NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2359 8.1185 123.5709 52.2746 21.0181 179.0423 3 A 3.7450 7.9130 118.6733 55.2127 18.4095 177.3654 4 N 4.5138 8.6935 110.5748 54.6189 39.5076 174.0202 5 K 4.6382 7.3565 116.7027 55.9477 32.9517 176.4094 6 E 4.1728 7.9896 122.9726 56.6566 30.6608 175.9474 7 R 5.2578 8.4687 123.0228 54.8409 34.3878 174.2683 8 T 4.8008 8.6805 115.2952 60.4947 72.0565 171.8690 9 F 5.4165 8.7902 127.0291 56.6881 41.5899 174.2731 10 I 4.5841 8.0200 126.2311 59.5130 41.0110 174.1887 11 M 4.7129 7.8702 124.5679 53.6267 35.8735 173.7486 12 V 4.2953 8.5200 126.7360 62.2626 32.9815 175.9635 13 K 4.5225 8.8783 127.8864 55.1641 33.3778 176.3731 14 P 4.3714 0.0000 0.0000 65.2771 31.0437 178.7314 15 D 4.4987 8.0370 116.8189 56.3157 39.2532 178.9411 16 G 3.5696 8.0531 107.3432 47.4470 0.0000 176.0001 17 V 3.5638 7.6483 120.1037 66.0217 31.5391 177.9772 18 Q 4.0708 8.0764 116.5363 58.6929 28.5709 178.1765 19 R 4.3967 7.9043 116.4611 54.9386 30.8380 176.4114 20 G 3.8206 7.9381 106.3514 47.2555 0.0000 174.6112 21 L 4.3635 7.8061 116.0257 54.1102 43.0170 179.2603 22 V 3.6125 7.9017 120.1205 66.1353 31.3632 178.1158 23 G 3.6173 7.9484 104.7829 47.7924 0.0000 175.5104 24 K 4.0017 7.9390 120.5663 59.2163 31.8618 179.4030 25 I 3.8264 7.7447 120.0325 64.4624 37.0734 178.5271 26 I 4.0702 7.9352 120.7087 64.4876 36.9286 178.0268 27 E 4.0267 8.7179 120.5642 59.4626 29.3829 179.1332 28 R 3.9978 7.8954 118.0140 59.1776 29.5175 179.0939 29 F 3.8022 7.7187 116.2178 60.1572 38.5699 177.7278 30 E 4.2933 8.3888 118.5510 59.5921 29.1273 179.4904 31 Q 3.9969 8.0789 116.4730 59.0464 28.6863 178.1718 32 K 3.9189 7.3622 119.6447 58.2184 32.2663 177.0683 33 G 3.8248 7.4014 104.5732 44.9922 0.0000 174.1432 34 F 4.8786 7.4562 117.9795 57.5537 40.0577 174.6289 35 K 4.7773 9.3457 123.6142 54.7302 33.8222 175.2358 36 L 3.1892 8.8511 130.2065 54.9136 42.1577 176.2729 37 V 4.4275 8.3631 125.2026 63.6819 34.4936 174.8153 38 A 4.5738 7.0151 119.2440 50.9263 22.2807 174.9219 39 L 5.0561 8.0676 118.8012 54.4394 44.9644 173.8085 40 K 4.6855 8.6805 122.6947 56.2230 36.4649 173.6375 41 F 5.4312 8.7487 123.4583 56.9552 41.3792 174.1326 42 T 4.4028 8.5377 119.1971 60.9287 71.5640 171.7063 43 W 4.7812 8.5432 135.0000 55.3787 31.7151 175.4712 44 A 4.2643 8.6301 131.3795 51.7677 18.8881 177.6992 45 S 4.5137 8.3637 117.6841 57.8664 65.4535 175.7649 46 K 4.0471 8.4822 121.9339 59.5975 31.9013 179.4994 47 E 3.9725 8.0989 118.5786 59.2357 29.3096 179.0270 48 L 3.7812 7.8192 120.3968 57.9648 42.1136 178.8947 49 L 4.0824 7.9147 118.9859 58.0246 41.6950 179.4333 50 E 4.5478 8.7404 118.6971 58.9583 29.3366 179.6875 51 K 4.0966 7.6855 118.2618 59.7730 32.0143 178.7362 52 H 4.1246 8.2176 117.2741 58.9392 29.9954 175.8394 53 Y 4.8268 8.3845 116.3219 57.7621 38.0207 177.4082 54 A 4.0999 7.8552 125.2237 55.6550 18.7024 180.2508 55 D 4.4209 8.2291 113.9139 57.0478 41.1982 177.1908 56 L 4.5851 8.6732 118.3858 54.6119 41.8476 178.3219 57 S 2.7900 7.6599 117.5936 61.3419 62.6190 175.8333 58 A 4.0679 7.5439 119.6324 53.2016 18.8488 177.6990 59 R 3.8253 7.6237 117.0832 54.8668 30.4767 176.2968 60 P 4.2350 0.0000 0.0000 65.1720 31.7185 176.9979 61 F 4.6832 7.1729 112.3112 56.7965 38.8898 177.0458 62 F 3.9898 8.0259 124.9924 61.2273 39.0996 175.1124 63 P 4.2802 0.0000 0.0000 65.6203 31.2368 178.9261 64 G 3.6733 8.0619 103.9810 47.2401 0.0000 175.4688 65 L 3.9055 7.8365 122.7081 58.2055 42.0435 179.1367 66 V 3.5226 7.3941 118.0644 65.9600 31.1195 177.6207 67 N 4.3356 7.8487 115.1801 56.5622 38.6763 176.4265 68 Y 4.2380 8.4811 120.9992 61.0419 38.7860 177.7873 69 M 3.9022 8.2445 117.6822 56.9569 32.0801 177.0034 70 N 4.8432 7.3998 116.3566 53.3143 39.3834 175.0106 71 S 4.5974 7.8263 113.3897 59.2219 63.8362 173.6514 72 G 3.1372 6.4743 108.3331 43.2976 0.0000 170.8574 73 P 4.0204 0.0000 0.0000 62.5103 32.7433 175.5796 74 V 4.4466 8.7009 113.4970 59.7427 36.2860 175.0643 75 V 5.2514 8.7579 122.0124 59.4834 32.4745 172.3842 76 P 4.6907 0.0000 0.0000 62.3173 33.3216 174.9784 77 M 5.2566 8.3969 118.0331 54.5863 35.2863 173.2824 78 V 4.8795 8.2634 118.6924 60.9011 35.0850 174.2052 79 W 5.1645 8.7793 125.8491 54.7862 32.8800 173.9740 80 E 5.1723 10.4569 124.0717 53.6577 32.7269 175.1425 81 G 4.9794 8.6242 115.6916 45.6814 0.0000 171.4847 82 L 4.3677 9.0312 123.5749 56.4298 42.3492 176.2542 83 N 4.4251 9.2148 123.2188 54.5653 37.6336 175.8667 84 V 3.2588 7.6773 119.3430 64.2222 30.8710 178.1729 85 V 3.5282 8.2185 118.8802 65.8448 31.5506 177.9857 86 K 3.9842 7.9478 118.8350 59.9065 32.2162 178.8252 87 T 4.1008 8.0990 116.2829 66.5070 68.4561 177.0815 88 G 3.7358 8.4294 108.2005 47.8125 0.0000 176.0314 89 R 3.9997 7.9217 119.9464 59.1777 29.8677 179.0517 90 Q 4.0186 7.7225 116.5906 59.3037 28.9340 178.5585 91 M 4.1253 8.1321 119.5771 58.4344 31.9622 178.8943 92 L 4.0418 7.9139 119.1146 55.2426 41.7062 178.2848 93 G 4.1005 7.7414 103.7210 44.1123 0.0000 172.5462 94 A 4.1249 8.1562 120.8632 52.4225 18.7696 177.9062 95 T 3.8703 8.6194 117.8566 66.2757 68.9231 174.1326 96 N 4.6311 7.9537 120.7994 51.5173 39.0895 173.2447 97 P 4.8384 0.0000 0.0000 64.7852 31.6653 178.6503 98 A 4.0201 8.0254 120.0156 54.6697 18.2997 177.9074 99 D 4.6725 8.2716 113.9603 54.9906 42.0392 177.1587 100 S 4.3208 7.7416 117.1071 58.4721 63.9737 173.9609 101 L 4.5813 8.4401 123.8927 53.3138 43.3074 174.4969 102 P 4.3022 0.0000 0.0000 64.1432 31.2952 176.0054 103 G 3.9821 9.4310 112.8154 46.0144 0.0000 174.9233 104 T 4.3935 7.5806 110.1899 60.3512 71.6219 176.1155 105 I 3.7078 8.3865 122.4805 64.7698 37.2040 179.2016 106 R 4.1112 8.2290 119.0686 59.1778 29.6661 179.3599 107 G 3.5854 7.8319 104.6575 47.7833 0.0000 175.0088 108 D 4.2903 7.7123 120.0315 55.5716 41.0739 177.2851 109 F 5.0478 7.7849 115.1237 57.3533 40.1797 174.3989 110 C 4.8725 8.0059 114.3232 57.2399 32.8505 173.3258 111 I 4.2795 8.4250 118.1936 62.2071 38.9521 176.0690 112 Q 4.6771 7.5744 119.7980 53.7034 31.4829 176.0784 113 V 3.5421 8.6482 117.4260 64.7852 31.5664 177.8859 114 G 3.6094 7.8375 105.0472 46.9288 0.0000 173.4669 115 R 4.6136 7.8307 118.5290 54.9135 30.7967 174.6062 116 N 4.8333 7.9658 110.7306 52.7218 38.6240 176.5505 117 I 2.8427 8.7505 110.9978 63.7995 38.8888 172.7571 118 I 5.2246 7.5776 118.3896 60.3160 40.1685 173.1962 *120 G 3.7619 8.4176 106.8487 45.3137 0.0000 172.9743 121 S 4.3493 8.4425 119.4182 58.7223 63.3609 175.1602 122 D 4.5974 8.6820 122.4946 54.7571 40.2673 176.3023 123 A 4.6246 7.7578 120.2713 49.6299 23.6710 176.9904 124 V 3.5769 8.3538 120.2008 66.4368 31.0526 178.2230 125 E 4.1466 8.1905 118.0026 59.3160 29.2801 179.1762 126 S 4.2780 8.0749 113.5660 60.8705 63.4422 176.2191 127 A 4.4739 8.3157 126.3325 54.6057 18.1477 179.3779 128 E 3.9644 8.4853 117.2901 59.5494 29.5493 179.8515 129 K 3.9881 7.7688 117.5822 59.4770 32.0779 179.3661 130 E 3.9388 8.4148 119.0205 59.3537 29.2935 179.4041 131 I 3.8200 8.2153 120.0191 64.5747 37.0375 178.4736 132 A 4.0989 7.8003 119.9193 54.6268 18.1683 179.3421 133 L 3.8916 7.6687 118.5658 58.2654 42.3379 178.8744 134 W 4.0673 8.0981 117.2686 57.4155 29.3687 176.5491 135 F 5.1815 7.9410 116.0660 55.5729 41.9927 174.3566 136 N 4.9368 9.8127 120.9284 51.9917 39.6823 176.6447 137 E 4.0681 8.6970 119.8618 59.3333 29.8263 179.8300 138 K 4.0331 8.0613 117.2954 59.0463 32.2117 177.5010 139 E 4.2426 8.1579 116.1429 56.7335 29.8010 175.9527 140 L 4.4230 7.3678 120.0152 53.3865 42.3916 176.3393 141 V 4.2181 8.6306 125.9131 62.0531 32.6129 175.1323 142 T 4.8443 8.4918 118.1756 59.7599 70.3238 173.5405 143 W 5.1007 8.4270 121.6395 55.7423 30.9896 173.4924 144 T 4.2634 8.3899 115.1227 60.8319 70.5857 172.6937 145 P 4.5080 0.0000 0.0000 61.9994 32.0465 177.5051 146 A 4.0468 8.9127 124.9658 54.7647 18.7302 178.0724 147 A 4.8154 7.9861 117.0908 51.8592 19.6106 178.2051 148 K 3.8631 8.0840 121.1694 60.5432 32.0949 178.4685 149 D 4.4973 7.7983 114.8123 55.2371 40.8637 176.7987 150 W 4.7388 8.1976 118.1550 56.9818 29.7984 176.8390 151 I 4.1205 7.5666 118.1776 61.9164 38.0012 175.4847 152 Y 4.8925 8.1250 117.0207 55.9532 41.3083 175.4371 153 E 4.2140 8.8628 119.5949 56.4934 30.0058 175.8406 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 A 8.12 4.24 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 0.00 0.00 0.00 0.00 0.00 3 A 7.91 3.75 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 4 N 8.69 4.51 0.00 2.33 1.98 0.00 0.00 6.81 7.61 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 5 K 7.36 4.64 0.00 1.75 1.78 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.27 7.81 6 E 7.99 4.17 0.00 2.13 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 2.33 2.32 0.00 7 R 8.47 5.26 0.00 1.70 1.80 0.00 3.21 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 8 T 8.68 4.80 4.25 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 1.25 0.00 0.00 9 F 8.79 5.42 0.00 3.21 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.02 4.58 1.67 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 0.98 0.20 0.69 0.00 0.00 11 M 7.87 4.71 0.00 1.65 0.95 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 12 V 8.52 4.30 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 0.87 0.00 0.00 0.92 0.00 0.00 13 K 8.88 4.52 0.00 1.92 1.80 0.00 1.96 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.62 7.81 14 P 0.00 4.37 0.00 1.75 1.74 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 15 D 8.04 4.50 0.00 3.02 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 16 G 8.05 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.65 3.56 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 1.21 0.00 0.00 1.08 0.00 0.00 18 Q 8.08 4.07 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 19 R 7.90 4.40 0.00 1.84 1.92 0.00 3.32 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 20 G 7.94 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.81 4.36 0.00 1.64 1.34 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.90 3.61 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 1.02 0.00 0.00 0.87 0.00 0.00 23 G 7.95 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 24 K 7.94 4.00 0.00 1.73 1.76 0.00 1.42 0.00 0.00 1.32 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.45 7.81 25 I 7.74 3.83 2.03 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 1.61 1.19 1.04 0.00 0.00 26 I 7.94 4.07 2.13 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 1.68 0.99 1.21 0.00 0.00 27 E 8.72 4.03 0.00 2.22 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 0.00 2.33 2.40 0.00 28 R 7.90 4.00 0.00 1.85 1.71 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 29 F 7.72 3.80 0.00 2.02 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 30 E 8.39 4.29 0.00 2.16 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 2.73 2.93 0.00 31 Q 8.08 4.00 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.00 0.00 0.00 0.00 0.00 0.00 2.59 2.28 0.00 32 K 7.36 3.92 0.00 1.71 1.89 0.00 1.43 0.00 0.00 1.54 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.80 7.81 33 G 7.40 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 7.46 4.88 0.00 3.32 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 35 K 9.35 4.78 0.00 1.90 1.86 0.00 1.48 0.00 0.00 0.91 0.00 0.00 2.21 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 0.72 7.81 36 L 8.85 3.19 0.00 0.75 1.39 -0.17 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.36 4.43 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 0.92 0.00 0.00 0.99 0.00 0.00 38 A 7.02 4.57 0.27 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 39 L 8.07 5.06 0.00 1.46 1.41 0.95 0.52 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 40 K 8.68 4.69 0.00 1.96 2.05 0.00 1.37 0.00 0.00 1.72 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.55 1.45 7.81 41 F 8.75 5.43 0.00 2.92 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 42 T 8.54 4.40 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 43 W 8.54 4.78 0.00 3.40 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 44 A 8.63 4.26 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 45 S 8.36 4.51 0.00 4.17 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 46 K 8.48 4.05 0.00 1.83 1.92 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.57 7.81 47 E 8.10 3.97 0.00 2.00 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 2.38 2.42 0.00 48 L 7.82 3.78 0.00 1.48 1.54 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.91 4.08 0.00 1.96 1.93 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.74 4.55 0.00 2.13 2.37 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 2.40 2.68 0.00 51 K 7.69 4.10 0.00 2.05 1.77 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 52 H 8.22 4.12 0.00 3.09 3.45 0.00 5.93 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 53 Y 8.38 4.83 0.00 3.37 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 54 A 7.86 4.10 1.41 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 0.00 0.00 55 D 8.23 4.42 0.00 2.76 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 56 L 8.67 4.59 0.00 2.08 1.78 1.25 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.66 2.79 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.54 4.07 1.18 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 0.00 0.00 0.00 0.00 0.00 59 R 7.62 3.83 0.00 1.38 0.66 0.00 3.16 0.00 0.00 3.02 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.27 0.00 60 P 0.00 4.23 0.00 2.22 2.19 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 61 F 7.17 4.68 0.00 3.28 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 62 F 8.03 3.99 0.00 3.18 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 63 P 0.00 4.28 0.00 2.24 2.14 0.00 3.80 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 64 G 8.06 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.84 3.91 0.00 1.97 1.67 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.39 3.52 1.78 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 0.94 0.00 0.00 0.28 0.00 0.00 67 N 7.85 4.34 0.00 2.96 2.94 0.00 0.00 7.01 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 68 Y 8.48 4.24 0.00 3.08 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 69 M 8.24 3.90 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.97 0.00 70 N 7.40 4.84 0.00 2.76 3.08 0.00 0.00 7.13 7.75 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 71 S 7.83 4.60 0.00 4.01 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 0.00 72 G 6.47 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 0.00 0.00 0.00 73 P 0.00 4.02 0.00 1.29 1.67 0.00 3.14 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 74 V 8.70 4.45 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.99 0.00 0.00 75 V 8.76 5.25 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 1.41 0.00 0.00 1.11 0.00 0.00 76 P 0.00 4.69 0.00 2.18 1.68 0.00 4.07 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 2.07 1.99 0.00 77 M 8.40 5.26 0.00 2.02 1.95 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 2.53 2.50 0.00 78 V 8.26 4.88 1.83 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 1.04 0.00 0.00 0.96 0.00 0.00 79 W 8.78 5.16 0.00 3.14 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 80 E 10.46 5.17 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 81 G 8.62 4.98 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 0.00 0.00 0.00 82 L 9.03 4.37 0.00 1.62 2.06 0.97 1.16 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 83 N 9.21 4.43 0.00 3.11 2.94 0.00 0.00 6.91 7.71 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 84 V 7.68 3.26 1.83 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 0.92 0.00 0.00 0.13 0.00 0.00 85 V 8.22 3.53 2.19 0.00 0.00 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 1.00 0.00 0.00 86 K 7.95 3.98 0.00 1.89 1.82 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.56 7.81 87 T 8.10 4.10 4.46 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 1.45 0.00 0.00 88 G 8.43 3.74 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 0.00 89 R 7.92 4.00 0.00 2.08 2.02 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 90 Q 7.72 4.02 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 91 M 8.13 4.13 0.00 1.76 2.08 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 92 L 7.91 4.04 0.00 2.00 1.75 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.74 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 94 A 8.16 4.12 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 95 T 8.62 3.87 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 1.23 0.00 0.00 96 N 7.95 4.63 0.00 2.69 2.83 0.00 0.00 7.18 7.71 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 97 P 0.00 4.84 0.00 2.34 2.22 0.00 3.95 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 98 A 8.03 4.02 1.36 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 0.00 0.00 99 D 8.27 4.67 0.00 2.71 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 0.00 100 S 7.74 4.32 0.00 3.91 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 0.00 101 L 8.44 4.58 0.00 1.57 1.54 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.30 0.00 1.88 1.91 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 103 G 9.43 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 0.00 0.00 0.00 104 T 7.58 4.39 4.43 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 1.23 0.00 0.00 105 I 8.39 3.71 1.94 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 1.63 0.97 1.13 0.00 0.00 106 R 8.23 4.11 0.00 1.97 1.99 0.00 3.31 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 107 G 7.83 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 0.00 108 D 7.71 4.29 0.00 1.82 1.65 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 0.00 109 F 7.78 5.05 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.01 4.87 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 0.00 111 I 8.42 4.28 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.90 0.00 0.00 112 Q 7.57 4.68 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 113 V 8.65 3.54 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 0.73 0.00 0.00 0.84 0.00 0.00 114 G 7.84 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 0.00 115 R 7.83 4.61 0.00 1.68 1.80 0.00 3.29 0.00 0.00 2.82 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.60 0.00 116 N 7.97 4.83 0.00 2.88 3.09 0.00 0.00 6.08 7.68 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 0.00 117 I 8.75 2.84 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 1.04 0.00 0.00 118 I 7.58 5.22 1.91 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 1.17 1.98 1.01 0.00 0.00 *120 G 8.42 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 0.00 0.00 0.00 121 S 8.44 4.35 0.00 4.03 3.89 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 0.00 122 D 8.68 4.60 0.00 2.80 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 0.00 123 A 7.76 4.62 1.32 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 0.00 0.00 0.00 124 V 8.35 3.58 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 1.16 0.00 0.00 0.95 0.00 0.00 125 E 8.19 4.15 0.00 2.11 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 2.41 2.44 0.00 126 S 8.07 4.28 0.00 4.08 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.32 4.47 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 0.00 128 E 8.49 3.96 0.00 2.28 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 2.35 2.38 0.00 129 K 7.77 3.99 0.00 1.97 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.79 7.81 130 E 8.41 3.94 0.00 2.05 1.49 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 0.00 2.35 2.43 0.00 131 I 8.22 3.82 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.00 1.04 0.00 0.00 132 A 7.80 4.10 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 0.00 133 L 7.67 3.89 0.00 1.89 1.60 0.62 0.72 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 0.00 134 W 8.10 4.07 0.00 2.86 2.83 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 0.00 135 F 7.94 5.18 0.00 3.21 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 0.00 136 N 9.81 4.94 0.00 3.01 2.77 0.00 0.00 7.20 7.86 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 0.00 137 E 8.70 4.07 0.00 2.10 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 2.42 2.43 0.00 138 K 8.06 4.03 0.00 1.78 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 139 E 8.16 4.24 0.00 2.30 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 0.00 2.43 2.38 0.00 140 L 7.37 4.42 0.00 1.50 1.55 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.63 4.22 2.09 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 0.79 0.00 0.00 0.87 0.00 0.00 142 T 8.49 4.84 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 1.22 0.00 0.00 143 W 8.43 5.10 0.00 3.57 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 0.00 144 T 8.39 4.26 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 1.16 0.00 0.00 145 P 0.00 4.51 0.00 2.10 1.89 0.00 3.36 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.94 0.00 146 A 8.91 4.05 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 0.00 147 A 7.99 4.82 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 0.00 148 K 8.08 3.86 0.00 1.91 1.89 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.53 7.81 149 D 7.80 4.50 0.00 2.17 2.24 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 0.00 150 W 8.20 4.74 0.00 3.39 3.18 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 0.00 0.00 0.00 151 I 7.57 4.12 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.04 0.00 0.00 152 Y 8.13 4.89 0.00 2.92 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 0.00 153 E 8.86 4.21 0.00 2.04 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 2.24 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.