NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5262 8.2185 120.1948 53.7544 42.8063 175.5608 3 A 3.8192 8.7950 128.7425 55.2922 18.2418 178.4606 4 A 4.0017 8.5259 119.7441 55.5171 18.8630 178.1580 5 E 4.0050 8.4783 117.4053 59.3579 29.5395 179.5821 6 V 3.6917 7.7375 117.8995 66.1124 31.7098 177.4034 7 E 3.9412 8.3278 118.9877 59.2236 29.1734 178.2753 8 F 4.0191 8.0056 119.6989 61.5288 39.6604 176.9226 9 L 3.9342 7.9390 117.8270 57.4941 41.4187 179.0991 10 A 2.5986 7.8926 121.0286 54.9129 18.4622 179.3076 11 E 4.0688 8.3741 116.0267 58.3790 29.3081 178.9808 12 K 4.2565 7.5822 118.0059 56.9661 32.8933 176.7783 13 E 4.1128 7.9092 122.0449 56.2473 30.5457 176.3856 14 L 4.6977 8.4859 126.2649 55.1696 42.7952 176.1666 15 V 4.4934 8.7318 120.7757 62.2157 36.1260 172.8149 16 T 5.1844 8.4032 120.1847 61.6829 71.1504 173.6218 17 I 4.9619 8.4690 118.4058 59.2072 41.8156 174.6462 18 I 4.6150 8.7961 125.2084 58.8160 38.5789 173.4155 19 P 4.7662 0.0000 0.0000 62.3992 32.3704 176.5741 20 N 5.0875 8.6094 119.1935 52.5293 38.1485 173.4505 21 F 5.1070 7.3887 113.4382 55.5673 41.6784 173.3631 22 S 5.1352 8.6594 112.7865 56.7634 64.7071 172.8049 23 L 4.6387 8.8184 125.8394 54.0881 45.9297 174.1688 24 D 4.9052 8.7772 125.8625 52.2717 41.1476 175.4790 25 K 3.8734 8.5727 120.0784 57.2521 32.6359 175.6861 26 I 4.0731 8.2561 128.8049 60.7412 38.5432 175.2207 27 Y 4.9756 8.4376 126.5262 56.4821 36.4173 175.1955 28 L 4.3433 8.0515 123.0548 53.8859 42.9456 178.3739 29 I 3.7131 8.6335 115.5668 63.6888 37.3087 176.5264 30 G 4.0735 7.8944 108.6512 45.7195 0.0000 173.8331 31 G 4.1036 8.1340 106.8343 44.4086 0.0000 174.3912 32 D 4.8554 8.3796 120.4626 54.2432 41.6094 177.0961 33 L 4.6091 8.3726 120.0918 52.7544 42.4513 175.4025 34 G 3.7499 7.5080 109.7635 41.0000 0.0000 169.4776 35 P 4.6240 0.0000 0.0000 62.6991 32.3225 175.2039 36 F 4.6549 9.9702 120.0277 55.9570 41.5859 174.1509 37 N 5.3114 8.3956 121.3060 50.1643 41.5853 172.7318 38 P 4.3648 0.0000 0.0000 64.1818 31.7492 177.0623 39 G 3.9215 8.9125 109.2260 45.4997 0.0000 173.2700 40 L 4.6735 7.1918 119.0755 51.9355 43.8209 174.5768 41 P 4.5895 0.0000 0.0000 62.6038 32.2572 175.9460 42 V 4.2279 8.3762 122.9075 60.8380 34.9521 173.8620 43 E 4.6720 8.5671 128.4239 55.8712 30.3736 175.5729 44 V 4.4279 9.0027 125.5509 60.6625 35.9018 171.8765 45 P 4.4360 0.0000 0.0000 62.2731 31.9534 177.0883 46 L 3.8687 8.8232 125.1735 58.1590 41.8989 179.6118 47 W 4.2203 7.9442 116.1309 59.5392 27.9897 178.0581 48 L 3.7938 6.4943 120.8407 57.4225 41.4413 178.3914 49 A 3.9564 7.6309 120.6217 55.5169 18.3052 179.7334 50 I 3.6891 7.9402 118.1726 64.6090 37.0508 177.8771 51 N 4.3221 8.1703 117.9449 56.3832 38.8288 176.5539 52 L 3.9554 8.3640 120.3732 57.9791 41.8320 179.8360 53 K 3.9170 8.2703 119.1310 59.8101 32.0320 178.8960 54 Q 4.0805 7.9549 116.7865 58.9514 28.7151 178.5199 55 R 4.1080 8.2127 116.7949 55.8872 30.6016 176.2032 56 Q 3.6009 8.2472 117.2980 57.5169 26.8852 174.0441 57 K 4.8007 8.1394 114.8076 55.9363 33.8440 175.9710 58 C 5.2977 7.3306 114.1998 58.1284 32.1329 172.5249 59 R 4.8055 8.2345 118.3276 54.6487 32.8878 174.2116 60 L 4.9093 9.3662 125.2068 53.3390 43.7980 175.9668 61 L 4.7514 7.9739 121.9313 51.9655 43.4576 175.0664 62 P 4.1792 0.0000 0.0000 61.7492 31.8291 174.5764 63 P 4.1721 0.0000 0.0000 62.4732 31.7021 177.0182 64 E 3.9698 8.7480 121.7378 58.6009 29.5697 177.6306 65 W 4.5363 7.0165 115.2492 54.8344 27.1274 174.0346 *67 D 4.3165 7.9315 124.0331 54.4755 42.6284 174.3594 68 V 3.5290 8.4060 126.5389 66.5219 31.6168 177.4193 69 E 3.9295 8.2232 117.9305 59.5241 29.2902 178.9892 70 K 4.0787 7.7800 116.5809 59.3290 32.1383 179.1690 71 L 4.2143 8.3492 118.9854 57.7209 41.8751 178.8143 72 E 4.2172 8.6879 118.9251 59.4232 29.4599 181.0087 73 K 3.8330 7.7497 115.8043 56.7886 31.9805 179.1016 *75 R 4.2770 7.9847 118.0073 56.4840 31.6332 177.3932 76 D 4.2677 8.2160 118.4977 57.3656 40.7651 177.8407 77 H 4.1081 8.2044 118.7174 59.5601 29.7343 176.6665 78 E 3.7836 8.0814 120.2167 59.3370 29.3753 178.6428 79 R 3.9300 8.0067 117.6715 59.5720 30.1124 177.2649 80 K 4.0603 8.4874 120.3850 56.6317 32.3431 176.4371 81 E 3.8699 7.6372 121.2912 56.0930 31.0111 177.3143 82 E 4.0128 8.5456 120.6263 58.3968 30.2489 176.3799 83 T 4.0770 7.3007 111.2368 60.4619 69.1120 172.9721 84 F 5.2695 8.5117 120.7320 56.1901 39.7902 176.0993 85 T 4.3688 8.7053 115.5612 59.7938 70.1191 173.0594 86 P 4.4448 0.0000 0.0000 61.5936 33.3030 173.6100 *88 P 4.2166 0.0000 0.0000 62.0324 32.8353 177.1142 89 S 4.6444 6.8658 109.6022 55.5084 65.2903 171.7573 90 P 4.4086 0.0000 0.0000 64.2604 31.4423 175.7794 91 Y 4.9906 7.8404 117.8560 57.7038 38.7194 177.0379 92 Y 3.9729 8.1898 114.3471 57.3965 37.7719 178.1437 *94 E 4.2521 8.3562 119.9908 57.4859 31.6888 177.9821 95 L 4.0226 8.0652 118.4555 58.5203 41.7164 179.9728 96 T 3.9077 7.8383 114.1149 66.4266 68.4327 176.6923 97 K 3.8649 7.8447 120.8914 59.4874 32.3307 178.4133 98 L 3.8722 8.4532 119.4726 57.9900 41.5791 179.5687 99 L 3.9555 8.1686 118.7765 57.7653 41.3536 179.7218 100 L 3.9351 7.6614 117.5323 58.0133 41.7178 179.0312 101 N 4.4567 7.9225 114.8182 55.9988 38.5708 176.3053 102 H 4.9584 7.9463 114.0239 55.3007 29.5906 175.8506 103 A 4.5481 8.1188 124.6629 51.0265 19.7122 178.5361 104 S 4.2407 8.2744 116.0644 61.6723 63.3655 175.0938 105 D 4.5717 7.9679 119.5276 54.5972 39.6968 176.3683 106 N 4.7885 8.1650 116.3017 52.8806 39.3726 174.1892 107 I 4.3398 7.1742 120.1822 58.2595 38.7361 173.6867 108 P 4.0328 0.0000 0.0000 64.8536 31.9318 176.8882 109 K 3.8049 8.7526 120.0205 57.2977 31.5487 174.7880 110 A 3.9407 7.8305 126.7993 56.4172 17.7649 180.1039 111 D 4.5823 7.8861 114.1889 56.0600 40.0139 178.5249 112 E 4.3858 8.2223 120.0221 57.8321 30.4948 178.1036 113 I 3.8111 8.2683 120.5453 64.0322 36.9307 178.1450 114 R 3.9059 7.9797 119.1479 59.8013 29.9377 178.4375 115 T 3.8923 7.3413 112.9930 66.7518 68.2765 176.4835 116 L 4.0362 7.5813 118.9557 58.0005 41.7422 179.5925 117 V 3.9403 8.0018 117.2167 65.7415 31.7690 177.5855 118 K 4.2046 8.5468 119.9272 59.4082 32.1470 177.8176 119 D 4.8785 8.3721 119.2568 54.3229 41.4917 178.5506 *121 W 4.8750 7.9618 129.6275 57.7517 32.7094 176.3608 122 D 4.5188 8.9014 118.7873 57.9947 40.3756 179.3143 123 T 3.9829 8.2473 109.7887 64.4878 68.7832 177.0300 124 R 4.0726 7.7480 120.8008 59.1036 30.1847 178.6682 125 I 3.4623 7.5812 119.4478 63.9215 36.9276 178.3257 126 A 3.9303 7.6775 121.7360 55.2553 18.2733 179.8505 127 K 3.7888 7.9010 116.6815 59.3438 31.9528 179.4122 128 L 4.2766 8.2182 120.8339 58.1721 42.0632 179.1293 129 R 3.8931 8.2135 118.2721 59.3755 29.9990 179.0458 130 V 3.5857 7.8557 117.8917 66.1375 31.4791 177.9632 131 S 4.0462 8.5540 112.8761 61.2556 62.2130 175.8053 132 A 3.9742 8.6506 123.8070 55.3136 18.0623 179.0339 133 D 4.3129 8.6208 116.7780 57.5854 41.2861 178.0433 134 S 4.0835 8.3247 113.7401 61.5581 62.2406 175.6038 135 F 4.0535 8.8537 123.3589 61.5801 38.8374 177.4521 136 V 3.6792 8.0578 116.0925 66.0950 31.8112 177.9435 137 R 4.1125 8.2349 117.8709 59.4111 29.7968 178.7418 138 Q 4.1258 8.4228 113.2632 55.4765 29.5221 176.3319 139 Q 3.0851 7.3220 118.0948 56.8072 26.7386 173.2006 140 E 4.1953 6.9570 115.7481 55.3320 31.3485 176.7640 141 A 4.6207 8.3275 121.9994 52.6674 21.0443 176.7186 142 H 5.0024 8.2322 113.6174 54.2374 32.6404 172.2587 143 A 4.8901 8.3274 127.7642 50.0612 21.9817 174.8383 144 K 4.5025 8.5257 120.5758 54.7034 34.2796 176.9252 145 L 4.6874 8.0238 127.8552 54.1367 42.0304 176.3204 146 D 4.3318 7.7934 117.8315 55.7097 41.6257 176.8930 147 N 4.3149 8.7858 118.5356 53.6334 36.0376 173.6663 148 L 4.3549 7.1803 118.5698 52.9901 43.4116 176.7534 149 T 4.2296 8.6435 113.7884 60.6007 69.9980 176.3819 150 L 4.1957 8.0391 120.8420 54.9963 40.9413 179.4131 *152 E 4.1992 8.3018 120.1608 56.6174 31.5186 178.4346 153 I 3.5459 7.7512 119.6269 64.3958 37.3745 178.1009 154 N 4.4757 8.4011 117.3629 55.9596 38.5913 176.8457 155 T 4.2281 7.9545 114.1595 65.4918 69.0000 175.8539 156 S 4.8429 7.6907 115.4130 58.2460 64.1935 175.5508 157 G 3.7233 8.3586 108.2103 48.1755 0.0000 175.5362 158 T 3.9002 7.8466 115.7897 65.9022 68.9633 176.0430 159 F 3.9809 8.2198 121.6550 61.2667 39.6377 176.8378 160 L 4.0097 8.3102 118.7333 58.3702 41.5034 179.7746 161 T 3.8307 8.3740 115.8038 66.5597 68.3170 176.5099 162 Q 3.7325 8.0257 121.3078 58.9245 28.8324 178.1149 163 A 3.8150 7.3801 120.6010 55.2146 18.5141 179.4216 164 L 4.1555 7.6854 116.1050 57.8775 41.8230 179.1704 165 N 4.6552 8.0072 116.6149 56.0953 38.4649 176.6367 166 H 4.7541 7.9675 116.1071 56.5817 28.5073 176.6244 *168 Y 4.5796 7.8416 124.1548 57.6825 40.6862 177.2426 169 K 3.8945 8.0655 118.8093 59.4282 32.0433 179.3565 170 L 4.1222 7.9220 119.2338 57.7099 41.4135 179.0690 171 R 4.2074 7.1558 115.1812 57.7873 30.3129 176.8825 172 T 4.5094 7.5029 104.6395 61.9209 71.1330 174.9510 173 N 4.3239 7.9237 120.5179 55.1420 37.3795 174.9467 174 L 4.1725 7.5414 123.5661 55.0645 41.7440 176.3721 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 D 8.22 4.53 0.00 2.78 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 3 A 8.80 3.82 1.37 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 0.00 0.00 4 A 8.53 4.00 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 5 E 8.48 4.01 0.00 2.15 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 2.30 2.56 0.00 6 V 7.74 3.69 2.30 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 1.17 0.00 0.00 1.07 0.00 0.00 7 E 8.33 3.94 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 8 F 8.01 4.02 0.00 3.06 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 9 L 7.94 3.93 0.00 2.01 1.64 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.89 2.60 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 11 E 8.37 4.07 0.00 1.98 2.12 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 2.35 2.57 0.00 12 K 7.58 4.26 0.00 1.78 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.15 7.81 13 E 7.91 4.11 0.00 2.30 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 0.00 2.49 2.46 0.00 14 L 8.49 4.70 0.00 1.56 1.57 0.88 0.83 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 15 V 8.73 4.49 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 0.85 0.00 0.00 0.91 0.00 0.00 16 T 8.40 5.18 4.18 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 1.14 0.00 0.00 17 I 8.47 4.96 1.94 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 1.22 0.89 0.88 0.00 0.00 18 I 8.80 4.62 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.45 0.83 0.00 0.00 19 P 0.00 4.77 0.00 1.58 1.07 0.00 3.49 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 20 N 8.61 5.09 0.00 2.76 2.89 0.00 0.00 6.70 6.95 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 21 F 7.39 5.11 0.00 3.03 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 22 S 8.66 5.14 0.00 3.91 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 23 L 8.82 4.64 0.00 2.07 1.51 0.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.78 4.91 0.00 2.77 2.73 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 25 K 8.57 3.87 0.00 1.70 1.56 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.57 1.25 7.81 26 I 8.26 4.07 1.92 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.45 0.95 0.00 0.00 27 Y 8.44 4.98 0.00 2.92 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 28 L 8.05 4.34 0.00 2.05 1.73 1.15 0.86 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 29 I 8.63 3.71 1.92 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 1.39 0.47 0.96 0.00 0.00 30 G 7.89 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 0.00 0.00 0.00 31 G 8.13 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 32 D 8.38 4.86 0.00 2.62 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 33 L 8.37 4.61 0.00 1.77 1.70 0.90 0.87 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 34 G 7.51 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 35 P 0.00 4.62 0.00 2.10 2.15 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 36 F 9.97 4.65 0.00 2.75 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 37 N 8.40 5.31 0.00 2.61 2.63 0.00 0.00 6.84 8.03 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 38 P 0.00 4.36 0.00 2.13 2.12 0.00 3.78 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 1.95 1.96 0.00 39 G 8.91 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 0.00 0.00 0.00 40 L 7.19 4.67 0.00 1.56 1.48 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.59 0.00 1.85 1.90 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 42 V 8.38 4.23 1.66 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 0.22 0.00 0.00 0.68 0.00 0.00 43 E 8.57 4.67 0.00 1.91 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 44 V 9.00 4.43 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.87 0.00 0.00 45 P 0.00 4.44 0.00 1.00 1.69 0.00 3.29 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 46 L 8.82 3.87 0.00 1.86 1.75 0.93 0.83 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 47 W 7.94 4.22 0.00 3.62 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 48 L 6.49 3.79 0.00 0.29 1.28 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.63 3.96 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 50 I 7.94 3.69 1.93 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 1.46 0.87 0.93 0.00 0.00 51 N 8.17 4.32 0.00 2.98 2.97 0.00 0.00 7.12 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 2.40 2.43 0.00 70 K 7.78 4.08 0.00 2.00 1.94 0.00 1.93 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.67 7.81 71 L 8.35 4.21 0.00 1.79 1.82 1.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.69 4.22 0.00 2.15 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 2.36 2.52 0.00 73 K 7.75 3.83 0.00 2.00 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 *75 R 7.98 4.28 0.00 2.04 2.25 0.00 3.00 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 76 D 8.22 4.27 0.00 2.75 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 77 H 8.20 4.11 0.00 3.31 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.08 3.78 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 4.22 0.00 0.49 1.73 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.80 0.00 89 S 6.87 4.64 0.00 3.90 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 90 P 0.00 4.41 0.00 1.68 1.98 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 91 Y 7.84 4.99 0.00 3.11 2.93 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 92 Y 8.19 3.97 0.00 2.56 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 *94 E 8.36 4.25 0.00 2.33 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 0.00 2.35 2.41 0.00 95 L 8.07 4.02 0.00 2.05 1.92 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.84 3.91 4.39 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 1.30 0.00 0.00 97 K 7.84 3.86 0.00 1.74 1.85 0.00 1.67 0.00 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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 0.00 1.27 0.00 0.00 124 R 7.75 4.07 0.00 1.90 2.02 0.00 3.07 0.00 0.00 3.63 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 125 I 7.58 3.46 1.64 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.15 0.72 0.00 0.00 126 A 7.68 3.93 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 0.00 127 K 7.90 3.79 0.00 1.84 1.35 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.32 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.58 7.81 128 L 8.22 4.28 0.00 1.96 1.86 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.21 3.89 0.00 2.02 1.95 0.00 3.14 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 130 V 7.86 3.59 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 1.04 0.00 0.00 0.95 0.00 0.00 131 S 8.55 4.05 0.00 3.91 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 0.00 132 A 8.65 3.97 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 0.00 133 D 8.62 4.31 0.00 2.71 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 0.00 134 S 8.32 4.08 0.00 3.94 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 0.00 135 F 8.85 4.05 0.00 3.07 3.19 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 0.00 136 V 8.06 3.68 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 0.96 0.00 0.00 1.15 0.00 0.00 137 R 8.23 4.11 0.00 2.03 1.96 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 138 Q 8.42 4.13 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 139 Q 7.32 3.09 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 140 E 6.96 4.20 0.00 1.16 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 2.10 2.29 0.00 141 A 8.33 4.62 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 0.00 142 H 8.23 5.00 0.00 3.14 3.18 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.33 4.89 1.07 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 0.00 0.00 144 K 8.53 4.50 0.00 1.74 1.82 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.67 1.45 7.81 145 L 8.02 4.69 0.00 1.63 1.46 0.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 146 D 7.79 4.33 0.00 2.67 2.60 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 0.00 147 N 8.79 4.31 0.00 2.92 3.17 0.00 0.00 6.90 7.85 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 0.00 148 L 7.18 4.35 0.00 1.58 1.34 -0.29 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.64 4.23 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 150 L 8.04 4.20 0.00 1.77 1.79 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *152 E 8.30 4.20 0.00 2.07 1.77 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 1.74 2.48 0.00 153 I 7.75 3.55 2.04 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 1.18 0.57 0.88 0.00 0.00 154 N 8.40 4.48 0.00 2.82 2.92 0.00 0.00 7.22 7.77 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 0.00 155 T 7.95 4.23 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 0.00 156 S 7.69 4.84 0.00 3.91 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 0.00 157 G 8.36 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 0.00 158 T 7.85 3.90 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 159 F 8.22 3.98 0.00 3.10 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 0.00 160 L 8.31 4.01 0.00 1.87 1.66 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.37 3.83 4.19 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 1.16 0.00 0.00 162 Q 8.03 3.73 0.00 2.24 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 163 A 7.38 3.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.69 4.16 0.00 1.79 1.79 1.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 165 N 8.01 4.66 0.00 2.90 2.85 0.00 0.00 6.92 8.18 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 0.00 166 H 7.97 4.75 0.00 3.32 3.26 0.00 5.66 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 *168 Y 7.84 4.58 0.00 3.14 3.05 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 0.00 0.00 0.00 169 K 8.07 3.89 0.00 1.99 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.87 7.81 170 L 7.92 4.12 0.00 1.69 1.69 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.16 4.21 0.00 1.60 1.90 0.00 3.22 0.00 0.00 3.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 172 T 7.50 4.51 4.04 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 0.64 0.00 0.00 173 N 7.92 4.32 0.00 2.84 3.08 0.00 0.00 6.90 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 0.00 174 L 7.54 4.17 0.00 1.66 1.59 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.