NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5691 8.3649 120.1982 54.3256 42.5440 176.3703 5 V 3.9655 7.9742 121.0290 60.4762 29.5409 176.1323 6 A 3.8765 7.8331 121.5655 54.1810 19.7040 178.5019 7 L 4.1045 7.9031 118.5638 57.5273 42.2065 178.8078 8 K 2.5765 7.5837 119.5192 58.9343 32.0449 178.6534 9 R 3.9164 7.2838 118.0782 59.2631 29.9235 178.8558 10 K 3.8636 7.8495 118.8995 59.6086 32.1750 178.0687 11 Y 4.0280 7.8366 119.6026 61.1767 38.6065 177.8306 12 Y 4.0796 8.3696 116.6012 60.2976 37.9742 177.5345 13 E 4.3669 8.6943 118.8857 57.4714 30.7891 176.9978 14 E 4.4240 8.1019 117.1791 58.0574 30.8672 178.5654 15 V 3.6937 7.3950 118.7571 65.4315 31.7475 177.5918 16 R 3.6083 7.7590 118.9309 58.9844 29.7239 176.7337 17 P 4.3049 0.0000 0.0000 65.7303 31.2751 178.0706 18 E 4.0395 7.9890 118.0303 58.8175 29.3329 179.1066 19 L 4.1842 8.3137 119.7440 57.7741 41.7909 179.3331 20 I 4.0743 7.9476 119.8633 64.4168 36.8028 178.4849 21 R 3.7913 7.5431 118.3380 59.4026 30.0407 178.2760 22 R 3.7115 7.6696 117.0732 58.8150 30.1398 177.6232 23 F 4.6585 8.0205 115.0052 56.0581 40.3562 175.5019 24 G 3.6406 8.2655 106.4060 46.4408 0.0000 173.9778 25 Y 4.2684 7.5935 116.1984 57.7626 38.7197 176.8784 26 Q 4.1483 8.7345 123.7483 57.5660 29.7024 176.0461 27 N 4.5744 7.4826 114.6736 50.6081 41.1715 175.7468 28 V 3.6659 7.9965 121.6024 63.4971 31.6372 176.6700 29 W 4.7180 7.2736 116.0975 56.6376 28.5175 176.3961 30 E 4.2936 7.4062 118.2557 57.0374 29.7936 176.7388 31 V 2.3954 7.1514 119.4518 61.2511 31.9762 173.6390 32 P 4.5519 0.0000 0.0000 63.5778 31.8111 175.2544 33 R 4.5811 9.1192 117.3692 54.6307 33.7502 173.6110 34 L 4.2451 7.9895 119.6678 54.6951 41.5533 176.5891 35 E 4.3824 8.6708 125.4747 57.6630 30.9629 175.7008 36 K 4.3945 7.1230 115.6647 56.3915 35.7319 174.0526 37 V 4.7861 8.2799 120.4854 61.2142 34.7208 174.0255 38 V 4.6483 8.8008 128.4056 61.2862 33.7938 174.1465 39 I 4.6522 8.8104 128.9829 59.5337 39.4505 174.0944 40 N 5.2710 8.7620 125.7838 52.0284 40.9002 173.2135 41 Q 4.4944 8.7683 126.6818 54.3280 30.7873 176.3388 42 G 4.1359 8.3678 110.4171 45.9457 0.0000 172.3723 43 L 4.3784 8.4084 120.3192 54.8511 42.8129 175.1212 44 G 3.7733 9.0206 107.1173 46.1229 0.0000 173.3070 45 E 4.5756 6.7262 122.4110 56.9359 31.6668 178.9269 46 A 3.8634 7.9745 120.8592 54.3555 18.8179 178.5964 47 K 3.8253 7.5594 115.9319 57.5197 33.2413 176.1507 48 E 3.6739 8.5368 119.7466 55.5663 27.9426 172.3193 49 D 4.3448 7.1130 117.2840 55.3743 44.3624 175.2391 50 A 4.7953 8.2056 123.1413 50.6489 18.8687 176.9658 51 R 4.6630 8.5781 118.6004 58.2468 36.5775 178.0267 52 I 3.9721 8.4868 118.1209 62.7784 37.7242 177.5170 53 L 4.1112 8.0621 121.3485 56.7231 42.6879 177.6956 54 E 4.1321 7.9149 118.1949 58.2275 29.4613 177.5761 55 K 4.1274 7.7042 117.3635 58.2160 32.1660 179.0813 56 A 4.3068 8.2074 122.8155 54.1318 18.5020 179.4390 57 A 3.8774 7.6483 119.3856 55.4150 18.2427 179.5969 58 Q 4.1228 7.9726 116.9048 58.2387 28.5879 177.9012 59 E 3.9107 7.6011 119.6619 59.6188 29.8505 178.3840 60 L 3.9693 8.3257 120.2285 57.5558 42.1884 178.6323 61 A 4.4141 8.3141 122.7870 54.0647 18.0151 178.8719 62 L 4.1463 7.3772 117.4975 57.3864 42.4383 178.5694 63 I 3.8530 7.3422 119.7522 63.5585 37.0504 177.3746 64 T 4.4415 7.9782 108.8401 61.0596 69.9529 175.7580 65 G 4.0026 9.0990 109.1026 45.0150 0.0000 172.6075 66 Q 4.4513 7.7748 116.2002 53.6764 31.8148 174.0520 67 K 4.0664 8.4696 119.8737 55.9899 32.0973 174.8592 68 P 4.5469 0.0000 0.0000 62.6425 32.4503 175.5015 69 A 4.7336 8.7345 123.2324 50.1738 21.9516 175.8653 70 V 4.4768 8.3034 122.0590 62.0345 32.4347 175.3936 71 T 4.3694 8.9092 120.0275 61.2855 70.2973 174.1969 72 R 5.0328 8.4386 122.6827 54.0166 34.8377 174.2850 73 A 4.4012 8.4471 121.6065 51.0514 19.7734 177.2663 74 K 3.9630 8.6594 121.2821 56.7469 32.5953 177.1860 75 K 4.3094 8.4616 123.5012 55.8001 31.2646 177.4816 76 S 4.7320 7.8670 120.4008 56.8526 63.5335 174.9175 77 I 4.0022 7.4053 115.7479 61.6961 40.1039 176.2219 78 S 4.4791 8.8547 122.3397 59.5238 60.8521 175.4062 79 N 4.8327 9.6202 128.8381 53.8732 40.7577 173.6619 80 F 4.4309 8.1289 116.9146 55.2232 37.7210 172.3933 81 K 3.8929 8.1815 122.4191 56.9080 32.1367 177.0711 82 L 4.6554 7.7063 129.5268 53.5831 42.4686 176.5636 83 R 4.0652 7.9701 118.1699 55.7366 29.7789 177.5954 84 K 4.4177 7.8571 116.4240 54.7285 32.1529 171.2312 85 G 4.2807 8.0202 115.6322 44.8995 0.0000 171.3095 86 M 4.4790 8.0771 124.3490 52.6715 34.4601 173.1339 87 P 4.7790 0.0000 0.0000 63.6342 31.6577 176.0639 88 I 4.2609 8.8968 122.7034 60.7370 38.9745 175.4223 89 G 3.9640 6.4338 107.7402 46.4839 0.0000 171.5072 90 L 5.3998 8.0686 118.8619 53.0052 45.4326 176.2096 91 R 5.1607 9.1562 121.3938 54.9447 34.0829 173.9127 92 V 4.5738 8.7073 125.1414 61.4458 35.1517 174.0425 93 T 4.7988 8.5428 124.3935 62.0517 69.7817 173.7065 94 L 4.4866 8.9487 128.2227 53.6213 43.1526 176.5311 95 R 4.7439 8.1319 121.4261 54.5221 34.1492 177.0805 96 R 3.5973 8.6392 118.1364 57.2759 29.2308 176.6986 97 D 4.9717 9.1797 117.6246 59.1415 41.0111 180.9344 98 R 4.3468 7.9450 117.2426 56.0236 29.5909 178.9228 *100 W 5.0614 8.2503 118.4561 57.0884 31.2359 178.0197 101 I 3.8286 8.1319 118.9543 64.4479 36.3168 178.2432 102 F 4.3011 8.2163 121.6493 61.0384 39.1582 177.4966 103 L 3.8660 8.0407 118.3246 57.3668 41.4047 178.9238 104 E 3.9042 8.4599 119.6076 59.0975 29.6667 178.7953 105 K 3.8382 7.8079 119.2130 59.3241 32.3079 178.2201 106 L 3.5940 7.6345 121.0335 57.5797 41.6621 178.2292 107 L 4.3962 7.2476 116.0703 55.9007 41.3958 177.0978 108 N 4.7622 8.0093 115.8884 53.0966 39.0481 174.6564 109 V 4.1985 7.0460 118.5246 64.3313 35.0768 176.8747 110 A 4.0722 8.0938 120.9569 54.4739 18.6622 178.9084 111 L 3.6191 8.1330 116.3249 57.0684 41.7961 177.9162 112 P 4.1198 0.0000 0.0000 65.3071 31.3640 177.3501 113 R 4.1530 7.3101 114.2575 56.4868 29.8320 175.9360 114 I 4.2616 7.0564 119.5996 59.7693 38.0812 175.5836 115 R 4.3147 8.3410 123.8434 56.4928 31.1304 177.1739 116 D 4.6221 8.6098 119.6082 54.0522 38.7905 173.8930 117 F 3.9732 7.5356 119.8261 58.9427 39.3117 174.6364 118 R 3.9441 7.7435 128.8937 55.8446 30.8041 177.5590 119 G 3.3974 5.7745 104.2190 45.9107 0.0000 171.0935 120 L 4.7505 7.6831 119.4206 52.6970 43.2982 175.6199 121 N 4.9715 8.8144 121.1971 53.2883 39.2745 173.4433 122 P 4.8964 0.0000 0.0000 63.5327 31.7697 176.2101 123 N 4.9855 8.1295 115.8173 54.3561 40.1290 177.8212 124 S 4.3254 8.2414 113.5065 58.4497 62.0978 173.1127 125 F 5.0527 8.9626 121.3406 56.2248 39.4692 176.1048 126 D 4.4754 8.6391 124.7623 54.2446 39.2067 177.3659 127 G 4.0256 8.5352 109.1796 45.6059 0.0000 174.4392 128 R 4.4746 8.9452 117.1406 55.9200 30.8772 176.1967 129 G 4.1105 8.7207 105.2239 46.4889 0.0000 173.1579 130 N 5.3850 8.3851 115.5737 51.2385 42.6764 172.6740 131 Y 4.7978 8.7516 121.0738 55.8456 42.0978 173.9917 132 N 6.0110 7.6471 122.1496 50.4546 42.1981 173.6692 133 L 4.5906 8.2306 120.6904 54.4698 44.3418 174.3745 134 G 4.2567 8.6083 106.9707 44.7440 0.0000 173.0074 135 L 4.2272 8.6393 126.3374 53.4699 40.6498 176.7510 136 R 3.7425 8.8238 120.6683 58.8143 30.5237 176.6438 137 E 4.3449 8.1165 119.2989 56.0607 31.2750 177.3576 138 Q 4.3070 8.2369 122.6128 55.1505 30.9220 176.0044 139 L 4.1800 9.0133 123.1548 55.6267 40.7940 175.0054 140 I 4.0633 7.6502 109.2737 60.2615 38.4556 174.6286 141 F 4.9469 7.7731 120.7133 55.0897 40.1536 173.8629 142 P 4.3075 0.0000 0.0000 65.8636 31.5011 177.9227 143 E 4.0101 8.4386 116.2781 59.3670 29.4240 176.5961 144 I 3.6326 7.2144 121.1007 61.6932 36.7363 175.9095 145 T 4.1771 8.1826 119.9548 61.4671 68.0016 173.4006 146 Y 4.2487 8.3835 122.7642 57.3327 39.3987 174.3831 147 D 3.8887 8.0319 117.4059 53.9905 38.7020 173.5699 148 M 5.1980 7.0786 128.0432 56.8427 35.1853 176.2440 149 V 3.8157 7.3547 118.6872 65.6484 32.1476 177.0923 150 D 4.9675 7.9626 117.1870 54.8614 41.1231 178.0385 151 A 4.2251 8.0868 124.1636 54.0081 19.3866 178.2570 152 L 5.0211 7.7097 113.2249 51.9738 45.5221 177.6448 153 R 4.5991 8.4893 126.5981 56.3432 30.7354 177.1823 154 G 4.1472 8.6457 105.3721 45.7892 0.0000 172.1725 *156 D 4.6658 8.5964 124.3979 54.3973 42.6566 174.4684 157 I 4.9009 9.0537 125.0452 59.5887 39.8641 175.0164 158 A 5.0312 8.7556 127.5438 50.3369 21.7761 175.5703 159 V 4.2653 9.2526 124.3201 62.3624 32.5022 174.7074 160 V 4.7082 8.5739 129.5893 62.0910 32.7520 174.9867 161 T 5.2228 8.8191 117.5576 59.9334 71.8258 173.8110 162 T 4.3939 8.7768 110.5012 61.8367 69.2053 175.1711 163 A 4.1235 8.1927 127.6663 52.3931 18.8531 178.7110 164 E 4.1258 8.7379 122.5212 58.2875 30.2393 177.1243 165 T 4.7372 7.3228 108.0697 59.1170 73.3777 174.3387 166 D 4.2690 8.4080 120.4993 57.0536 40.7629 178.7878 167 E 3.8310 7.8969 118.8179 59.5204 29.5098 179.0426 168 E 3.6759 7.5488 116.7234 59.2264 29.4021 179.3205 169 A 4.0095 7.9018 120.7930 55.1630 18.4736 179.6953 170 R 3.6179 8.2327 117.4365 59.2753 30.0204 178.4453 171 A 4.0069 8.1027 120.6240 55.2155 18.4163 178.9591 172 L 3.9977 8.1985 118.7745 58.5788 42.2569 179.0823 173 L 3.6217 8.2002 118.6033 58.0197 41.4362 179.6258 174 E 4.3320 8.6289 117.2473 59.4209 29.4512 179.0462 175 L 4.2967 8.1319 118.0706 57.0701 41.8686 178.9105 176 L 4.4420 7.8295 118.7442 56.4386 41.6018 177.2930 177 G 4.2992 7.6898 107.8504 45.7202 0.0000 173.6102 178 F 4.1705 8.6183 119.0327 56.1768 39.7173 174.9510 179 P 4.6696 0.0000 0.0000 62.0112 30.1315 174.1877 180 F 4.7313 8.1624 125.5619 58.1845 39.6104 174.9253 181 R 3.8682 9.8768 126.4185 59.1634 29.9853 176.6280 182 K 4.2729 8.1363 121.1242 56.9494 32.1213 175.5756 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 4 D 8.36 4.57 0.00 2.65 2.66 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 5 V 7.97 3.97 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 0.88 0.00 0.00 0.91 0.00 0.00 6 A 7.83 3.88 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 7 L 7.90 4.10 0.00 1.92 1.92 1.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.58 2.58 0.00 0.79 1.41 0.00 1.65 0.00 0.00 1.35 0.00 0.00 2.58 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.34 7.81 9 R 7.28 3.92 0.00 1.83 1.96 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 10 K 7.85 3.86 0.00 1.84 2.08 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.73 7.81 11 Y 7.84 4.03 0.00 3.25 2.95 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 12 Y 8.37 4.08 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.69 4.37 0.00 2.01 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 2.29 2.43 0.00 14 E 8.10 4.42 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 15 V 7.39 3.69 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 1.37 0.00 0.00 1.13 0.00 0.00 16 R 7.76 3.61 0.00 1.20 1.67 0.00 3.14 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 17 P 0.00 4.30 0.00 2.27 2.26 0.00 3.50 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 2.20 2.16 0.00 18 E 7.99 4.04 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 19 L 8.31 4.18 0.00 2.04 2.10 1.09 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.95 4.07 2.05 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 1.56 0.86 1.00 0.00 0.00 21 R 7.54 3.79 0.00 1.72 2.15 0.00 3.22 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 22 R 7.67 3.71 0.00 1.60 1.39 0.00 2.91 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 23 F 8.02 4.66 0.00 2.13 2.40 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 24 G 8.27 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.59 4.27 0.00 2.95 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 26 Q 8.73 4.15 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 27 N 7.48 4.57 0.00 1.90 1.42 0.00 0.00 6.92 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 28 V 8.00 3.67 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 0.93 0.00 0.00 0.96 0.00 0.00 29 W 7.27 4.72 0.00 3.40 3.41 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 30 E 7.41 4.29 0.00 1.83 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 2.22 1.69 0.00 31 V 7.15 2.40 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 0.74 0.00 0.00 0.73 0.00 0.00 32 P 0.00 4.55 0.00 2.13 2.03 0.00 3.47 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 33 R 9.12 4.58 0.00 1.57 1.93 0.00 2.80 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 1.58 0.00 34 L 7.99 4.25 0.00 0.99 1.23 0.79 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.67 4.38 0.00 1.93 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 2.22 2.22 0.00 36 K 7.12 4.39 0.00 1.82 1.78 0.00 1.45 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 1.26 7.81 37 V 8.28 4.79 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 1.00 0.00 0.00 0.94 0.00 0.00 38 V 8.80 4.65 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 0.86 0.00 0.00 0.89 0.00 0.00 39 I 8.81 4.65 1.67 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.42 0.80 0.00 0.00 40 N 8.76 5.27 0.00 2.67 2.67 0.00 0.00 7.21 7.16 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 41 Q 8.77 4.49 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 42 G 8.37 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 0.00 0.00 0.00 43 L 8.41 4.38 0.00 1.53 1.59 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.02 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 45 E 6.73 4.58 0.00 1.90 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 2.25 2.49 0.00 46 A 7.97 3.86 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 47 K 7.56 3.83 0.00 1.79 1.86 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.38 7.81 48 E 8.54 3.67 0.00 2.19 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 2.19 2.26 0.00 49 D 7.11 4.34 0.00 2.62 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.21 4.80 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 51 R 8.58 4.66 0.00 1.91 1.88 0.00 3.11 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 52 I 8.49 3.97 1.99 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 1.34 0.83 0.89 0.00 0.00 53 L 8.06 4.11 0.00 2.02 1.64 0.90 0.91 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 54 E 7.91 4.13 0.00 2.10 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 2.32 2.43 0.00 55 K 7.70 4.13 0.00 1.82 1.81 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.70 7.81 56 A 8.21 4.31 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 57 A 7.65 3.88 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 58 Q 7.97 4.12 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 59 E 7.60 3.91 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 60 L 8.33 3.97 0.00 1.69 1.57 0.76 0.97 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 61 A 8.31 4.41 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 62 L 7.38 4.15 0.00 1.71 1.82 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.34 3.85 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 0.33 0.00 0.00 64 T 7.98 4.44 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 0.97 0.00 0.00 65 G 9.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.77 4.45 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.92 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 67 K 8.47 4.07 0.00 1.72 1.77 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 68 P 0.00 4.55 0.00 1.93 1.92 0.00 3.64 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 2.18 2.03 0.00 69 A 8.73 4.73 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 70 V 8.30 4.48 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 0.82 0.00 0.00 0.91 0.00 0.00 71 T 8.91 4.37 4.22 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 1.19 0.00 0.00 72 R 8.44 5.03 0.00 1.66 1.92 0.00 3.19 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 73 A 8.45 4.40 1.25 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 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0.00 1.64 1.57 0.94 1.02 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 83 R 7.97 4.07 0.00 1.96 2.00 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 84 K 7.86 4.42 0.00 1.69 1.71 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.40 7.81 85 G 8.02 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 86 M 8.08 4.48 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 87 P 0.00 4.78 0.00 2.16 2.05 0.00 3.72 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 1.98 1.98 0.00 88 I 8.90 4.26 1.86 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 1.15 0.78 0.90 0.00 0.00 89 G 6.43 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.07 5.40 0.00 1.52 1.49 0.88 1.12 0.00 0.00 0.00 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0.00 0.00 1.76 1.70 0.00 *100 W 8.25 5.06 0.00 3.70 3.29 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 0.00 101 I 8.13 3.83 2.01 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 1.52 1.30 1.05 0.00 0.00 102 F 8.22 4.30 0.00 3.20 3.10 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 0.00 103 L 8.04 3.87 0.00 2.07 1.84 1.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.46 3.90 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 105 K 7.81 3.84 0.00 1.89 1.86 0.00 1.90 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 106 L 7.63 3.59 0.00 1.13 1.43 0.76 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.25 4.40 0.00 1.52 1.36 0.86 0.90 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 0.00 108 N 8.01 4.76 0.00 2.78 2.82 0.00 0.00 6.64 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.05 4.20 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 0.92 0.00 0.00 0.89 0.00 0.00 110 A 8.09 4.07 0.47 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 0.00 111 L 8.13 3.62 0.00 1.26 0.99 0.63 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.12 0.00 1.90 2.01 0.00 3.53 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 113 R 7.31 4.15 0.00 1.62 1.84 0.00 3.06 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 114 I 7.06 4.26 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 1.02 0.00 0.00 115 R 8.34 4.31 0.00 1.88 1.84 0.00 3.22 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 116 D 8.61 4.62 0.00 2.88 2.86 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 0.00 125 F 8.96 5.05 0.00 3.02 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 0.00 126 D 8.64 4.48 0.00 2.81 2.78 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 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 0.00 128 R 8.95 4.47 0.00 1.87 1.92 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 129 G 8.72 4.11 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 0.00 0.00 0.00 130 N 8.39 5.39 0.00 3.04 2.81 0.00 0.00 6.42 7.48 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 0.00 131 Y 8.75 4.80 0.00 2.62 2.65 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 0.00 132 N 7.65 6.01 0.00 2.37 2.50 0.00 0.00 6.74 7.22 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 0.00 133 L 8.23 4.59 0.00 1.76 1.79 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.64 4.23 0.00 1.65 1.71 1.01 0.99 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 0.00 136 R 8.82 3.74 0.00 1.83 1.84 0.00 3.22 0.00 0.00 3.24 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 137 E 8.12 4.34 0.00 1.97 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 0.00 2.31 2.28 0.00 138 Q 8.24 4.31 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.91 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 139 L 9.01 4.18 0.00 1.65 2.10 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.65 4.06 1.62 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 1.28 -0.16 0.79 0.00 0.00 141 F 7.77 4.95 0.00 3.19 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 0.00 142 P 0.00 4.31 0.00 2.09 2.17 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 143 E 8.44 4.01 0.00 1.97 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 2.34 2.43 0.00 144 I 7.21 3.63 1.95 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 1.31 0.54 0.95 0.00 0.00 145 T 8.18 4.18 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 1.19 0.00 0.00 146 Y 8.38 4.25 0.00 3.14 2.95 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 0.00 147 D 8.03 3.89 0.00 1.58 1.88 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 0.00 148 M 7.08 5.20 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 149 V 7.35 3.82 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 0.97 0.00 0.00 1.02 0.00 0.00 150 D 7.96 4.97 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.09 4.23 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 0.00 152 L 7.71 5.02 0.00 1.49 1.78 1.12 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 0.00 153 R 8.49 4.60 0.00 1.86 1.39 0.00 3.22 0.00 0.00 3.23 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 154 G 8.65 4.15 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 0.00 *156 D 8.60 4.67 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 9.05 4.90 2.00 0.00 0.00 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 1.28 1.08 1.10 0.00 0.00 158 A 8.76 5.03 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 0.00 159 V 9.25 4.27 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 0.93 0.00 0.00 1.19 0.00 0.00 160 V 8.57 4.71 2.18 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 0.93 0.00 0.00 0.92 0.00 0.00 161 T 8.82 5.22 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 1.27 0.00 0.00 162 T 8.78 4.39 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 0.00 163 A 8.19 4.12 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 0.00 164 E 8.74 4.13 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 165 T 7.32 4.74 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 1.16 0.00 0.00 166 D 8.41 4.27 0.00 2.59 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 0.00 0.00 0.00 0.00 167 E 7.90 3.83 0.00 1.92 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 2.36 2.38 0.00 168 E 7.55 3.68 0.00 1.89 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 1.47 1.92 0.00 169 A 7.90 4.01 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 8.23 3.62 0.00 1.11 1.73 0.00 2.82 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.04 0.00 171 A 8.10 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.20 4.00 0.00 1.96 2.00 1.16 0.66 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 0.00 173 L 8.20 3.62 0.00 1.83 1.32 0.73 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.63 4.33 0.00 1.98 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 2.70 2.58 0.00 175 L 8.13 4.30 0.00 1.89 1.79 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.83 4.44 0.00 2.07 2.08 1.25 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 177 G 7.69 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 0.00 0.00 0.00 178 F 8.62 4.17 0.00 2.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.67 0.00 2.26 2.25 0.00 3.42 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 180 F 8.16 4.73 0.00 3.06 3.10 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 0.00 181 R 9.88 3.87 0.00 1.80 2.14 0.00 3.39 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 182 K 8.14 4.27 0.00 2.01 1.83 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.56 7.81 * Residues marked with a * may have inaccurate shift predictions.