85 2.71 0.00 0.00 6.91 7.21 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 0.00 158 G 7.84 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 0.00 159 I 7.32 3.72 1.78 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.85 0.00 0.00 160 V 7.60 3.64 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 0.65 0.00 0.00 0.87 0.00 0.00 161 T 7.88 3.93 3.43 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 0.42 0.00 0.00 162 F 7.89 4.83 0.00 3.10 2.95 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 0.00 163 T 7.53 4.14 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 1.24 0.00 0.00 164 H 8.55 3.44 0.00 3.15 3.51 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.55 4.11 0.00 1.98 1.90 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 2.28 2.21 0.00 166 Q 7.27 4.44 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 167 N 8.36 4.68 0.00 2.92 2.96 0.00 0.00 5.56 7.60 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 0.00 168 I 8.26 3.69 1.55 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.11 0.80 0.00 0.00 169 N 8.02 4.33 0.00 2.78 2.85 0.00 0.00 6.80 7.66 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 0.00 170 E 8.15 3.95 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 171 R 7.98 3.95 0.00 2.12 2.01 0.00 3.34 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 172 I 7.92 3.86 2.03 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 1.41 0.73 0.96 0.00 0.00 173 K 8.25 4.00 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 174 L 8.17 4.23 0.00 1.88 1.81 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 175 M 8.14 4.04 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 176 N 8.55 4.59 0.00 3.11 3.09 0.00 0.00 6.73 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 8.56 4.08 0.00 2.03 2.10 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.58 7.81 178 F 8.91 4.17 0.00 3.18 3.26 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 0.00 179 S 8.53 3.98 0.00 3.77 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 0.00 180 Q 7.88 4.07 0.00 2.50 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 181 I 7.82 3.67 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.91 0.00 0.00 182 F 7.91 3.71 0.00 2.14 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 0.00 183 L 7.78 3.91 0.00 2.00 1.76 0.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.16 4.58 0.00 2.96 2.89 0.00 0.00 6.93 8.07 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 0.00 185 G 7.52 3.56 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 0.00 0.00 0.00 186 L 7.03 4.03 0.00 1.64 1.51 0.25 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.53 4.34 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.