NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 K 4.2138 8.4145 119.9969 56.8212 33.5304 177.4681 54 R 4.4686 8.6606 118.7785 54.4230 31.0794 171.9846 55 K 5.4893 8.7222 123.6328 53.2002 35.2230 175.1038 56 V 4.7215 8.6342 124.3928 61.4354 33.5717 174.0536 57 I 4.7235 8.9312 129.3002 59.5766 40.0320 174.7532 58 L 4.8485 8.5482 126.9665 53.8706 42.8499 174.8394 59 Y 5.1866 8.6833 125.9969 55.6848 40.6442 174.7736 60 A 4.8626 8.4124 127.8192 50.2804 22.8322 174.5639 61 R 5.3487 8.3715 119.3322 54.8295 33.8954 174.6164 62 V 4.5718 8.1536 116.2435 59.6287 35.7804 176.6889 63 S 4.4212 8.9633 118.9503 60.6876 63.4322 174.5196 64 S 4.7528 8.4792 112.6113 55.9069 65.4033 174.6479 65 S 4.3251 8.5909 118.2423 60.6731 63.0166 175.6683 66 T 4.0238 8.0602 111.6251 64.1489 68.9802 175.7423 67 Q 4.5313 7.8966 120.2268 55.5834 28.7485 177.5397 68 K 3.9790 7.9049 123.3987 60.4004 32.5481 178.5857 69 D 4.3556 8.0406 119.5988 57.1200 40.7148 178.3044 70 D 4.3945 7.9664 119.0378 57.0499 40.7426 178.3444 71 L 3.9245 8.0766 121.0963 58.0955 42.1100 179.1375 72 V 3.5531 7.5196 118.1042 66.0500 31.3412 177.5236 73 N 4.3340 7.9676 116.3819 56.6868 38.7710 176.6465 74 Q 3.9662 8.3904 121.4690 58.9962 29.0937 178.4520 75 V 3.5542 8.2348 122.0772 66.6317 31.6342 178.8761 76 K 4.0177 8.1509 123.4379 59.7950 31.5070 180.2195 77 Y 4.2407 8.3408 120.5367 60.6910 38.7343 178.1758 78 L 3.6118 7.8566 119.8840 57.7441 41.4680 179.3687 79 E 3.6196 7.8289 119.9195 59.8830 29.4100 179.6066 80 E 4.1086 7.8212 117.5587 61.0887 29.8191 181.1416 81 Q 4.2410 7.5025 117.9764 56.9217 28.9005 176.8567 82 V 4.2615 7.1780 121.8379 61.2590 33.0224 176.0446 83 K 4.0953 9.1396 131.7129 57.6401 31.7938 173.9307 84 E 4.6542 8.1468 116.5731 53.7291 31.3601 176.4717 85 Y 5.0016 7.5204 121.7436 54.1772 41.4375 175.2044 86 D 4.5676 8.7480 123.3303 57.3484 42.0750 176.3469 87 Q 4.9111 8.0809 115.1721 54.2397 33.8013 173.8616 88 V 4.8052 8.4803 121.0309 61.2777 34.0079 174.6181 89 I 4.7584 9.0225 129.1828 59.6706 40.0637 174.8073 90 T 5.3556 8.3439 115.4797 59.0258 72.2127 172.7532 91 D 4.9882 8.2547 120.8790 52.7305 45.7965 174.1896 92 I 4.8832 9.7011 121.4271 58.3488 39.2963 175.6578 93 G 4.2846 7.8457 114.7262 43.7711 0.0000 171.7870 94 S 4.3006 7.9349 114.5260 57.5793 62.8997 175.0330 95 G 3.7220 8.4756 113.2415 47.4784 0.0000 174.3364 96 L 4.1932 7.6133 118.8384 55.2342 42.0836 176.2364 97 N 4.5361 7.8471 118.9239 53.3037 38.8724 174.4702 98 M 4.2945 8.6095 124.5077 55.8226 32.5857 176.7062 99 K 4.6285 7.7877 117.4662 56.0262 32.9112 176.9294 100 R 4.1176 7.9392 119.5181 56.0989 31.1578 177.4331 101 K 4.1639 8.8901 123.7036 59.5347 32.2366 179.6680 102 G 3.7454 8.4710 105.5615 47.6676 0.0000 175.3605 103 F 4.1030 8.7916 123.1424 61.1923 39.5248 177.2800 104 L 3.9635 8.2428 118.6197 57.4480 41.3031 179.4750 105 K 3.8664 8.0993 119.6763 59.3513 32.1970 178.6040 106 L 3.8663 7.8401 120.5440 58.0784 42.1061 178.6323 107 L 3.6769 7.8830 120.5831 58.1239 41.7114 179.1073 108 R 3.8579 7.9847 117.1849 59.5087 30.2029 178.6063 109 M 4.1681 8.2592 118.8339 58.5242 31.8239 178.9075 110 I 3.6633 7.7041 119.8750 64.1955 37.0342 178.1054 111 L 3.7841 7.6059 117.8918 56.0539 41.4553 177.6585 112 N 4.7202 7.8811 116.2736 52.0622 39.6622 173.6917 113 N 4.2140 7.7934 114.3082 55.1324 36.8251 174.4884 114 E 4.4730 8.0065 114.9025 55.9442 31.2828 175.7286 115 V 4.7645 7.4952 119.5438 61.0372 32.9987 175.3241 116 S 4.5243 9.0068 124.1861 61.2885 64.1905 174.2691 117 R 5.1322 7.7996 118.7775 54.5433 33.7524 173.5602 118 V 4.8670 9.2891 124.6061 61.0373 34.7348 174.2261 119 V 4.9777 9.3987 128.2264 61.2814 34.1211 174.6478 120 V 4.9175 8.7163 119.8710 59.3810 35.5864 176.6071 121 A 4.0289 8.7490 124.6507 54.8225 19.5198 177.2769 122 Y 5.4588 7.5569 109.9502 54.5829 42.1623 174.5474 123 P 4.4067 0.0000 0.0000 65.0758 31.7526 178.5070 124 D 4.3127 8.2412 116.9608 57.3542 41.1002 177.8711 125 R 4.2275 7.8111 117.5925 59.3118 30.1655 178.8327 126 L 4.2114 7.7095 117.7002 56.4108 42.1399 177.5545 127 V 4.6356 6.8759 109.2404 59.9128 35.8170 174.8660 128 R 3.7627 8.5613 122.8757 58.6912 29.4048 176.7346 129 F 5.1105 7.5429 114.8377 56.4847 42.4852 174.9028 130 G 3.9361 9.0070 108.7035 46.9734 0.0000 175.9523 131 F 4.1414 7.8062 121.1902 60.9192 39.1759 176.3410 132 E 4.3626 8.3082 119.3580 58.8389 29.2836 179.0990 133 I 3.7077 7.6802 119.8420 64.3385 37.1745 178.4075 134 L 3.9280 7.7625 119.2964 57.7426 40.9632 179.2820 135 E 3.8748 7.8385 118.4492 59.5106 28.9982 179.3231 136 E 4.0311 8.4270 118.8396 59.2650 29.2464 179.5847 137 V 3.5993 7.9420 118.0099 66.0352 31.7932 177.3577 138 C 4.2416 8.4698 119.0844 62.3411 31.2285 175.6633 139 K 3.9190 7.9230 118.9528 59.9155 32.0374 178.6208 140 A 4.1400 7.6370 120.8359 54.3130 18.1805 177.8454 141 H 4.6796 8.3589 114.1711 55.5743 29.3539 175.6583 142 G 4.1249 8.4447 105.1331 46.2181 0.0000 173.3961 143 C 5.4524 7.3681 118.3180 56.5218 34.1745 172.6619 144 E 4.7250 8.5548 123.3067 54.4157 32.8648 174.3439 145 I 4.7555 8.4502 126.9614 59.9607 38.7730 174.9091 146 V 4.3164 8.7892 128.5942 61.1773 33.4496 174.6388 147 V 4.9746 8.3777 127.6423 61.2155 32.7713 175.1185 148 I 4.0756 8.7326 122.5519 62.6638 38.4545 175.7477 149 N 4.7927 8.4026 120.2702 51.1701 41.7689 174.6578 150 Q 4.5044 8.5313 128.9686 53.8011 27.6580 173.5404 151 E 4.6391 7.6327 119.6598 55.1799 33.2163 173.1698 152 D 4.7136 8.2768 121.5271 52.3725 43.0567 176.5877 153 K 4.2845 7.2869 122.4193 54.6478 34.8248 177.1040 154 E 3.8870 8.5951 129.1701 60.2151 29.6654 179.6629 155 E 3.9825 8.0445 117.8237 61.0568 29.6555 180.3067 156 E 4.0821 8.0111 119.5907 58.9991 29.8402 178.5475 157 L 3.8634 7.6920 120.0090 58.0853 42.1787 179.1352 158 V 3.6325 7.7569 120.2044 66.5904 31.5017 178.4336 159 E 3.9935 7.9346 118.1890 61.2458 29.5622 180.8248 160 D 4.5473 7.8359 120.0754 57.1154 40.8047 178.6514 161 L 3.9692 7.8258 120.6125 58.0899 42.0146 179.1823 162 V 3.5939 7.7497 118.1554 66.0960 31.3755 178.2034 163 S 4.1738 7.9590 114.3700 61.7070 62.6869 176.7366 164 I 3.9257 7.7042 121.9812 64.4998 36.8970 178.4972 165 L 3.9860 8.3586 120.2471 57.7033 41.1528 179.7413 166 V 3.9387 8.1557 119.9930 65.5029 31.5665 178.0643 167 S 4.1704 8.5640 113.1668 61.6116 62.3415 176.1261 168 F 4.0470 8.8149 120.7614 60.4256 38.5403 177.8222 169 S 4.5684 8.4590 114.2280 61.5661 62.7567 176.8856 170 G 3.6229 7.9820 109.3549 47.3107 0.0000 175.6294 171 K 3.9350 7.9768 121.6592 59.0826 32.1440 179.0210 172 L 4.0375 8.1119 119.3346 58.0347 41.5911 178.8395 173 Y 4.2905 8.1781 119.7435 60.6492 38.4082 178.2668 174 G 3.5079 8.1659 106.4248 47.0464 0.0000 174.4866 175 M 4.3607 7.5331 116.0001 53.9118 31.7949 175.9922 176 R 3.8956 8.1654 117.2014 57.3647 28.4414 176.6547 177 S 4.2825 8.4615 113.9707 59.0593 63.0108 174.5654 *178 H 4.3477 8.8209 122.5996 57.0023 27.9761 176.1966 179 K 4.4626 8.1529 115.9638 56.9458 32.8422 177.8020 180 Y 4.2311 8.1243 120.6699 60.5870 38.9137 177.9214 181 E 3.5048 8.0838 119.8265 59.2918 29.5663 179.4354 182 K 3.9511 7.8357 117.8595 59.2999 31.9805 179.3936 183 V 3.6064 7.5923 120.9559 66.5430 31.1874 178.8857 184 K 3.9346 7.2324 122.1212 59.4364 31.3060 180.9539 185 K 4.9042 7.6100 120.8738 59.3579 32.1869 178.3074 186 C 4.0276 7.7659 118.5059 62.3043 31.4121 175.7878 187 V 3.5542 7.5804 119.9754 65.9405 31.1090 177.8238 188 E 3.9780 7.8381 117.2255 59.5045 29.0724 178.8866 189 E 3.9163 8.1372 118.8964 59.2793 29.6438 179.1355 190 L 4.1538 8.0507 117.9759 57.1054 41.7066 179.3917 191 K 4.0835 8.3188 118.1582 60.6177 32.1583 176.6602 192 N 4.3275 7.3769 118.9393 52.5097 37.9827 174.3594 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 53 K 8.41 4.21 0.00 1.88 1.40 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.44 7.81 54 R 8.66 4.47 0.00 1.68 1.74 0.00 3.23 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.30 0.00 55 K 8.72 5.49 0.00 2.17 1.74 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.38 7.81 56 V 8.63 4.72 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 1.06 0.00 0.00 0.96 0.00 0.00 57 I 8.93 4.72 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.99 0.00 0.00 58 L 8.55 4.85 0.00 1.56 1.49 -0.11 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.68 5.19 0.00 3.04 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 60 A 8.41 4.86 1.11 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 0.00 0.00 61 R 8.37 5.35 0.00 1.81 1.85 0.00 3.34 0.00 0.00 3.20 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 62 V 8.15 4.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 63 S 8.96 4.42 0.00 3.88 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 64 S 8.48 4.75 0.00 3.81 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 65 S 8.59 4.33 0.00 4.02 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 66 T 8.06 4.02 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 67 Q 7.90 4.53 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 68 K 7.90 3.98 0.00 1.97 2.21 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.53 7.81 69 D 8.04 4.36 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.97 4.39 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.08 3.92 0.00 1.86 1.81 0.89 0.64 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 72 V 7.52 3.55 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 0.94 0.00 0.00 0.99 0.00 0.00 73 N 7.97 4.33 0.00 2.87 3.02 0.00 0.00 6.86 8.42 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 74 Q 8.39 3.97 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 75 V 8.23 3.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.88 0.00 0.00 76 K 8.15 4.02 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 77 Y 8.34 4.24 0.00 2.97 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 78 L 7.86 3.61 0.00 1.74 1.48 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.83 3.62 0.00 2.03 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 1.67 2.25 0.00 80 E 7.82 4.11 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 81 Q 7.50 4.24 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.60 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 82 V 7.18 4.26 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 0.82 0.00 0.00 0.89 0.00 0.00 83 K 9.14 4.10 0.00 1.82 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.01 7.81 84 E 8.15 4.65 0.00 1.95 1.75 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 2.12 1.82 0.00 85 Y 7.52 5.00 0.00 3.03 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 86 D 8.75 4.57 0.00 2.63 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.08 4.91 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 88 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 0.78 0.00 0.00 1.02 0.00 0.00 89 I 9.02 4.76 2.04 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 1.34 0.57 1.09 0.00 0.00 90 T 8.34 5.36 4.12 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 1.13 0.00 0.00 91 D 8.25 4.99 0.00 2.61 2.61 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 92 I 9.70 4.88 1.88 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 1.28 0.47 0.92 0.00 0.00 93 G 7.85 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 0.00 0.00 0.00 0.00 94 S 7.93 4.30 0.00 3.87 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 95 G 8.48 3.72 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 0.00 0.00 0.00 96 L 7.61 4.19 0.00 1.68 1.77 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 97 N 7.85 4.54 0.00 2.81 2.71 0.00 0.00 7.12 6.96 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 98 M 8.61 4.29 0.00 2.10 2.11 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 2.60 2.50 0.00 99 K 7.79 4.63 0.00 1.88 1.82 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 100 R 7.94 4.12 0.00 2.08 2.46 0.00 3.18 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 101 K 8.89 4.16 0.00 1.85 1.91 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.55 7.81 102 G 8.47 3.75 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 0.00 0.00 0.00 103 F 8.79 4.10 0.00 3.24 3.33 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 0.00 104 L 8.24 3.96 0.00 1.80 1.72 1.02 0.74 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 0.00 105 K 8.10 3.87 0.00 1.97 1.99 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.61 7.81 106 L 7.84 3.87 0.00 1.83 1.76 0.87 0.29 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 0.00 107 L 7.88 3.68 0.00 1.19 1.52 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.98 3.86 0.00 2.07 1.94 0.00 3.37 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 109 M 8.26 4.17 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 110 I 7.70 3.66 1.86 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 1.45 0.95 0.83 0.00 0.00 111 L 7.61 3.78 0.00 1.72 1.62 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 112 N 7.88 4.72 0.00 2.62 3.02 0.00 0.00 7.21 7.55 0.00 0.00 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 N 7.79 4.21 0.00 2.86 2.88 0.00 0.00 6.74 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 0.00 114 E 8.01 4.47 0.00 1.98 1.93 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 2.29 2.42 0.00 115 V 7.50 4.76 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 0.94 0.00 0.00 0.90 0.00 0.00 116 S 9.01 4.52 0.00 3.97 4.11 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 0.00 117 R 7.80 5.13 0.00 1.88 1.76 0.00 3.14 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 118 V 9.29 4.87 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 1.07 0.00 0.00 0.90 0.00 0.00 119 V 9.40 4.98 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 0.96 0.00 0.00 0.95 0.00 0.00 120 V 8.72 4.92 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 0.96 0.00 0.00 1.16 0.00 0.00 121 A 8.75 4.03 1.04 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 0.00 122 Y 7.56 5.46 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.41 0.00 1.86 1.22 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 124 D 8.24 4.31 0.00 2.65 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 0.00 125 R 7.81 4.23 0.00 2.23 2.29 0.00 3.48 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 126 L 7.71 4.21 0.00 2.05 1.88 0.99 0.61 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 0.00 127 V 6.88 4.64 2.29 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 0.53 0.00 0.00 1.13 0.00 0.00 128 R 8.56 3.76 0.00 1.57 1.36 0.00 3.33 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.83 0.00 129 F 7.54 5.11 0.00 3.14 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 0.00 130 G 9.01 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 0.00 0.00 0.00 131 F 7.81 4.14 0.00 3.19 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 0.00 132 E 8.31 4.36 0.00 2.17 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 2.49 2.48 0.00 133 I 7.68 3.71 2.04 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 1.55 0.57 0.92 0.00 0.00 134 L 7.76 3.93 0.00 1.42 1.45 0.89 0.98 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 0.00 135 E 7.84 3.87 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 2.15 0.00 136 E 8.43 4.03 0.00 2.09 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 2.34 2.47 0.00 137 V 7.94 3.60 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 0.73 0.00 0.00 0.95 0.00 0.00 138 C 8.47 4.24 0.00 3.19 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 0.00 139 K 7.92 3.92 0.00 1.96 2.03 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.44 7.81 140 A 7.64 4.14 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 0.00 141 H 8.36 4.68 0.00 3.12 3.31 0.00 5.73 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 0.00 142 G 8.44 4.12 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 0.00 0.00 0.00 143 C 7.37 5.45 0.00 3.13 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.55 4.73 0.00 2.05 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 0.00 2.28 2.32 0.00 145 I 8.45 4.76 1.95 0.00 0.00 0.55 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 0.68 1.06 0.00 0.00 146 V 8.79 4.32 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 0.94 0.00 0.00 0.96 0.00 0.00 147 V 8.38 4.97 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 0.96 0.00 0.00 1.04 0.00 0.00 148 I 8.73 4.08 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.86 0.00 0.00 149 N 8.40 4.79 0.00 2.67 2.92 0.00 0.00 6.45 6.79 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 0.00 150 Q 8.53 4.50 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 151 E 7.63 4.64 0.00 1.93 1.82 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 2.06 2.26 0.00 152 D 8.28 4.71 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 0.00 153 K 7.29 4.28 0.00 1.36 1.41 0.00 1.13 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.18 1.32 7.81 154 E 8.60 3.89 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 155 E 8.04 3.98 0.00 2.01 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 2.31 1.94 0.00 156 E 8.01 4.08 0.00 1.98 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 2.52 2.37 0.00 157 L 7.69 3.86 0.00 1.93 1.58 0.86 0.91 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 0.00 158 V 7.76 3.63 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 0.91 0.00 0.00 0.92 0.00 0.00 159 E 7.93 3.99 0.00 1.96 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 2.24 2.23 0.00 160 D 7.84 4.55 0.00 2.84 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 0.00 161 L 7.83 3.97 0.00 1.77 1.79 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.75 3.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.02 0.00 0.00 163 S 7.96 4.17 0.00 3.98 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 0.00 164 I 7.70 3.93 2.06 0.00 0.00 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 1.83 0.88 0.98 0.00 0.00 165 L 8.36 3.99 0.00 1.89 1.73 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.16 3.94 2.32 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 1.41 0.00 0.00 1.01 0.00 0.00 167 S 8.56 4.17 0.00 3.98 4.12 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 0.00 168 F 8.81 4.05 0.00 3.29 3.17 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 0.00 0.00 0.00 0.00 169 S 8.46 4.57 0.00 4.47 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 0.00 170 G 7.98 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 7.98 3.93 0.00 1.94 1.76 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.65 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.40 7.81 172 L 8.11 4.04 0.00 2.14 1.88 1.11 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 173 Y 8.18 4.29 0.00 2.08 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 8.17 3.51 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 0.00 175 M 7.53 4.36 0.00 2.16 2.14 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 2.54 2.77 0.00 176 R 8.17 3.90 0.00 1.94 2.07 0.00 3.29 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 177 S 8.46 4.28 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *178 H 8.82 4.35 0.00 2.97 2.97 0.00 7.24 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 0.00 179 K 8.15 4.46 0.00 1.85 1.90 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.54 7.81 180 Y 8.12 4.23 0.00 3.05 3.01 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 0.00 181 E 8.08 3.50 0.00 1.94 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 2.33 0.00 182 K 7.84 3.95 0.00 1.74 1.80 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.45 7.81 183 V 7.59 3.61 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 1.03 0.00 0.00 0.97 0.00 0.00 184 K 7.23 3.93 0.00 1.85 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 185 K 7.61 4.90 0.00 1.70 1.85 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.24 7.81 186 C 7.77 4.03 0.00 3.10 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 7.58 3.55 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 1.00 0.00 0.00 0.98 0.00 0.00 188 E 7.84 3.98 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 2.45 2.44 0.00 189 E 8.14 3.92 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 190 L 8.05 4.15 0.00 1.76 1.71 0.95 0.80 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 0.00 191 K 8.32 4.08 0.00 1.73 1.86 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.56 7.81 192 N 7.38 4.33 0.00 2.72 2.66 0.00 0.00 6.73 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 * Residues marked with a * may have inaccurate shift predictions.