NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 G 3.8357 8.3549 109.7416 45.5875 0.0000 173.0576 *23 H 4.5897 8.4145 122.4543 55.1651 30.0710 172.7972 24 A 4.7937 8.3488 122.4668 50.0612 22.5761 175.0035 25 L 4.8724 8.1061 118.3785 53.0475 45.0021 175.0530 26 Y 4.9155 8.2046 123.1137 55.8175 41.5202 174.2767 27 I 5.2458 8.3104 127.5905 59.6742 40.9008 174.9446 28 T 4.9270 9.4062 117.9494 60.7002 70.8724 174.0754 29 H 4.5394 8.7969 119.9004 55.6868 29.6019 173.9361 30 P 5.0649 0.0000 0.0000 61.6188 33.5108 175.3316 31 Q 4.2078 8.6227 116.0264 56.8744 29.8439 175.6573 32 V 4.7347 8.2961 122.0263 61.1176 33.9210 174.8292 33 K 4.3133 8.8573 129.5973 55.0033 32.4345 176.6386 34 I 2.0000 7.7957 121.1142 60.0404 38.5242 174.6173 35 D 4.4623 6.1276 119.1756 52.1266 43.8502 173.6479 36 P 4.4749 0.0000 0.0000 64.5407 31.8752 176.7286 37 A 4.5543 8.7293 120.6852 53.1787 21.0011 177.1331 38 V 3.7597 8.2709 114.9714 62.1772 32.3176 173.7795 39 P 4.1648 0.0000 0.0000 62.9946 32.1606 177.0701 40 V 2.0000 8.2237 122.0083 64.9989 30.0938 176.4137 41 P 4.1678 0.0000 0.0000 64.7875 31.2493 177.2406 42 E 4.2431 7.5566 115.3852 55.3355 29.8170 176.4821 43 W 4.4974 7.8460 120.1500 57.2383 29.8742 176.6407 44 G 4.2819 8.4628 111.2077 45.2606 0.0000 172.4537 45 L 4.9948 8.6795 120.7563 53.9798 42.9898 177.5771 46 S 4.3746 8.7943 117.3758 57.4406 64.3612 174.8390 47 E 3.8672 8.9006 120.4483 59.6281 29.0430 178.7472 48 R 3.9610 7.9818 117.9640 59.3027 30.2901 178.3495 49 G 3.6552 8.1508 105.2750 47.8713 0.0000 175.3392 50 A 4.0057 8.4316 124.1246 54.6649 18.3244 179.0155 51 E 3.8646 8.2942 117.8439 59.8446 29.5817 179.4910 52 R 3.9584 8.1184 117.5509 59.0620 30.1287 178.9578 53 A 4.0274 8.0952 120.6267 55.2645 18.2079 179.8344 54 R 3.8680 8.0202 115.5631 59.4114 30.3056 178.7359 55 E 4.0873 8.5656 118.4365 59.5420 29.5098 179.3347 56 A 4.0397 8.2784 120.9962 55.1512 18.2276 179.7851 57 S 3.8844 7.8160 111.6742 60.9047 63.0340 175.9742 58 R 4.1961 7.2300 119.4551 55.3684 30.7229 176.4925 59 L 4.1859 6.9344 120.2085 53.3359 43.0010 175.9391 60 P 4.1605 0.0000 0.0000 65.7006 31.0272 178.9310 61 W 4.3348 8.0723 113.2532 59.7223 28.2919 177.7024 62 A 3.9193 6.6129 120.9184 54.5717 17.6246 179.5743 63 K 3.8643 7.8993 116.0962 59.2020 32.1356 178.8099 64 A 4.2082 7.6953 119.0932 52.6759 19.0065 177.8649 65 L 4.2582 7.1562 117.4348 55.2252 42.4002 177.1118 66 R 4.6303 9.0320 120.3916 56.1447 33.4654 175.6895 67 R 5.0884 7.8028 118.5875 54.5167 33.9205 173.5851 68 I 4.8482 9.0343 126.6615 59.3983 40.6703 174.4439 69 V 4.6069 8.7008 127.4177 61.2347 33.4981 174.1619 70 S 5.3746 8.9791 123.5268 56.0726 65.3550 173.5654 71 S 5.0933 8.6289 119.6470 57.8149 63.5997 174.0000 72 A 4.3352 8.5827 121.3251 52.7376 18.8720 178.1915 73 E 4.2345 7.8108 116.4795 55.8951 31.2850 177.5963 74 T 3.9009 7.9147 120.8052 66.9587 68.6769 177.0007 75 K 3.9892 8.1196 119.6360 59.8494 32.3897 178.9394 76 A 3.9714 7.7700 121.4402 55.0003 18.4442 179.4622 77 I 3.5647 7.9071 118.4365 64.5222 36.9224 178.5045 78 E 4.0102 8.3224 118.7969 59.6408 29.3433 179.2591 79 T 4.0129 7.5669 114.0604 66.5278 68.8933 176.0551 80 A 4.1990 8.1071 122.7187 55.5531 16.9728 180.3349 81 H 4.3632 8.1313 111.4873 56.9063 28.4448 177.4128 *83 L 4.3167 7.9243 122.2975 54.4768 43.5039 177.5024 84 A 4.4901 7.5879 119.3214 51.8891 19.1476 178.6089 85 E 4.0060 7.5385 117.5332 59.6928 29.8432 178.7188 86 T 4.2126 7.8339 114.0745 65.8115 69.2686 176.2991 87 S 4.0738 8.0843 114.3423 59.6082 63.0835 174.9701 88 G 3.8449 8.5018 107.1820 45.7802 0.0000 173.2049 89 A 4.1514 7.8556 120.2662 51.9812 19.1690 178.4830 90 A 4.1667 8.8071 122.6151 52.0411 19.8108 176.5771 91 I 4.8940 8.3037 122.0100 59.4270 39.6630 174.6259 92 E 4.6961 9.1095 127.8715 54.3823 32.4053 174.3175 93 I 4.8864 8.3849 127.0199 59.8140 39.2806 175.1337 94 I 4.3787 8.8392 127.6615 59.3466 39.3284 175.6762 95 E 3.8163 9.2999 128.9173 59.3438 30.0486 178.2066 96 A 4.2991 7.7102 121.2404 52.0702 16.4486 175.9704 *98 H 4.5958 7.5306 116.7791 54.3639 30.2666 173.7840 99 E 4.0370 8.6408 121.4113 55.9745 30.0045 176.2008 100 N 4.0833 8.4099 119.3417 53.1869 38.8291 174.1324 101 D 4.4685 9.2084 124.1422 54.0207 41.4863 176.9696 102 R 4.1892 7.8571 124.4966 55.3083 29.3847 177.1740 103 S 3.9240 8.2432 115.4332 61.7777 63.6467 175.8762 104 A 4.0859 8.0704 123.0477 54.9183 18.3194 178.2585 105 T 4.0629 7.7718 109.7750 62.8065 68.1068 176.1084 106 G 3.9161 7.6345 108.9659 44.8333 0.0000 172.3221 107 F 4.3072 8.8535 122.1633 58.0392 40.0440 175.6135 108 L 4.5334 7.3977 126.9240 51.3129 44.6025 175.3458 109 P 4.2721 0.0000 0.0000 61.9631 33.2433 175.2872 110 P 4.3204 0.0000 0.0000 65.7387 31.0618 177.1591 111 P 4.3053 0.0000 0.0000 65.6571 31.2075 178.5803 112 E 3.9890 8.1482 117.0026 59.1028 29.4464 178.7331 113 F 4.0909 8.5793 121.1821 61.4866 39.3509 176.9184 114 E 3.8772 8.6344 118.3191 59.5654 29.2073 179.6897 115 K 3.9445 7.8037 118.0084 59.2103 32.0499 179.3107 116 A 2.9597 7.9863 121.1566 54.5797 18.1320 179.5097 117 A 3.9527 8.0860 119.5228 55.4250 18.4062 179.2961 118 D 4.4573 8.2698 117.6840 57.5347 40.8892 179.1481 119 W 4.0117 8.4819 128.8029 60.3396 30.4747 177.3832 120 F 4.3864 8.6031 119.8763 61.9095 38.8521 176.9880 121 F 4.0772 8.2588 115.3193 60.2981 38.8106 177.4408 122 A 4.0507 8.0692 119.7266 53.7209 19.7446 177.3640 123 H 4.5370 7.6340 114.1816 53.3404 28.8484 172.7222 124 P 3.9906 0.0000 0.0000 65.0773 31.8665 178.4920 125 E 4.5101 7.9212 116.3440 56.0909 29.6965 175.3820 126 E 4.8152 7.8336 118.1916 54.4127 32.8760 175.1427 127 S 4.7145 8.6414 116.1101 56.8818 63.5229 173.4590 128 F 3.6187 9.1901 130.4432 58.1050 38.8682 174.7711 129 Q 2.9985 8.7345 127.3339 56.6759 26.0088 175.1106 130 G 4.0058 7.7064 103.3042 44.9190 0.0000 174.7786 131 W 4.7443 8.3680 119.5839 56.3984 29.8955 175.7620 132 E 4.1808 9.2000 123.6819 56.8663 30.2772 176.6348 133 R 4.2403 8.8672 125.0413 56.1826 31.0696 177.5022 134 A 3.5401 8.3995 124.8231 55.2348 18.2110 179.9353 135 I 3.5680 7.7694 117.2097 64.2625 37.8969 177.9784 136 D 4.3322 8.0048 119.0480 57.2649 40.7992 178.3232 137 A 4.2526 8.3780 123.0706 54.5716 18.2743 179.4946 138 Q 3.8502 8.5429 118.2199 59.2857 29.1051 178.1618 139 A 3.9306 7.9943 121.7851 55.1606 18.3569 179.5545 140 R 3.8023 8.2126 117.2244 59.7288 30.1634 178.6540 141 I 3.6983 7.9647 118.5911 63.9046 37.9297 178.0215 142 V 3.6348 8.0387 119.4302 66.0116 31.3034 177.5676 143 E 3.9831 8.5254 119.1976 59.2446 29.5525 178.7408 144 A 4.0066 8.2228 120.8235 55.1694 18.4315 179.8246 145 V 3.3468 8.0093 117.0807 65.7583 31.5283 178.0265 146 K 4.1645 8.6960 119.6599 59.6356 31.5726 178.4713 147 A 4.0477 8.3399 121.1648 55.2143 18.0910 179.7761 148 V 3.6409 7.5621 115.0192 66.3539 32.0149 178.0368 149 L 4.2383 8.4750 119.0870 57.7993 41.1916 179.1036 150 D 4.5302 8.6901 118.9423 56.6553 40.7818 177.5108 151 R 4.5041 7.3258 112.2836 55.9332 29.7897 175.5845 152 H 4.4049 7.8434 118.6199 55.9704 30.6399 174.3931 153 D 4.4270 8.3353 125.5596 53.0666 40.8498 176.7260 154 A 4.0697 8.5145 130.6144 54.8269 18.5059 178.3302 155 R 4.0311 8.1152 113.7892 57.6989 30.4007 176.4408 156 Q 4.4921 7.7216 117.4127 53.1638 29.5352 173.6732 157 P 4.4520 0.0000 0.0000 62.9337 32.7979 175.4158 158 I 5.0648 8.3079 122.3582 59.1547 41.8723 173.6039 159 A 5.0259 8.5068 128.6430 50.1864 22.8532 174.6839 160 F 5.0345 9.4409 119.6714 55.7170 41.9644 175.0747 161 V 4.6197 8.5150 123.1296 60.1285 34.3052 172.8063 162 G 4.0265 8.5369 120.0237 46.9387 0.0000 175.1869 163 H 5.4540 9.4621 122.3139 52.8335 32.2773 174.6079 164 G 3.6863 8.8040 108.9587 47.8186 0.0000 176.3482 165 G 3.7551 8.8036 108.3165 48.0125 0.0000 176.4016 166 V 3.9212 8.7526 116.1727 63.4500 31.4870 179.0182 167 G 3.4525 8.4116 105.8051 48.0786 0.0000 175.8620 168 T 4.1421 8.4798 118.3958 66.4715 68.4919 176.7816 169 L 4.0741 7.9911 120.4921 57.5686 41.5725 179.2216 170 L 3.8520 8.2665 120.7264 58.0467 42.0365 178.8380 171 K 3.3184 8.0150 119.5714 59.5457 32.0036 178.3072 172 C 3.9852 8.1775 117.0417 63.0494 28.2021 175.5135 173 H 3.9794 8.0805 119.5838 59.4099 29.3668 177.2157 174 I 3.6053 7.7914 121.5297 64.4001 36.7954 177.7434 175 E 4.2013 7.9656 116.2474 56.1414 29.4639 177.2624 176 G 3.7912 7.5282 106.8865 46.2464 0.0000 173.7481 177 R 4.5610 7.4635 114.9491 53.3006 31.7541 176.0776 178 G 3.7216 8.2147 107.6978 45.0630 0.0000 173.5712 179 I 3.8380 8.0655 121.5139 61.3469 37.3892 176.0619 180 S 4.6234 8.1906 118.6360 56.5372 65.6976 173.9444 181 R 2.5548 7.8443 122.0587 56.6704 30.4532 173.0634 182 S 3.8650 7.9053 121.3075 57.9872 62.2504 168.3771 *185 Q 3.2738 8.2099 124.3721 54.6931 29.2053 173.1304 186 P 4.5070 0.0000 0.0000 61.9445 32.1227 175.9467 187 A 4.0747 8.2146 123.4786 53.9268 19.0111 178.1651 188 G 3.9415 9.1812 109.6805 44.0986 0.0000 175.1572 189 G 3.8805 7.6092 107.7823 46.2149 0.0000 173.2622 190 G 4.3829 8.0393 104.0437 47.0263 0.0000 173.1946 191 N 5.5477 8.1953 115.5465 51.1298 42.1452 174.5179 192 L 6.1234 9.5020 121.0024 53.2077 44.5738 174.9978 193 F 4.9449 7.8213 113.2736 55.0975 41.3232 172.9744 194 R 5.0159 8.4663 119.4878 54.5903 32.8413 174.4489 195 F 5.3668 8.8258 119.7504 54.9792 42.3755 173.7838 196 S 4.2445 8.8137 115.2991 58.0229 62.7904 174.9666 197 I 3.8064 8.4531 128.7960 64.3964 36.7502 178.0194 198 A 4.1310 7.9972 119.8238 55.5835 18.3076 179.1758 199 E 4.0976 8.0322 115.3961 59.2149 29.5523 178.7497 200 F 4.4040 8.2654 122.3802 62.0326 39.4087 178.1871 201 S 4.2040 7.6352 108.9545 58.5202 61.3743 175.3810 *203 A 4.0496 7.7724 122.5557 52.1167 19.3205 177.1076 204 A 4.1475 8.4014 120.4252 52.8799 18.3779 176.9489 205 A 4.2641 8.6339 126.7213 51.1495 23.1523 175.8249 *208 T 4.2963 8.5482 106.9101 62.3769 70.0869 174.3851 209 C 4.3779 7.9407 117.9212 57.7137 30.3922 173.4220 210 D 4.4317 8.3175 120.2706 53.9201 41.0073 176.6030 211 W 4.5975 8.5648 121.4960 57.8883 29.6564 175.5025 212 T 4.7967 9.0827 117.6834 60.1847 70.8571 175.0182 213 A 4.4914 8.4313 127.4722 51.8663 19.6324 177.6030 *215 E 4.4743 8.8864 111.1104 56.3916 31.3974 176.2801 216 T 4.5614 7.8279 108.2528 60.9923 69.6482 173.9623 217 W 4.5325 8.4283 133.2808 57.7868 31.1226 175.3436 218 Q 4.4089 8.1698 123.6494 55.5415 28.6218 175.8417 219 G 2.2672 5.3800 112.8119 45.1858 0.0000 174.0316 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 21 G 8.35 3.84 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 0.00 0.00 0.00 *23 H 8.41 4.59 0.00 3.06 3.24 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.35 4.79 0.66 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 0.00 0.00 25 L 8.11 4.87 0.00 1.47 1.21 0.77 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.20 4.92 0.00 2.69 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.31 5.25 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.97 0.00 0.00 28 T 9.41 4.93 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 1.33 0.00 0.00 29 H 8.80 4.54 0.00 3.29 3.47 0.00 5.45 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 5.06 0.00 2.23 2.16 0.00 3.45 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 31 Q 8.62 4.21 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 32 V 8.30 4.73 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 1.06 0.00 0.00 1.00 0.00 0.00 33 K 8.86 4.31 0.00 1.82 1.72 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 1.25 7.81 34 I 7.80 2.00 1.03 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.35 0.61 0.00 0.00 35 D 6.13 4.46 0.00 2.29 2.50 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 0.00 0.00 0.00 0.00 36 P 0.00 4.47 0.00 2.23 2.17 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 37 A 8.73 4.55 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.27 3.76 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 1.02 0.00 0.00 1.03 0.00 0.00 39 P 0.00 4.16 0.00 2.16 1.93 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 40 V 8.22 2.00 1.60 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 0.13 0.00 0.00 0.41 0.00 0.00 41 P 0.00 4.17 0.00 2.11 1.97 0.00 3.39 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 42 E 7.56 4.24 0.00 2.17 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 2.30 2.20 0.00 43 W 7.85 4.50 0.00 3.26 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.46 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 45 L 8.68 4.99 0.00 1.55 1.63 0.95 1.09 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 46 S 8.79 4.37 0.00 3.95 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 47 E 8.90 3.87 0.00 2.03 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 2.38 2.38 0.00 48 R 7.98 3.96 0.00 1.96 1.91 0.00 3.41 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 49 G 8.15 3.66 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 0.00 0.00 0.00 50 A 8.43 4.01 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 51 E 8.29 3.86 0.00 2.09 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 0.00 2.37 2.38 0.00 52 R 8.12 3.96 0.00 2.12 2.02 0.00 3.21 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 53 A 8.10 4.03 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 54 R 8.02 3.87 0.00 1.94 2.00 0.00 3.18 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 55 E 8.57 4.09 0.00 2.21 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 2.34 2.50 0.00 56 A 8.28 4.04 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.82 3.88 0.00 4.08 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 58 R 7.23 4.20 0.00 1.68 1.94 0.00 3.12 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 59 L 6.93 4.19 0.00 1.01 1.31 1.30 0.89 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 60 P 0.00 4.16 0.00 2.14 2.09 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 61 W 8.07 4.33 0.00 3.70 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 62 A 6.61 3.92 0.46 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 63 K 7.90 3.86 0.00 1.78 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.49 7.81 64 A 7.70 4.21 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 65 L 7.16 4.26 0.00 1.78 1.64 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 R 9.03 4.63 0.00 1.71 1.99 0.00 3.07 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 67 R 7.80 5.09 0.00 1.79 1.62 0.00 3.07 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.72 0.00 68 I 9.03 4.85 1.82 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 1.09 0.63 0.85 0.00 0.00 69 V 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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 0.00 138 Q 8.54 3.85 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 139 A 7.99 3.93 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 0.00 140 R 8.21 3.80 0.00 1.95 2.16 0.00 3.04 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 141 I 7.96 3.70 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.99 0.00 0.00 142 V 8.04 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 0.65 0.00 0.00 0.75 0.00 0.00 143 E 8.53 3.98 0.00 2.11 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 2.34 2.36 0.00 144 A 8.22 4.01 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 0.00 145 V 8.01 3.35 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.42 0.00 0.00 146 K 8.70 4.16 0.00 2.22 2.13 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.67 7.81 147 A 8.34 4.05 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 0.00 148 V 7.56 3.64 2.52 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 0.95 0.00 0.00 1.12 0.00 0.00 149 L 8.47 4.24 0.00 1.80 1.79 0.73 1.05 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 0.00 150 D 8.69 4.53 0.00 2.88 2.80 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 0.00 151 R 7.33 4.50 0.00 1.97 2.05 0.00 3.09 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.59 0.00 152 H 7.84 4.40 0.00 3.31 3.48 0.00 5.94 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.34 4.43 0.00 2.66 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 0.00 154 A 8.51 4.07 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 0.00 155 R 8.12 4.03 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 156 Q 7.72 4.49 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 157 P 0.00 4.45 0.00 2.23 2.03 0.00 3.55 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 158 I 8.31 5.06 1.68 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.29 0.64 0.00 0.00 159 A 8.51 5.03 1.19 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 0.00 0.00 0.00 0.00 0.00 160 F 9.44 5.03 0.00 2.83 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 0.00 161 V 8.51 4.62 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 0.91 0.00 0.00 0.89 0.00 0.00 162 G 8.54 4.03 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 0.00 0.00 0.00 163 H 9.46 5.45 0.00 3.32 3.41 0.00 5.62 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 0.00 164 G 8.80 3.69 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 0.00 0.00 0.00 165 G 8.80 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 0.00 166 V 8.75 3.92 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 0.98 0.00 0.00 1.21 0.00 0.00 167 G 8.41 3.45 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 0.00 168 T 8.48 4.14 4.73 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 1.24 0.00 0.00 169 L 7.99 4.07 0.00 1.96 1.76 1.15 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.27 3.85 0.00 1.63 1.64 0.87 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.01 3.32 0.00 1.38 1.63 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 0.21 7.81 172 C 8.18 3.99 0.00 3.16 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 0.00 173 H 8.08 3.98 0.00 3.20 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 7.79 3.61 1.85 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.59 0.94 0.00 0.00 175 E 7.97 4.20 0.00 1.89 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 2.22 2.22 0.00 176 G 7.53 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 0.00 0.00 0.00 177 R 7.46 4.56 0.00 1.88 1.84 0.00 3.01 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 178 G 8.21 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 0.00 179 I 8.07 3.84 1.83 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 1.48 0.55 1.02 0.00 0.00 180 S 8.19 4.62 0.00 3.85 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 0.00 181 R 7.84 2.55 0.00 1.29 1.59 0.00 3.34 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.00 182 S 7.91 3.86 0.00 3.92 3.93 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 0.00 0.00 0.00 *185 Q 8.21 3.27 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.79 0.00 0.00 0.00 0.00 0.00 1.79 2.04 0.00 186 P 0.00 4.51 0.00 2.19 2.01 0.00 3.47 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 187 A 8.21 4.07 1.23 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 0.00 0.00 188 G 9.18 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 0.00 189 G 7.61 3.88 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 0.00 0.00 0.00 190 G 8.04 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 0.00 0.00 0.00 191 N 8.20 5.55 0.00 2.75 3.02 0.00 0.00 6.56 6.34 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 0.00 192 L 9.50 6.12 0.00 1.45 1.54 -0.64 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 193 F 7.82 4.94 0.00 2.81 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 0.00 0.00 0.00 194 R 8.47 5.02 0.00 1.64 1.81 0.00 3.29 0.00 0.00 3.76 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 195 F 8.83 5.37 0.00 3.24 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 0.00 196 S 8.81 4.24 0.00 3.80 3.85 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 0.00 197 I 8.45 3.81 1.87 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 1.42 0.77 0.98 0.00 0.00 198 A 8.00 4.13 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 0.00 199 E 8.03 4.10 0.00 2.08 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 0.00 2.39 2.50 0.00 200 F 8.27 4.40 0.00 3.43 3.47 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 0.00 201 S 7.64 4.20 0.00 3.72 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 *203 A 7.77 4.05 1.23 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 0.00 0.00 204 A 8.40 4.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 A 8.63 4.26 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 *208 T 8.55 4.30 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 1.25 0.00 0.00 209 C 7.94 4.38 0.00 3.33 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 0.00 210 D 8.32 4.43 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 0.00 211 W 8.56 4.60 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 T 9.08 4.80 4.32 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 1.09 0.00 0.00 213 A 8.43 4.49 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 *215 E 8.89 4.47 0.00 2.21 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 2.28 2.50 0.00 216 T 7.83 4.56 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 1.30 0.00 0.00 217 W 8.43 4.53 0.00 3.37 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 0.00 218 Q 8.17 4.41 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.28 1.90 0.00 219 G 5.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.