NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 N 4.6879 8.4249 119.2181 53.4632 39.8657 174.3967 35 S 4.1922 9.0360 113.4381 58.0556 64.1370 173.1834 36 F 4.7035 8.6069 120.5265 55.6311 42.5123 174.4458 37 L 4.6276 8.4769 125.4497 53.6552 43.2739 175.3177 38 Q 4.5617 7.9785 117.3565 54.7686 32.9577 175.0106 39 D 4.2817 8.4354 117.0244 55.6563 38.1900 174.7249 40 V 3.7650 7.0700 110.3557 58.2663 33.5652 175.0814 41 P 4.2248 0.0000 0.0000 62.5747 31.7144 175.6473 42 Y 4.0716 8.6974 121.6206 60.6104 39.0271 178.6372 43 W 4.3752 7.9425 117.1588 55.8594 27.0054 175.5874 *45 L 3.7772 7.4950 116.3060 54.9086 42.5546 177.1634 46 Q 3.8156 8.3747 122.7182 56.2342 29.2159 175.1476 47 N 4.8159 8.3814 123.4559 51.5354 40.5089 173.9935 48 R 4.0287 8.7441 126.0681 58.2845 30.4016 177.4247 49 S 4.5735 8.1348 113.3588 55.9402 62.1064 172.6084 50 E 4.6441 7.8125 127.5415 54.4391 33.2762 174.8172 51 Y 4.2631 8.2481 120.4335 58.2445 38.4009 177.9547 52 I 3.8327 8.4263 125.1119 64.1935 37.5843 176.9965 53 T 4.1117 7.8265 109.0325 61.8657 69.0709 173.6016 54 Q 4.9344 7.8724 119.5471 54.9236 31.9572 174.5810 55 G 4.3518 8.6726 106.8820 45.1501 0.0000 171.4633 56 V 5.4735 8.1816 119.3332 60.3231 34.6346 173.8088 57 D 4.9872 8.5821 124.8869 53.8325 45.1699 172.8705 58 S 5.0213 8.3308 114.6548 57.3737 66.4793 172.6912 59 S 4.6427 8.6219 112.2359 57.6979 65.9086 172.8708 60 H 4.8480 8.7355 122.7466 54.8082 30.1557 175.5757 61 I 4.1191 7.8662 124.4514 60.0830 36.5139 176.2801 62 V 3.9893 7.9904 120.9570 60.3883 34.1701 177.1189 63 D 4.5497 9.0016 123.1542 55.1564 39.6955 177.9471 64 G 4.0897 9.0879 103.0440 44.8464 0.0000 171.6026 65 K 4.4499 7.6237 119.9626 54.0250 36.6551 176.7127 66 K 4.1419 8.5528 123.9389 57.3331 34.5425 178.3729 67 T 3.9045 8.4530 118.1190 66.3666 68.3716 176.6237 68 E 3.8793 8.1372 121.1385 59.3008 29.6745 178.1359 69 E 3.9100 8.1822 118.6393 59.4510 29.6203 178.6214 70 I 3.6759 7.4914 119.5716 64.6433 37.1799 178.3635 71 E 3.9908 8.2472 119.2529 59.0608 29.2178 179.4710 72 K 3.9306 8.1576 118.8006 59.6499 32.1813 179.1383 73 I 3.6517 7.9669 119.6377 64.3190 36.9923 178.0168 74 A 4.0053 8.1623 121.4530 55.9577 18.3402 179.7902 75 T 3.8343 8.3523 114.2896 66.5952 68.4692 176.8641 76 K 4.0766 8.1075 121.5442 59.6483 32.2731 179.1088 77 R 3.9400 8.5556 118.5681 59.2481 29.8132 178.8887 78 A 4.0648 8.4256 120.8531 55.6138 18.4267 179.8936 79 T 3.9864 7.9518 113.8769 66.6752 68.4162 177.1412 80 I 3.9983 7.9898 122.1133 64.3741 37.2372 178.5618 81 R 4.4881 8.2011 120.3758 58.4927 29.7736 179.4114 82 V 3.5731 7.6421 118.1535 65.8112 31.5856 177.7141 83 A 4.0514 7.9064 120.0969 55.6216 18.1232 179.6324 84 Q 3.9394 8.5253 116.7134 59.1929 28.7173 178.9312 85 N 4.3875 8.0505 117.3069 56.1948 38.4889 177.5880 86 I 3.6269 7.7431 121.2470 64.3211 37.2465 178.3695 87 V 3.6192 7.8386 119.0790 66.5143 31.2782 177.6431 88 H 4.1389 8.1657 115.5763 58.9126 28.6047 177.5802 89 K 3.8855 7.9978 121.2265 59.6243 31.8385 178.7734 90 L 4.0588 8.0609 119.3182 57.4453 41.5015 179.4966 91 K 3.0419 7.6921 118.4454 59.3835 32.0001 179.0021 92 E 3.9680 7.9886 118.3924 59.4994 29.1164 179.5191 93 A 4.0134 7.6686 119.7542 55.3934 18.5755 178.8118 94 Y 4.5829 8.0489 118.5617 60.2808 38.9792 177.7203 95 L 4.0113 8.2570 119.3121 55.8971 42.4289 177.5701 96 S 4.1928 7.3679 113.8125 57.9931 62.8447 175.0468 97 K 3.9642 8.5661 126.5897 59.2960 32.0831 177.5729 98 T 4.2876 7.5113 106.4296 61.3303 68.9618 174.4355 99 N 4.3834 8.0426 122.7976 54.3767 39.2612 175.2008 100 R 4.4925 8.3952 122.5629 56.1278 31.8779 176.2233 101 I 4.0205 7.9899 119.0983 61.5859 37.0844 175.9815 102 K 4.2153 8.8074 126.1526 58.2741 32.4108 177.9135 103 Q 4.0324 7.9278 120.0878 55.5074 29.5727 174.8666 104 K 4.3960 8.5896 125.8629 56.1945 32.2492 175.9431 105 I 4.0863 9.0181 128.8913 59.5257 38.3739 176.1489 106 T 4.4514 7.9631 115.6455 60.2298 70.5097 174.3872 107 N 4.7403 8.7245 120.0650 56.9309 39.3300 177.3366 108 E 4.0624 7.7155 116.0637 56.8105 28.7714 178.7369 *110 F 4.6863 8.0986 119.6830 57.7295 40.9933 176.7983 111 I 3.9438 7.9049 120.5232 64.5158 37.3644 179.0527 112 Q 4.1820 8.0190 121.8635 55.7196 28.0251 178.9360 *114 T 4.3636 8.0764 115.6696 63.8555 70.7827 176.3278 115 Q 4.0115 7.6538 120.9284 58.8383 28.8483 176.6624 116 P 4.5005 0.0000 0.0000 65.8442 31.6066 178.1416 117 I 3.9199 7.7584 119.2854 64.3787 37.1563 177.3557 118 Y 4.0821 8.6702 120.7073 61.0166 38.4327 178.0593 119 D 4.4345 8.7883 118.9039 56.8156 41.1189 178.0701 120 S 4.4804 7.8608 112.9326 58.3177 63.4432 174.2118 121 L 4.3332 6.8936 122.3057 55.0758 42.6468 176.2960 *123 N 4.6485 8.2707 114.7673 53.1442 39.1130 176.0008 124 V 4.2839 7.6733 118.4300 61.0122 32.9171 176.4459 125 D 4.7256 8.8116 126.5774 52.9388 42.7321 176.1137 126 R 4.3867 8.4996 123.8545 55.9283 29.7934 175.8074 127 L 4.2295 8.8630 127.8739 56.2100 42.8471 176.7677 128 G 3.9934 7.3927 104.3236 46.1113 0.0000 172.1980 129 I 5.4705 8.5264 119.1876 60.3241 41.6261 174.3788 130 Y 4.9223 9.3895 126.6986 56.3964 42.1387 173.5547 131 I 4.3499 8.1820 127.7992 59.6646 39.0081 175.5120 132 N 4.1854 9.6859 126.8982 52.0136 37.7389 173.2914 133 P 4.1648 0.0000 0.0000 65.4490 31.1454 177.2890 134 N 4.2601 7.8376 115.7461 55.5749 38.9500 174.4827 135 N 4.7957 9.2021 112.7313 52.1442 37.9425 175.0595 136 E 4.3649 7.7819 115.6946 57.6982 27.4360 173.4865 137 E 4.4380 7.5188 118.8543 54.9543 31.3466 174.8694 138 V 4.3752 8.4052 126.7995 59.9725 34.0410 174.6869 139 F 5.4998 9.4911 122.9514 55.8317 42.1495 174.4895 140 A 5.3017 9.6848 122.9411 50.0943 22.8610 174.8241 141 L 4.7698 8.2425 121.8702 53.3552 44.5239 175.8654 142 V 5.3933 8.2569 118.2622 58.8343 36.3886 174.9574 143 R 4.8013 8.0595 120.9301 55.3046 33.1722 173.4219 144 A 4.5375 8.8762 129.8040 52.0209 18.6888 177.2688 145 R 4.2665 8.8123 122.1478 58.2323 31.3469 176.5643 146 G 4.0185 7.7154 104.8394 44.9683 0.0000 170.9701 147 F 4.6789 7.6245 111.6643 54.5755 40.2415 174.2743 148 D 4.2125 9.3210 123.9898 52.9746 40.9256 176.8604 149 K 3.6153 7.8386 127.9736 59.9457 32.0928 177.7500 150 D 4.3141 8.0392 117.8818 57.3637 40.8514 178.6044 151 A 3.9802 8.1209 121.0262 55.0502 18.3857 179.5062 152 L 3.9708 8.1833 119.0758 58.3821 42.1729 179.3548 153 S 4.1713 8.4109 115.4425 61.6291 62.7305 176.2256 154 E 4.0791 8.4670 122.1783 59.3468 29.1264 179.1521 155 G 3.6489 7.8770 104.5518 47.7488 0.0000 175.4339 156 L 4.1487 8.1133 121.3468 57.9387 41.4538 179.3052 157 H 4.3063 8.4510 115.3652 58.0840 28.8551 177.4358 158 K 4.2981 7.5185 120.8974 56.1879 32.3037 177.2864 *160 S 4.2899 8.0085 110.7574 58.3137 64.4459 174.1539 161 L 4.6259 7.1175 118.2591 52.6556 42.8006 177.5886 162 D 4.5406 8.7029 122.6161 54.8154 42.8115 177.9012 163 N 4.3301 8.6492 118.5835 56.3807 38.5042 177.5984 164 Q 3.9429 8.0546 120.3754 59.0728 29.1824 178.0149 165 A 3.9635 7.9067 121.2112 55.1288 18.4745 179.3458 166 V 3.4987 7.8926 116.9981 66.2481 31.5250 177.8857 167 S 4.1089 8.1117 112.5639 61.6926 62.1347 176.3214 168 I 3.7413 8.0080 122.3398 64.3091 36.8380 178.2974 169 L 4.0155 8.6705 120.4569 58.0350 41.4541 179.8482 170 V 3.6558 8.2848 118.1508 65.9224 31.4304 177.8684 171 A 4.0651 8.0455 120.5751 55.0247 18.1961 179.7312 172 K 3.8881 8.3766 117.1858 59.6229 32.3404 179.4728 173 V 3.5084 7.8636 118.4528 66.2688 31.1441 177.3973 174 E 4.2844 8.1713 117.4261 59.7200 29.5760 178.2369 175 E 4.1579 8.2872 119.2145 59.0561 29.5490 178.5515 176 I 3.6744 7.8641 120.0826 64.6206 37.3896 177.8976 177 F 4.0829 8.3643 116.0740 58.6487 38.7380 177.5237 178 K 4.2133 8.3578 119.6570 58.6935 32.2473 178.9189 179 D 5.0038 7.4281 116.6266 54.5829 40.6282 177.3803 180 S 4.6911 8.6641 114.8071 60.1068 68.0590 174.8729 181 V 3.7611 7.5836 122.5084 62.1108 30.8575 175.6735 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 34 N 8.42 4.69 0.00 2.73 2.74 0.00 0.00 7.01 6.75 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 35 S 9.04 4.19 0.00 3.62 3.37 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 36 F 8.61 4.70 0.00 2.99 2.92 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 37 L 8.48 4.63 0.00 1.65 1.72 1.06 0.96 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 38 Q 7.98 4.56 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 39 D 8.44 4.28 0.00 2.81 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 40 V 7.07 3.77 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.74 0.00 0.00 41 P 0.00 4.22 0.00 1.46 1.92 0.00 2.82 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.39 0.00 42 Y 8.70 4.07 0.00 2.92 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 43 W 7.94 4.38 0.00 3.53 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 *45 L 7.50 3.78 0.00 1.29 1.37 0.70 0.83 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 46 Q 8.37 3.82 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 47 N 8.38 4.82 0.00 2.54 2.63 0.00 0.00 7.25 7.65 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 48 R 8.74 4.03 0.00 1.80 1.96 0.00 3.24 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 49 S 8.13 4.57 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.81 4.64 0.00 1.88 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 2.23 2.35 0.00 51 Y 8.25 4.26 0.00 3.06 2.74 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 52 I 8.43 3.83 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.83 0.00 0.00 53 T 7.83 4.11 4.16 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 0.39 0.00 0.00 54 Q 7.87 4.93 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 55 G 8.67 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.18 5.47 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 1.50 0.00 0.00 1.15 0.00 0.00 57 D 8.58 4.99 0.00 2.85 2.59 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 58 S 8.33 5.02 0.00 3.20 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 59 S 8.62 4.64 0.00 3.91 3.71 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 60 H 8.74 4.85 0.00 2.96 3.18 0.00 5.94 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.87 4.12 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.89 0.00 0.00 62 V 7.99 3.99 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 0.65 0.00 0.00 0.92 0.00 0.00 63 D 9.00 4.55 0.00 2.63 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 0.00 0.00 0.00 0.00 64 G 9.09 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 0.00 0.00 0.00 65 K 7.62 4.45 0.00 1.82 1.68 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.30 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.40 7.81 66 K 8.55 4.14 0.00 1.98 1.94 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.60 7.81 67 T 8.45 3.90 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 68 E 8.14 3.88 0.00 2.03 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 2.39 2.38 0.00 69 E 8.18 3.91 0.00 2.07 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 2.38 2.41 0.00 70 I 7.49 3.68 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.66 0.88 0.00 0.00 71 E 8.25 3.99 0.00 2.16 2.02 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 2.35 2.61 0.00 72 K 8.16 3.93 0.00 1.95 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.65 7.81 73 I 7.97 3.65 2.00 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 1.67 0.78 0.90 0.00 0.00 74 A 8.16 4.01 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 75 T 8.35 3.83 4.48 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 1.24 0.00 0.00 76 K 8.11 4.08 0.00 1.99 1.99 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.65 7.81 77 R 8.56 3.94 0.00 2.03 2.31 0.00 3.39 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 78 A 8.43 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.95 3.99 4.71 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 1.19 0.00 0.00 80 I 7.99 4.00 2.05 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 1.03 0.58 0.87 0.00 0.00 81 R 8.20 4.49 0.00 2.22 2.03 0.00 3.32 0.00 0.00 3.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 82 V 7.64 3.57 2.33 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 1.08 0.00 0.00 1.04 0.00 0.00 83 A 7.91 4.05 1.51 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 84 Q 8.53 3.94 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 85 N 8.05 4.39 0.00 3.01 2.86 0.00 0.00 6.99 7.00 0.00 0.00 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 I 7.74 3.63 2.05 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 1.32 0.66 0.91 0.00 0.00 87 V 7.84 3.62 2.20 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 1.14 0.00 0.00 1.08 0.00 0.00 88 H 8.17 4.14 0.00 3.44 3.27 0.00 5.70 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 89 K 8.00 3.89 0.00 1.87 1.99 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.53 7.81 90 L 8.06 4.06 0.00 1.96 1.85 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.69 3.04 0.00 1.68 1.49 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.03 7.81 92 E 7.99 3.97 0.00 2.17 1.99 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 2.28 2.45 0.00 93 A 7.67 4.01 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 94 Y 8.05 4.58 0.00 3.16 3.35 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 95 L 8.26 4.01 0.00 1.75 1.68 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.37 4.19 0.00 3.99 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 97 K 8.57 3.96 0.00 1.73 1.81 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 98 T 7.51 4.29 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 1.21 0.00 0.00 99 N 8.04 4.38 0.00 3.06 2.73 0.00 0.00 7.02 7.15 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 0.00 100 R 8.40 4.49 0.00 1.85 1.95 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 101 I 7.99 4.02 2.32 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 1.10 0.00 0.00 102 K 8.81 4.22 0.00 1.80 1.89 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.53 7.81 103 Q 7.93 4.03 0.00 2.35 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 104 K 8.59 4.40 0.00 1.81 1.75 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.55 7.81 105 I 9.02 4.09 0.65 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.23 -0.47 0.00 0.00 106 T 7.96 4.45 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 1.21 0.00 0.00 107 N 8.72 4.74 0.00 2.93 2.93 0.00 0.00 6.88 7.65 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 0.00 108 E 7.72 4.06 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 2.34 2.35 0.00 *110 F 8.10 4.69 0.00 3.27 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 0.00 111 I 7.90 3.94 2.08 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 1.33 0.77 0.92 0.00 0.00 112 Q 8.02 4.18 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 *114 T 8.08 4.36 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 1.23 0.00 0.00 115 Q 7.65 4.01 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 116 P 0.00 4.50 0.00 2.30 2.21 0.00 4.02 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 117 I 7.76 3.92 2.11 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 1.56 0.94 0.98 0.00 0.00 118 Y 8.67 4.08 0.00 3.14 3.22 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 0.00 119 D 8.79 4.43 0.00 2.86 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 0.00 120 S 7.86 4.48 0.00 4.37 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 6.89 4.33 0.00 1.54 1.64 0.91 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 *123 N 8.27 4.65 0.00 2.75 2.84 0.00 0.00 6.52 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 0.00 124 V 7.67 4.28 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 0.68 0.00 0.00 0.90 0.00 0.00 125 D 8.81 4.73 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.50 4.39 0.00 1.81 1.84 0.00 3.23 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 127 L 8.86 4.23 0.00 1.26 1.54 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.39 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.53 5.47 2.01 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 1.31 0.52 1.09 0.00 0.00 130 Y 9.39 4.92 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.18 4.35 1.76 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 1.19 0.53 0.79 0.00 0.00 132 N 9.69 4.19 0.00 2.78 2.87 0.00 0.00 6.75 7.59 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 0.00 133 P 0.00 4.16 0.00 2.08 2.11 0.00 3.76 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 2.06 2.13 0.00 134 N 7.84 4.26 0.00 2.70 2.98 0.00 0.00 6.89 7.79 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 0.00 135 N 9.20 4.80 0.00 2.86 2.98 0.00 0.00 7.32 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 0.00 136 E 7.78 4.36 0.00 2.11 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 2.21 2.33 0.00 137 E 7.52 4.44 0.00 1.73 1.61 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 1.47 1.77 0.00 138 V 8.41 4.38 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 0.72 0.00 0.00 0.94 0.00 0.00 139 F 9.49 5.50 0.00 3.34 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 9.68 5.30 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 0.00 141 L 8.24 4.77 0.00 0.31 0.28 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.26 5.39 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 0.73 0.00 0.00 1.00 0.00 0.00 143 R 8.06 4.80 0.00 1.78 1.67 0.00 3.23 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 144 A 8.88 4.54 1.40 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 0.00 0.00 145 R 8.81 4.27 0.00 1.77 2.02 0.00 3.28 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 146 G 7.72 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 F 7.62 4.68 0.00 3.02 2.26 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 0.00 148 D 9.32 4.21 0.00 2.54 2.55 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 0.00 0.00 0.00 0.00 149 K 7.84 3.62 0.00 1.39 1.57 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.54 7.81 150 D 8.04 4.31 0.00 2.67 2.68 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 0.00 0.00 0.00 151 A 8.12 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.18 3.97 0.00 1.97 2.04 0.99 1.42 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 0.00 153 S 8.41 4.17 0.00 4.05 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 0.00 154 E 8.47 4.08 0.00 2.20 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 2.33 0.00 155 G 7.88 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 0.00 156 L 8.11 4.15 0.00 1.83 1.67 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 157 H 8.45 4.31 0.00 3.22 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.52 4.30 0.00 1.94 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.72 7.81 *160 S 8.01 4.29 0.00 3.85 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 0.00 161 L 7.12 4.63 0.00 1.75 1.49 0.86 0.80 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 0.00 162 D 8.70 4.54 0.00 2.67 2.62 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 0.00 163 N 8.65 4.33 0.00 2.83 2.91 0.00 0.00 6.50 7.81 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 0.00 164 Q 8.05 3.94 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 165 A 7.91 3.96 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 0.00 166 V 7.89 3.50 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 1.01 0.00 0.00 0.76 0.00 0.00 167 S 8.11 4.11 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 8.01 3.74 1.93 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 1.56 0.70 0.98 0.00 0.00 169 L 8.67 4.02 0.00 1.86 1.76 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.28 3.66 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.06 0.00 0.00 171 A 8.05 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 8.38 3.89 0.00 2.02 1.90 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.66 7.81 173 V 7.86 3.51 1.85 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 0.15 0.00 0.00 0.87 0.00 0.00 174 E 8.17 4.28 0.00 2.46 2.39 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 2.47 2.57 0.00 175 E 8.29 4.16 0.00 2.26 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 0.00 2.51 2.39 0.00 176 I 7.86 3.67 1.99 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 1.80 0.90 0.61 0.00 0.00 177 F 8.36 4.08 0.00 3.22 3.22 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 0.00 178 K 8.36 4.21 0.00 2.03 1.89 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.81 1.69 7.81 179 D 7.43 5.00 0.00 2.78 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 0.00 180 S 8.66 4.69 0.00 3.63 3.60 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 0.00 181 V 7.58 3.76 2.28 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 0.74 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.