NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7824 8.3544 109.7363 45.5675 0.0000 172.4583 2 D 4.5459 8.4982 119.4172 51.2581 41.1264 174.1464 3 T 4.5057 9.0002 116.4676 60.9012 70.5107 174.4045 4 R 4.0068 7.6672 121.8536 56.0793 30.6258 174.8363 5 P 4.3051 0.0000 0.0000 62.6014 32.2126 175.7940 6 R 4.2750 7.6390 118.1210 54.3935 32.5066 176.1225 7 F 4.7494 8.1829 117.9528 56.0145 41.6678 173.9660 8 L 4.8700 8.3566 128.0143 53.2883 44.0966 175.5831 9 W 5.6631 8.6107 132.9401 56.1730 33.8061 173.8661 10 Q 4.5799 8.4548 125.5743 53.7814 32.0863 174.0838 11 L 4.8232 8.3219 124.0823 53.0893 44.8429 175.5427 12 K 4.5563 8.6908 125.0171 54.5626 36.0675 175.1839 13 F 5.1793 9.0656 123.4787 56.0556 40.8460 174.5312 14 E 4.6286 9.5522 125.0922 54.9674 31.3909 174.7424 15 C 5.0927 8.8487 122.5739 55.7589 42.6554 172.8298 16 H 4.5950 9.0334 122.8120 54.1289 30.1725 174.3078 17 F 5.4398 8.4532 121.8337 55.6526 41.1788 174.9289 18 F 4.8003 8.8658 120.8625 55.9185 43.0339 174.6195 19 N 4.1434 9.6071 120.3724 54.8020 37.9948 174.2750 20 G 3.9495 7.6683 114.1726 47.1489 0.0000 173.9639 21 T 4.3495 8.1894 112.9655 60.8827 68.1275 175.1390 22 E 3.9011 7.4763 122.9939 58.1949 30.4194 176.0356 23 R 4.7606 8.1998 113.5885 54.4334 32.2442 174.7944 24 V 4.9489 8.3154 121.1556 61.1980 35.0270 174.1653 25 R 4.6946 8.9015 126.7733 54.3641 33.6713 173.4095 26 L 5.2161 9.3165 128.0486 53.1986 44.9105 174.5366 27 L 5.1607 9.2898 128.8131 53.4511 44.6415 174.3451 28 E 5.0842 9.5892 129.3509 54.6479 31.3578 174.8663 29 R 5.0901 9.0200 123.2660 54.6630 33.4004 173.7154 30 C 4.8564 9.0497 118.8744 57.9924 31.4786 172.9967 31 I 4.4141 7.5358 122.8841 60.7716 40.0035 174.2586 32 Y 4.7636 9.4692 130.9842 58.7346 37.6418 175.8400 33 N 4.3151 7.9410 117.3791 53.3702 40.5505 175.0585 34 Q 4.4414 7.8369 119.0960 55.5550 30.6471 174.7014 35 E 4.5418 7.8508 118.2369 54.1990 30.8842 174.5037 36 E 4.4200 8.8469 128.2237 56.4001 29.9805 175.5412 37 S 4.7981 9.2199 120.5975 58.5727 65.5374 174.1389 38 V 4.8063 7.5832 118.4958 61.1294 35.6266 174.0826 39 R 5.2221 8.6181 118.9188 55.5429 33.3900 173.4955 40 F 4.6619 9.8119 123.9321 56.4670 42.2117 173.0990 41 D 5.0831 7.6956 126.8100 52.2452 42.0828 177.2409 42 S 4.2850 9.0291 122.2047 61.1584 63.1722 175.5527 43 D 4.3910 8.0749 120.3556 56.5024 40.8865 177.6999 44 V 3.6340 7.3716 118.0365 63.7974 31.8254 176.9678 45 G 3.9998 9.5546 107.5390 45.0322 0.0000 172.2755 46 E 4.8892 6.9227 115.0360 54.9733 32.5057 174.2455 47 Y 4.6544 9.0690 117.5316 58.4817 38.6145 176.0495 48 R 4.8375 8.9620 120.0770 54.7475 34.8870 174.7280 49 A 4.3671 8.8708 126.0639 52.3670 18.6513 177.2154 50 V 4.2995 9.8029 121.1084 63.7245 32.5888 175.6362 51 T 4.7610 7.6291 108.7237 59.9413 71.9791 174.2760 52 E 3.9898 8.8211 121.2231 59.3235 29.7086 179.3562 53 L 3.9053 8.1411 119.8192 57.8865 42.3217 178.4610 54 G 3.8549 8.2163 103.9640 45.6090 0.0000 175.6838 55 R 3.8927 7.6157 120.9741 59.2032 30.1322 176.5070 56 P 4.1566 0.0000 0.0000 65.8512 31.2734 178.3817 57 D 3.4675 7.6995 116.4930 56.9223 40.6173 178.3294 58 A 4.1027 7.6677 121.1610 55.3992 18.1546 179.5614 59 E 3.9276 7.9551 115.6638 59.7756 29.7135 178.7323 60 Y 4.3826 8.0126 119.5963 60.5039 38.8253 177.8755 61 W 4.1276 8.4533 120.3089 59.6365 28.8869 178.0458 62 N 4.8076 8.5238 115.2860 55.0759 38.1023 176.4266 63 S 4.7806 7.5090 114.5938 57.9588 64.3466 174.3382 64 Q 4.4651 7.8164 123.3657 53.9031 28.6904 175.9896 65 K 3.9193 8.6993 123.2928 59.5561 32.2509 178.3114 66 D 4.4015 8.1106 118.6056 56.3909 39.0761 178.2667 67 L 3.8666 7.8039 121.1137 57.9185 42.2390 178.8013 68 L 3.9551 8.0550 118.8998 57.7154 41.5276 179.3956 69 E 3.9516 8.6594 119.1742 59.4668 29.2457 179.4361 70 Q 3.9400 7.8478 116.2708 59.2020 28.9433 178.1967 71 R 3.6768 8.0604 120.9093 59.1041 29.7827 178.6957 72 R 4.0933 8.2046 116.8322 59.0313 30.3318 178.1405 73 A 4.3182 8.0266 118.3066 52.8999 18.8190 179.0171 74 A 4.1813 7.7337 121.4396 54.4690 18.3704 180.1383 75 V 3.8355 7.9966 110.6111 64.2382 31.3668 177.8954 76 D 4.5181 7.8823 118.1102 56.9984 41.3372 178.7969 77 T 4.0473 8.3259 109.8638 64.0043 68.8029 173.8863 78 Y 4.6910 8.3505 120.4805 60.0462 40.5646 176.2772 79 C 4.2492 8.2199 116.9238 59.9770 38.5308 176.0182 80 R 3.9656 8.7944 119.5976 59.7681 30.0065 178.8090 81 H 4.1128 8.0851 117.9477 59.5890 29.9743 177.2605 82 N 4.3217 8.6705 118.4837 56.1284 37.8266 176.9198 83 Y 3.7166 8.3728 121.7791 60.4869 38.5943 178.2416 84 G 3.6389 7.9836 105.6843 47.5097 0.0000 175.7182 85 V 3.8368 7.3589 119.5042 65.5010 32.0598 177.6949 86 G 3.2146 7.8652 103.3546 44.5037 0.0000 174.8327 87 E 3.3506 7.7290 122.7745 59.4511 29.2560 178.7954 88 S 4.1980 7.9905 112.3047 60.5899 62.7868 174.8783 89 F 4.8244 7.4949 114.3525 56.2220 37.4845 175.2520 90 T 4.4229 6.6916 108.9914 63.2217 70.8284 175.9098 91 V 3.5660 7.5062 123.8129 64.6594 31.8234 177.1613 92 Q 4.3971 7.6257 115.5195 55.5887 29.2815 175.9941 93 R 4.0499 7.3787 118.7653 57.0023 30.5585 175.9231 94 R 5.1294 8.2891 122.2183 55.2449 34.5121 174.4492 95 V 4.5027 9.2559 123.9881 60.7825 34.6069 174.3187 96 E 5.0169 9.2733 129.3119 55.1111 30.2839 174.4546 97 P 4.8293 0.0000 0.0000 62.6115 32.9267 175.3669 98 K 4.3861 9.2718 124.3954 55.5602 33.3692 175.2204 99 V 4.9819 8.3598 127.4992 61.4825 33.6397 174.5228 100 T 4.8448 8.7675 121.0539 60.6465 71.3228 172.2509 101 V 5.1139 8.4458 126.7105 61.4402 34.2585 173.9286 102 Y 5.0598 8.0903 124.1045 55.2793 41.6080 171.9219 103 P 4.5279 0.0000 0.0000 62.3714 32.3674 176.0760 104 S 4.3614 8.6852 117.5592 57.7445 63.1597 174.6443 105 K 4.4338 8.1034 124.5627 55.7682 30.5354 175.5642 106 T 4.2170 7.7936 117.2484 64.8917 71.7375 175.8916 107 Q 2.5200 7.6167 114.9361 57.1144 29.3042 172.4355 *111 H 4.6176 8.0037 117.4764 56.8549 30.4015 171.3653 112 H 5.0212 8.5111 113.8543 54.3759 31.4709 173.8557 113 N 4.7712 9.1150 119.8908 51.6806 41.2575 173.2281 114 L 4.1530 8.3315 129.4491 54.5065 43.2868 175.2663 115 L 4.4698 7.9142 126.5834 53.1448 44.1599 175.7645 116 V 4.4778 8.3867 122.3105 61.1211 34.5942 173.3495 117 C 4.9089 8.7915 128.3786 54.9731 42.7574 172.2877 118 S 4.9280 8.9984 123.4188 57.2734 63.5475 172.9149 119 V 4.7375 8.9404 128.2404 61.2706 33.8477 174.3558 120 S 5.3611 8.8606 122.1243 56.4858 67.3778 173.8922 121 G 4.2338 8.8618 105.1174 46.6098 0.0000 173.2099 122 F 5.3928 7.6082 113.5782 55.2931 41.2143 173.6745 123 Y 4.9718 8.8129 119.7394 55.9455 42.6124 173.2175 124 P 2.9700 0.0000 0.0000 61.4938 32.2576 176.1903 125 G 2.3059 7.3886 108.3197 47.6198 0.0000 174.7133 126 S 4.1222 7.4714 115.0813 58.2346 63.4652 173.0788 127 I 4.5322 7.7476 123.2341 59.8587 41.1821 172.9907 128 E 4.6089 9.1463 127.4415 54.5289 32.5040 174.5425 129 V 4.9741 8.4795 119.9511 59.7727 34.2905 175.3210 130 R 4.8061 9.3127 123.5052 54.2311 34.8958 174.1255 131 W 5.4844 8.5853 119.9095 55.2628 32.3583 175.0053 132 F 5.2995 10.1442 121.7795 55.8670 42.7113 173.7278 133 R 4.4087 8.8694 124.2401 54.7280 31.4741 175.5560 134 N 3.8658 9.3976 126.3080 54.6712 36.2005 175.9023 135 G 4.0213 8.8608 103.8988 45.4694 0.0000 173.7139 136 Q 4.7072 7.7980 116.4245 53.6873 31.0026 174.2024 137 E 2.9187 8.6419 122.2772 55.8640 30.2329 175.8447 138 E 4.5409 8.1708 124.7108 54.8067 30.9314 175.9716 139 K 4.0633 8.5687 123.6035 58.6490 32.9774 177.6547 140 A 4.1740 7.5950 120.7503 52.7026 19.4141 178.5795 141 G 3.9185 8.6630 106.8700 45.7620 0.0000 173.9784 142 V 4.2319 7.1065 120.0163 62.7899 32.5467 175.8982 143 V 4.3879 8.6666 126.8650 61.6757 34.5930 173.6737 144 S 5.2550 8.7484 122.4214 57.1235 64.1188 173.6071 145 T 4.1098 8.5448 118.8124 62.7401 67.6605 176.0548 146 G 4.0437 8.2714 105.8016 45.0292 0.0000 172.7678 147 L 4.2261 8.2515 122.0196 55.1473 42.8730 176.0045 148 I 4.4318 9.0682 128.0511 59.6748 38.8314 174.3779 149 Q 3.7246 8.4169 128.8138 54.5575 29.7387 175.8105 150 N 4.0998 8.5983 124.7666 53.9223 38.8377 176.5572 151 G 3.8794 7.3466 107.2549 45.4262 0.0000 173.5567 152 D 4.9817 7.3510 117.8895 52.6963 39.8466 175.5140 153 W 3.4463 8.2547 115.9404 58.8737 26.2691 174.1342 154 T 5.1789 7.4575 111.9706 62.2648 72.9038 173.1295 155 F 5.2444 8.6695 121.7160 56.0943 43.8362 173.5058 156 Q 5.1643 8.6907 116.4413 56.2984 32.1333 173.1087 157 T 4.7308 8.7855 112.3842 61.5087 71.7804 171.7547 158 L 5.1858 8.3784 125.5738 52.9433 45.5467 175.6450 159 V 4.4173 8.6722 122.7851 61.4050 34.0323 174.7269 160 M 5.2674 8.9045 128.0415 54.5789 34.1403 176.0336 161 L 4.1828 7.6782 121.8112 53.0997 44.5995 174.5789 162 E 4.3058 8.3213 128.2587 56.3917 30.2444 176.0002 163 T 4.4707 8.2847 115.7576 60.3948 72.8860 172.9137 164 V 4.5207 8.1116 123.3207 59.8409 31.2507 172.2713 165 P 4.7262 0.0000 0.0000 62.4276 32.0924 176.8645 166 R 4.5117 9.9738 121.6387 54.4819 32.6284 174.5831 167 S 4.0150 8.5913 116.5262 59.4664 62.7284 173.8339 168 G 4.0718 8.8661 115.9400 45.3750 0.0000 173.6592 169 E 4.1395 8.2889 119.3414 56.3893 31.0330 176.6996 170 V 4.5878 8.1055 121.8298 61.4662 33.9707 174.0072 171 Y 5.1808 8.9609 127.3530 57.5129 39.1143 174.8277 172 T 5.1646 9.8101 122.9263 62.1247 71.3991 173.0243 173 C 4.4127 8.8713 126.5290 54.7981 42.1020 171.8568 174 Q 5.1069 9.3972 128.3467 54.2133 31.6552 174.1560 175 V 4.8066 8.8082 125.8704 61.1524 34.6884 173.6841 176 E 4.9935 9.1602 127.7999 54.8986 32.2502 174.6042 177 H 4.8651 8.6140 121.9312 54.3124 32.9053 172.3384 178 P 4.2449 0.0000 0.0000 65.7220 31.5633 177.7859 179 S 4.4063 8.2070 111.6158 60.0210 63.4391 174.1212 180 V 4.7251 8.0054 114.6646 59.4687 35.2096 175.4656 181 T 3.9839 8.8959 115.2202 64.2829 68.8202 174.4651 182 S 4.7680 7.6108 115.8376 54.6020 65.0996 171.8072 183 P 4.5179 0.0000 0.0000 63.5810 31.8401 175.0570 184 L 4.7571 8.9110 121.5885 53.5734 43.5601 175.7624 185 T 5.1064 8.3591 112.7666 59.9258 72.0392 173.5692 186 V 4.3923 8.3733 122.8470 61.6769 34.7214 173.6889 187 E 5.2446 9.0088 127.3128 54.8049 31.8111 175.1162 188 W 4.8529 9.5033 133.2252 55.8411 33.2762 174.5083 189 R 4.5086 7.7602 126.2892 54.3441 30.7271 176.2514 190 A 4.3299 8.6746 125.8351 52.1655 18.0483 176.9901 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 1 G 8.35 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.50 4.55 0.00 2.67 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 3 T 9.00 4.51 4.23 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 1.20 0.00 0.00 4 R 7.67 4.01 0.00 1.77 1.93 0.00 3.17 0.00 0.00 3.59 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 5 P 0.00 4.31 0.00 1.79 1.97 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 6 R 7.64 4.27 0.00 1.58 1.71 0.00 3.26 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 7 F 8.18 4.75 0.00 3.09 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 8 L 8.36 4.87 0.00 1.62 1.47 0.96 0.98 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 9 W 8.61 5.66 0.00 3.53 2.99 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 10 Q 8.45 4.58 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 11 L 8.32 4.82 0.00 1.54 1.49 0.53 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.69 4.56 0.00 1.58 1.60 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.28 7.81 13 F 9.07 5.18 0.00 3.07 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.55 4.63 0.00 2.07 1.91 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 2.29 2.32 0.00 15 C 8.85 5.09 0.00 2.80 2.45 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 16 H 9.03 4.60 0.00 3.00 2.93 0.00 5.56 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.45 5.44 0.00 2.89 3.06 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 18 F 8.87 4.80 0.00 2.89 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 19 N 9.61 4.14 0.00 2.93 2.85 0.00 0.00 7.15 7.97 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 20 G 7.67 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 0.00 0.00 0.00 21 T 8.19 4.35 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 0.46 0.00 0.00 22 E 7.48 3.90 0.00 2.30 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 2.33 2.26 0.00 23 R 8.20 4.76 0.00 1.83 1.96 0.00 2.27 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.80 0.00 24 V 8.32 4.95 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 0.55 0.00 0.00 1.07 0.00 0.00 25 R 8.90 4.69 0.00 1.95 1.82 0.00 3.25 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 26 L 9.32 5.22 0.00 1.86 1.65 1.28 0.54 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 27 L 9.29 5.16 0.00 1.74 1.55 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.59 5.08 0.00 2.23 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 0.00 2.24 1.75 0.00 29 R 9.02 5.09 0.00 1.81 2.01 0.00 2.77 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 30 C 9.05 4.86 0.00 2.94 2.36 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 31 I 7.54 4.41 1.68 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 0.93 0.88 0.93 0.00 0.00 32 Y 9.47 4.76 0.00 3.11 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 33 N 7.94 4.32 0.00 2.62 2.57 0.00 0.00 6.55 7.69 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 34 Q 7.84 4.44 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 35 E 7.85 4.54 0.00 2.08 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 2.42 2.33 0.00 36 E 8.85 4.42 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 37 S 9.22 4.80 0.00 4.09 4.20 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 38 V 7.58 4.81 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 1.40 0.00 0.00 1.15 0.00 0.00 39 R 8.62 5.22 0.00 1.96 2.16 0.00 2.76 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 40 F 9.81 4.66 0.00 1.83 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 41 D 7.70 5.08 0.00 2.57 2.25 0.00 0.00 0.00 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7.67 4.10 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 59 E 7.96 3.93 0.00 2.20 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 2.36 2.34 0.00 60 Y 8.01 4.38 0.00 2.83 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 61 W 8.45 4.13 0.00 2.90 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 0.00 0.00 0.00 62 N 8.52 4.81 0.00 2.91 3.00 0.00 0.00 7.05 8.36 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 63 S 7.51 4.78 0.00 4.04 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 0.00 64 Q 7.82 4.47 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 65 K 8.70 3.92 0.00 1.85 1.89 0.00 1.59 0.00 0.00 1.90 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.61 7.81 66 D 8.11 4.40 0.00 2.85 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 67 L 7.80 3.87 0.00 1.72 1.94 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.05 3.96 0.00 1.99 1.76 1.25 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.66 3.95 0.00 2.12 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 0.00 2.34 2.33 0.00 70 Q 7.85 3.94 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 71 R 8.06 3.68 0.00 1.70 0.80 0.00 2.83 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 72 R 8.20 4.09 0.00 2.01 2.04 0.00 3.37 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 73 A 8.03 4.32 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 74 A 7.73 4.18 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 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0.00 *111 H 8.00 4.62 0.00 3.16 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.51 5.02 0.00 2.91 3.33 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 9.11 4.77 0.00 2.68 2.52 0.00 0.00 7.07 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 0.00 114 L 8.33 4.15 0.00 1.66 1.41 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.91 4.47 0.00 0.84 1.09 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.39 4.48 1.20 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 0.65 0.00 0.00 0.80 0.00 0.00 117 C 8.79 4.91 0.00 2.60 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 0.00 118 S 9.00 4.93 0.00 4.09 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 0.00 119 V 8.94 4.74 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 0.59 0.00 0.00 0.80 0.00 0.00 120 S 8.86 5.36 0.00 3.99 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 0.00 121 G 8.86 4.23 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 0.00 122 F 7.61 5.39 0.00 2.99 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.81 4.97 0.00 3.45 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 0.00 124 P 0.00 2.97 0.00 1.62 1.45 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 125 G 7.39 2.31 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 0.00 0.00 0.00 0.00 126 S 7.47 4.12 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.75 4.53 1.85 0.00 0.00 0.64 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 0.08 0.93 0.00 0.00 128 E 9.15 4.61 0.00 1.99 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 129 V 8.48 4.97 1.90 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 0.65 0.00 0.00 0.86 0.00 0.00 130 R 9.31 4.81 0.00 2.04 1.80 0.00 3.29 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 131 W 8.59 5.48 0.00 3.24 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 0.00 132 F 10.14 5.30 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.87 4.41 0.00 2.13 1.89 0.00 3.43 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.00 134 N 9.40 3.87 0.00 2.91 2.90 0.00 0.00 7.10 7.18 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 0.00 135 G 8.86 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 0.00 136 Q 7.80 4.71 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 137 E 8.64 2.92 0.00 1.60 1.79 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 2.17 2.20 0.00 138 E 8.17 4.54 0.00 2.15 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 0.00 2.30 2.48 0.00 139 K 8.57 4.06 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.34 7.81 140 A 7.59 4.17 1.24 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 0.00 0.00 141 G 8.66 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 0.00 142 V 7.11 4.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.09 0.00 0.00 143 V 8.67 4.39 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 0.85 0.00 0.00 0.90 0.00 0.00 144 S 8.75 5.25 0.00 3.94 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 0.00 145 T 8.54 4.11 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 1.31 0.00 0.00 146 G 8.27 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 0.00 0.00 0.00 0.00 147 L 8.25 4.23 0.00 1.73 1.69 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 148 I 9.07 4.43 1.98 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 1.43 0.86 0.88 0.00 0.00 149 Q 8.42 3.72 0.00 1.90 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.98 0.00 0.00 0.00 0.00 0.00 1.95 1.31 0.00 150 N 8.60 4.10 0.00 2.87 2.76 0.00 0.00 7.15 7.38 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 0.00 151 G 7.35 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 0.00 152 D 7.35 4.98 0.00 2.80 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 W 8.25 3.45 0.00 3.35 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 0.00 154 T 7.46 5.18 4.62 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 1.16 0.00 0.00 155 F 8.67 5.24 0.00 1.55 2.42 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 0.00 156 Q 8.69 5.16 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 157 T 8.79 4.73 4.42 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 1.38 0.00 0.00 158 L 8.38 5.19 0.00 1.63 1.53 0.99 0.78 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 0.00 159 V 8.67 4.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.95 0.00 0.00 160 M 8.90 5.27 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.31 0.00 161 L 7.68 4.18 0.00 0.27 0.13 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.32 4.31 0.00 1.88 1.72 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 2.22 2.24 0.00 163 T 8.28 4.47 3.81 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 0.44 0.00 0.00 164 V 8.11 4.52 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 0.75 0.00 0.00 0.81 0.00 0.00 165 P 0.00 4.73 0.00 2.37 2.17 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 166 R 9.97 4.51 0.00 2.02 1.86 0.00 3.18 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 167 S 8.59 4.01 0.00 3.85 3.80 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 0.00 168 G 8.87 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 0.00 169 E 8.29 4.14 0.00 1.87 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 2.23 2.48 0.00 170 V 8.11 4.59 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 1.03 0.00 0.00 0.95 0.00 0.00 171 Y 8.96 5.18 0.00 3.30 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 0.00 172 T 9.81 5.16 4.40 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 1.19 0.00 0.00 173 C 8.87 4.41 0.00 1.43 2.47 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 0.00 174 Q 9.40 5.11 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 175 V 8.81 4.81 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 0.63 0.00 0.00 0.74 0.00 0.00 176 E 9.16 4.99 0.00 1.85 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 0.00 2.17 2.19 0.00 177 H 8.61 4.87 0.00 3.00 2.98 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.24 0.00 1.92 2.07 0.00 2.93 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 1.84 1.99 0.00 179 S 8.21 4.41 0.00 4.09 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 0.00 180 V 8.01 4.73 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 0.76 0.00 0.00 0.97 0.00 0.00 181 T 8.90 3.98 4.23 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 1.21 0.00 0.00 182 S 7.61 4.77 0.00 3.95 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 0.00 183 P 0.00 4.52 0.00 2.01 2.05 0.00 3.70 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 1.92 1.94 0.00 184 L 8.91 4.76 0.00 1.48 1.55 0.86 0.66 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 0.00 185 T 8.36 5.11 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 1.10 0.00 0.00 186 V 8.37 4.39 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 1.12 0.00 0.00 0.92 0.00 0.00 187 E 9.01 5.24 0.00 1.96 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 2.29 2.33 0.00 188 W 9.50 4.85 0.00 3.64 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 0.00 189 R 7.76 4.51 0.00 1.42 1.70 0.00 3.37 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 190 A 8.67 4.33 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 * Residues marked with a * may have inaccurate shift predictions.