NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Q 4.2619 8.3449 121.7081 55.4785 30.2592 175.5144 12 D 4.3254 8.4797 125.3913 53.3216 42.8286 175.6628 13 L 3.9068 8.3960 124.4081 58.4161 42.5226 179.2393 14 S 4.0965 8.8001 114.5120 61.7563 62.7606 176.4878 15 E 4.0003 8.1240 121.4340 58.7785 29.2244 178.9338 16 A 3.9690 8.0646 121.0339 55.0179 18.4388 179.7496 17 L 3.8134 8.2823 117.9366 57.6530 41.5619 179.5273 18 K 4.0389 7.9959 119.5673 59.7762 31.9436 178.7000 19 E 3.9668 8.1424 117.2514 59.3657 29.4366 178.9718 20 A 4.1550 8.2647 120.4810 54.2215 18.7588 178.6794 21 T 4.1960 7.8028 106.2974 61.4489 68.8984 176.5306 22 K 3.9057 7.7992 122.9369 60.1743 32.3301 179.0165 23 E 3.9676 7.9479 119.4648 59.2236 29.6392 179.3889 24 V 3.6680 7.5352 118.3853 64.6480 31.4471 177.6965 25 H 4.0550 7.9668 119.4004 59.1805 29.5702 177.1719 26 I 3.7929 7.4562 120.6092 64.6125 36.7151 178.6954 27 R 3.9947 7.6186 117.3630 58.9000 30.1373 178.8240 28 A 4.2730 8.2862 120.9938 55.2944 18.3721 179.3887 29 E 4.0048 8.6217 116.4502 58.4543 29.5968 177.6881 30 N 4.9175 7.4760 114.7856 52.1618 39.7536 175.5915 31 S 4.4020 7.4399 116.7595 57.9437 65.1685 174.2875 32 E 3.9134 8.9133 124.2109 59.7938 29.2810 179.1534 33 F 4.1486 8.2976 119.8056 61.7305 39.5565 176.8873 34 M 3.9513 7.7867 117.5375 58.0299 31.5387 178.6992 35 R 3.8424 8.6144 119.3178 59.5903 30.2498 178.3937 36 N 4.2825 8.2255 116.2532 56.0526 38.4562 177.0647 37 F 3.7656 7.9881 122.0467 61.5635 39.3124 177.3186 38 Q 4.2240 8.5654 115.9933 58.3999 28.5230 178.3500 39 K 4.2559 7.6205 118.1827 56.9282 32.3396 177.8836 40 G 3.8863 8.2697 107.5685 45.6518 0.0000 173.3098 41 Q 4.3892 7.8336 117.1512 55.5302 28.8394 175.8703 42 V 3.7385 7.2771 117.9778 60.6411 32.6346 175.9235 43 S 4.6700 7.9866 117.7147 56.0247 66.8060 175.0123 44 R 3.6718 8.3411 121.1499 59.5695 29.7505 177.7323 45 E 3.9769 8.2138 118.4546 59.3878 29.6788 178.9426 46 G 3.7440 7.7386 104.3707 47.8164 0.0000 175.4276 47 F 4.2591 8.5469 123.6701 60.9600 39.3561 177.3580 48 K 3.6478 8.1573 118.4426 59.1656 31.7924 179.2941 49 L 4.0675 7.8413 119.2292 57.8280 41.5247 180.0301 50 V 3.5812 7.7240 119.0414 65.1879 31.4496 178.3694 51 M 3.6604 7.9504 119.3854 57.6534 31.4891 178.6378 52 A 4.0094 8.1441 121.1944 55.1172 18.5484 179.9081 53 S 4.2110 8.0665 113.7588 61.7650 62.9261 176.9069 54 L 3.9648 8.1423 121.9394 57.5175 41.2183 178.8496 55 Y 3.9867 7.7501 119.7902 61.0445 38.7071 178.0226 56 H 3.8188 7.8198 117.0033 58.6545 28.7134 177.8835 57 I 3.2957 7.6471 121.4786 64.6773 36.8627 178.2890 58 Y 3.7158 8.4444 117.5895 60.8772 37.6634 178.6538 59 T 3.7350 7.6273 116.8170 66.4694 68.5376 176.5314 60 A 3.9015 7.7513 122.6773 54.8441 18.3724 179.3873 61 L 3.7294 7.8356 118.9822 58.4937 42.2320 179.1706 62 E 4.0863 8.5178 118.3263 58.7380 29.3481 178.9599 63 E 3.9768 8.0790 119.9335 59.3042 29.4978 178.5964 64 E 4.0320 8.1720 118.5397 59.1053 29.2444 179.3958 65 I 3.4545 7.5574 119.4611 64.2824 37.3504 177.9210 66 E 4.1798 8.3009 119.5031 59.4462 29.0684 179.3800 67 R 3.9288 7.8511 117.7531 58.5858 30.3210 177.3905 68 N 4.9018 7.6157 114.3848 52.6992 38.8872 176.7677 69 K 3.8095 7.5967 122.9769 59.6236 32.4599 177.8280 70 Q 4.1682 7.7237 115.6588 55.9204 29.4852 174.9416 71 N 4.5563 7.9784 119.0711 52.2401 39.4523 173.8179 72 P 4.3509 0.0000 0.0000 65.7631 31.5581 178.2596 73 V 3.8945 7.9338 109.3984 62.7875 31.9358 176.0448 74 Y 4.4700 7.7425 117.8306 58.7638 42.0190 177.0777 75 A 4.0650 8.9190 123.2335 54.8578 18.5554 177.7685 76 P 4.0793 0.0000 0.0000 64.9723 31.4223 177.1528 77 L 4.2948 7.5917 116.6574 54.3160 41.5089 176.3119 78 Y 4.5530 7.4395 121.5285 57.2273 37.9916 175.4531 79 F 4.8602 8.1474 128.1629 54.9392 39.7324 174.3266 80 P 3.3638 0.0000 0.0000 65.5610 31.7813 179.1175 81 E 3.8668 8.0797 118.4251 58.7925 29.7434 177.5873 82 E 4.0434 8.1798 116.5180 58.3374 29.9270 177.3568 83 L 4.5098 7.7619 116.8870 55.9795 43.3156 177.2137 84 H 4.5529 7.5615 114.7945 57.0644 29.1370 175.7982 85 R 4.3426 9.9756 121.5783 55.9321 30.9674 178.4010 86 R 3.9190 8.4504 119.5968 59.6098 29.9985 177.9958 87 A 4.0057 8.0889 119.5144 55.1272 18.3998 179.2533 88 A 3.8614 7.8694 118.6585 55.4086 18.4972 179.7445 89 L 3.9308 8.3570 117.8594 57.9185 41.7335 179.6535 90 E 3.2312 8.4050 118.7913 59.0609 29.3442 179.4418 91 Q 3.9146 7.6902 117.8968 59.0247 28.7196 178.3864 92 D 4.4415 8.1338 119.9411 57.5847 40.8496 178.7644 93 M 4.0807 8.0466 119.4978 58.2392 31.7317 178.6816 94 A 4.5523 7.1509 121.7751 54.3365 18.2550 179.5731 95 F 3.8442 7.7686 118.4601 61.3634 39.6173 177.1516 96 W 4.3941 8.4845 117.1599 58.6231 29.1633 177.2957 97 Y 4.6604 8.9347 114.3167 57.2599 38.9462 176.1880 98 G 3.9752 8.2921 107.5236 43.7676 0.0000 172.2227 99 P 4.3429 0.0000 0.0000 66.1810 30.9974 177.9210 *100 H 4.8621 7.9407 114.4941 53.5603 28.8236 179.1591 101 W 4.4269 8.3268 120.7693 60.1833 28.4343 177.9468 102 Q 3.1124 7.0188 117.4699 58.3516 27.9246 177.4573 103 E 4.3563 7.4806 110.6843 55.9281 29.9545 176.0426 104 A 4.5427 7.7551 123.6304 53.5688 20.5809 178.4631 105 I 3.3018 7.2641 108.3646 59.9676 38.1510 174.1323 106 P 4.6678 0.0000 0.0000 62.8585 32.3133 175.8182 107 Y 4.9362 8.0461 119.5482 54.8925 38.9628 174.5051 108 T 4.0935 7.9362 115.0480 60.3489 71.2966 173.2576 109 P 4.0195 0.0000 0.0000 65.8322 31.3752 178.9180 110 A 4.0201 8.5606 119.7551 55.2451 18.1493 179.9271 111 T 3.8484 7.5703 114.1985 66.9375 68.4761 176.9909 112 Q 3.8476 7.9048 121.5927 58.4472 28.5832 178.4117 113 H 4.1810 8.2787 119.2976 59.2943 29.9175 176.6534 114 Y 3.9330 7.9427 121.2546 60.8769 38.7038 178.1313 115 V 3.5130 8.0961 119.3256 65.7934 31.5340 177.7802 116 K 3.9423 8.3008 119.5880 59.6848 32.0147 178.7807 117 R 4.0782 7.9800 118.8859 59.2698 29.8485 178.3311 118 L 3.8147 7.9995 118.8638 58.2912 41.6226 179.3569 119 H 4.5313 8.1363 117.1738 58.1042 28.4678 177.8632 120 E 3.9686 8.1020 120.7604 59.2518 29.3127 179.4936 121 V 3.7524 8.1761 118.6969 66.0951 31.4664 178.3549 122 G 4.2191 7.6760 105.8342 47.0078 0.0000 175.1984 123 G 3.8654 8.1773 106.4843 46.0593 0.0000 175.1792 124 T 4.4625 8.1427 116.0120 63.4692 71.8342 174.0648 125 H 5.1683 7.9926 117.0533 53.1734 29.5711 172.9447 126 P 4.4571 0.0000 0.0000 66.1610 30.9589 177.4453 127 E 4.1739 8.2742 115.3533 58.2133 29.8650 177.7250 128 L 4.5547 8.1897 119.5939 54.7650 42.3277 177.7588 129 L 4.0858 8.0358 122.2386 58.1632 41.8823 178.9022 130 V 4.0128 8.2872 118.4808 65.1190 31.0132 177.9578 131 A 4.1486 8.1900 121.1133 55.5676 18.1538 179.3724 132 H 4.2568 8.3815 113.8500 58.6077 28.8865 177.8234 133 A 4.0540 8.3365 122.7660 55.1722 18.4226 178.8308 134 Y 4.2218 8.7129 118.5025 61.4165 37.7903 178.5490 135 T 3.4383 7.9944 116.3600 66.5969 68.4763 176.7225 136 R 3.7464 7.5568 119.3325 59.2380 30.3949 178.4850 137 Y 4.5181 7.6258 116.2275 61.4586 37.6425 179.0723 138 L 4.0350 7.7653 119.2778 57.4531 41.5330 179.9051 139 G 3.5608 7.5055 106.3079 47.8152 0.0000 175.4907 140 D 4.5850 8.4239 121.4508 56.9520 40.6491 177.9886 141 L 4.3219 7.4470 116.0979 53.3748 42.1928 176.6897 142 S 4.4117 7.9191 113.7125 58.4504 64.0402 176.3205 143 G 3.8220 9.4210 118.4333 48.2944 0.0000 174.8979 144 G 4.0067 8.3446 109.4581 47.4854 0.0000 175.8201 145 Q 4.1034 8.2365 120.1742 58.5414 28.6566 178.9308 146 V 3.5819 7.5466 119.1218 65.8568 31.7329 177.9033 147 L 3.6780 7.9547 118.9593 57.3400 41.3297 179.3003 148 K 3.3411 7.7311 119.5664 59.3556 32.0330 178.9402 149 K 3.9429 7.6356 118.6694 59.5590 31.9225 179.4613 150 I 3.7069 7.8046 119.8350 64.2789 36.9903 178.3336 151 A 3.8176 8.5877 122.0175 55.1635 18.1350 179.6938 152 Q 3.8911 8.1116 116.5434 58.8864 28.3623 179.0702 153 K 3.8664 7.8753 120.0427 59.3484 32.0962 178.7821 154 A 3.8265 8.1043 120.0871 55.0086 18.4250 178.6862 155 M 4.2716 7.7989 113.1446 53.8351 33.1555 175.9091 156 A 3.7356 7.3276 120.4292 53.0746 16.5733 178.0607 157 L 4.5089 7.7078 120.4737 53.2264 43.4878 176.1962 158 P 4.4013 0.0000 0.0000 62.6211 31.8524 177.8029 159 S 4.2572 8.5480 117.5355 61.0469 62.8966 175.7274 160 S 4.1592 7.8759 113.7383 59.3826 63.0360 175.0624 161 G 3.9374 8.3536 110.9281 45.1622 0.0000 173.5723 162 E 3.7697 7.6332 118.8000 57.9724 29.6830 177.5461 163 G 3.2638 8.2180 111.0691 45.1916 0.0000 173.6350 164 L 5.2260 7.8109 118.9729 54.3640 43.2873 178.4788 165 A 3.9578 8.6032 124.8601 55.2388 18.5574 180.4866 166 F 3.7260 8.7135 117.7123 61.2385 39.2921 175.9114 167 F 4.4184 7.9981 115.6484 57.7565 39.0011 175.1974 168 T 4.6082 7.3468 118.5942 61.8276 70.1012 174.8577 169 F 4.5288 8.4078 125.4909 54.3619 38.9283 173.9308 170 P 4.3447 0.0000 0.0000 64.8046 31.4602 178.1602 171 S 4.4694 7.9104 113.2631 58.2783 63.1824 173.6116 172 I 4.3123 7.4626 121.9267 59.3721 38.3856 175.2041 173 D 4.3816 8.7594 126.5523 56.4467 41.0715 176.7032 174 N 4.7984 7.7936 117.1280 50.1273 40.8293 172.2756 175 P 4.1703 0.0000 0.0000 66.1498 31.0979 178.3629 176 T 3.8989 8.0696 117.3025 67.0414 68.4368 177.2338 177 K 4.0277 8.6448 125.8422 59.6452 31.7544 180.7446 178 F 4.1197 8.4759 122.2848 61.0498 39.2490 177.3319 179 K 3.9774 8.4143 118.3860 59.6706 31.8504 179.3400 180 Q 4.0211 7.8711 118.3544 58.7334 28.4978 178.5482 181 L 3.8555 7.6765 121.5095 58.0940 41.9994 178.4223 182 Y 3.6413 7.8891 119.8536 60.6196 38.5067 178.1417 183 R 3.9995 8.2727 117.9383 59.2586 30.6169 178.5653 184 A 4.1011 8.0299 120.4781 55.2540 18.3754 179.7121 185 R 3.8090 8.1817 117.4015 59.7254 29.9639 178.6144 186 M 3.9785 8.0759 118.7878 58.1236 31.6953 177.5605 187 N 4.7011 7.7169 113.6235 54.0997 38.8893 175.5413 188 T 4.3799 7.5358 110.1171 61.3150 69.9009 175.2247 189 L 4.0683 7.2514 123.0410 54.1858 42.1801 176.4610 190 E 3.9346 8.6927 122.8735 56.7622 29.8423 175.8360 191 M 4.7773 8.5413 125.4903 53.4473 35.1435 174.7226 192 T 4.7749 8.0410 114.6511 58.5956 73.6411 173.0566 193 P 4.2275 0.0000 0.0000 65.6308 31.3376 178.5083 194 E 3.9227 8.1158 117.5400 59.4046 29.5968 178.9707 195 V 3.5883 7.7232 118.1195 65.7958 31.6590 177.7942 196 K 3.8882 8.3888 119.8236 59.7839 32.1077 178.2350 197 H 4.1217 8.3371 118.4051 59.4526 29.7628 177.5387 198 R 3.9767 8.0143 119.8126 59.1278 29.8493 179.2359 199 V 3.6494 8.2488 118.8723 66.1924 31.5455 178.2686 200 T 3.9605 7.9519 109.5229 64.5048 68.6017 176.3847 201 E 3.9314 8.0843 122.2327 59.1901 29.6691 178.4113 202 E 3.9748 8.6808 119.5581 59.0280 29.6071 178.6318 203 A 4.1360 8.1365 121.1772 55.0965 18.4637 179.7463 204 K 4.0621 8.0600 116.6432 59.9394 32.0266 179.7598 205 T 3.8738 7.9511 115.8951 66.4236 68.3948 176.5586 206 A 3.7343 8.2855 123.1483 55.1811 18.3389 179.7076 207 F 3.8723 8.5145 116.3351 60.5539 38.9199 177.7006 208 L 3.9960 8.0276 120.0593 58.0877 41.9994 178.9987 209 L 3.7963 7.9185 119.1572 57.5780 41.3111 179.3403 210 N 4.0770 7.7057 115.9930 56.1618 38.4236 177.4735 211 I 3.9440 7.8959 121.2876 64.6870 37.2418 178.4222 212 E 4.1044 8.5566 119.6977 59.0069 29.1011 179.2764 213 L 3.8091 7.4880 120.1946 58.1851 42.1371 179.0286 214 F 4.2645 7.7029 117.7408 60.6904 38.9272 177.5580 215 E 4.0652 8.6579 118.5562 59.2042 29.2057 179.0943 216 E 3.8917 8.2179 119.3717 59.3338 29.8114 178.8082 217 L 3.9156 8.0915 119.3874 57.8359 41.6201 179.2924 218 Q 4.1566 8.3430 119.3275 59.2548 28.7725 178.2990 219 A 4.1389 7.6867 121.9392 54.6411 18.4898 179.3008 220 L 4.1064 7.8310 116.6710 57.9392 41.7411 179.4507 221 L 4.2150 8.0479 118.4592 57.1604 41.9880 177.7326 222 T 4.3231 8.0849 114.3410 61.9140 68.9108 174.4260 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 11 Q 8.34 4.26 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 12 D 8.48 4.33 0.00 2.79 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 13 L 8.40 3.91 0.00 1.71 1.75 0.86 0.81 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 14 S 8.80 4.10 0.00 4.08 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 15 E 8.12 4.00 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 2.40 2.37 0.00 16 A 8.06 3.97 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 17 L 8.28 3.81 0.00 1.46 1.09 0.25 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.00 4.04 0.00 1.92 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 19 E 8.14 3.97 0.00 2.02 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 2.52 2.46 0.00 20 A 8.26 4.15 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 21 T 7.80 4.20 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 1.42 0.00 0.00 22 K 7.80 3.91 0.00 1.95 2.23 0.00 1.29 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.45 7.81 23 E 7.95 3.97 0.00 1.96 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 2.36 2.28 0.00 24 V 7.54 3.67 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 0.36 0.00 0.00 0.99 0.00 0.00 25 H 7.97 4.05 0.00 3.06 3.42 0.00 5.59 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 26 I 7.46 3.79 2.07 0.00 0.00 0.87 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 1.45 0.93 0.00 0.00 27 R 7.62 3.99 0.00 1.93 2.04 0.00 3.18 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 28 A 8.29 4.27 1.62 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 0.00 0.00 29 E 8.62 4.00 0.00 1.90 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 0.00 2.34 2.35 0.00 30 N 7.48 4.92 0.00 2.84 2.81 0.00 0.00 7.01 8.89 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 31 S 7.44 4.40 0.00 4.22 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 32 E 8.91 3.91 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 33 F 8.30 4.15 0.00 3.27 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 34 M 7.79 3.95 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.02 0.00 35 R 8.61 3.84 0.00 2.03 2.05 0.00 3.10 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 1.62 1.67 0.00 36 N 8.23 4.28 0.00 2.80 2.71 0.00 0.00 6.71 7.73 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 37 F 7.99 3.77 0.00 2.89 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 38 Q 8.57 4.22 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 39 K 7.62 4.26 0.00 1.83 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.68 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0.00 0.00 0.00 0.00 0.00 115 V 8.10 3.51 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 0.97 0.00 0.00 1.04 0.00 0.00 116 K 8.30 3.94 0.00 2.00 2.06 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 R 7.98 4.08 0.00 1.90 2.00 0.00 3.29 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 118 L 8.00 3.81 0.00 1.79 1.52 0.66 0.73 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 0.00 119 H 8.14 4.53 0.00 3.31 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.10 3.97 0.00 2.23 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 0.00 2.35 2.66 0.00 121 V 8.18 3.75 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 1.11 0.00 0.00 1.03 0.00 0.00 122 G 7.68 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 0.00 0.00 0.00 0.00 123 G 8.18 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 4.46 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 125 H 7.99 5.17 0.00 3.18 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.46 0.00 2.28 2.33 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 127 E 8.27 4.17 0.00 2.19 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 2.33 2.38 0.00 128 L 8.19 4.55 0.00 1.82 1.80 0.91 0.39 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 0.00 129 L 8.04 4.09 0.00 1.84 1.82 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.29 4.01 2.25 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 1.08 0.00 0.00 1.07 0.00 0.00 131 A 8.19 4.15 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 0.00 132 H 8.38 4.26 0.00 3.46 3.39 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.34 4.05 1.97 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 0.00 0.00 134 Y 8.71 4.22 0.00 3.31 3.44 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 0.00 135 T 7.99 3.44 4.13 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 0.51 0.00 0.00 136 R 7.56 3.75 0.00 1.29 1.71 0.00 3.23 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 137 Y 7.63 4.52 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 4.03 0.00 1.52 1.59 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.51 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.42 4.59 0.00 3.03 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 0.00 141 L 7.45 4.32 0.00 1.49 1.49 0.69 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.92 4.41 0.00 3.71 3.57 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 0.00 143 G 9.42 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.34 4.01 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 0.00 0.00 0.00 145 Q 8.24 4.10 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 146 V 7.55 3.58 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 1.02 0.00 0.00 0.92 0.00 0.00 147 L 7.95 3.68 0.00 1.48 0.92 0.75 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.73 3.34 0.00 1.65 1.89 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.51 7.81 149 K 7.64 3.94 0.00 1.93 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.63 7.81 150 I 7.80 3.71 2.13 0.00 0.00 0.87 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 0.83 1.04 0.00 0.00 151 A 8.59 3.82 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 0.00 152 Q 8.11 3.89 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 153 K 7.88 3.87 0.00 1.77 1.90 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 154 A 8.10 3.83 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 0.00 155 M 7.80 4.27 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 156 A 7.33 3.74 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 0.00 157 L 7.71 4.51 0.00 1.67 1.59 1.14 1.15 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 0.00 158 P 0.00 4.40 0.00 2.13 1.95 0.00 3.53 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 159 S 8.55 4.26 0.00 3.84 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 0.00 160 S 7.88 4.16 0.00 3.94 3.97 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 0.00 161 G 8.35 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 0.00 162 E 7.63 3.77 0.00 1.65 1.31 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 2.30 2.28 0.00 163 G 8.22 3.26 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 0.00 164 L 7.81 5.23 0.00 1.78 1.90 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.60 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 0.00 166 F 8.71 3.73 0.00 2.77 2.77 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 0.00 167 F 8.00 4.42 0.00 3.23 3.14 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 0.00 168 T 7.35 4.61 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 0.00 169 F 8.41 4.53 0.00 2.95 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 0.00 170 P 0.00 4.34 0.00 2.14 2.15 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 171 S 7.91 4.47 0.00 3.88 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 0.00 172 I 7.46 4.31 1.71 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.26 0.75 0.00 0.00 173 D 8.76 4.38 0.00 2.67 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 0.00 174 N 7.79 4.80 0.00 2.69 2.67 0.00 0.00 6.95 7.71 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 0.00 175 P 0.00 4.17 0.00 2.21 2.14 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 176 T 8.07 3.90 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 1.21 0.00 0.00 177 K 8.64 4.03 0.00 1.75 1.81 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 178 F 8.48 4.12 0.00 3.04 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 0.00 179 K 8.41 3.98 0.00 1.98 1.86 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.68 7.81 180 Q 7.87 4.02 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 181 L 7.68 3.86 0.00 1.61 1.43 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 7.89 3.64 0.00 2.57 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 0.00 183 R 8.27 4.00 0.00 1.96 2.03 0.00 3.47 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.03 0.00 184 A 8.03 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 R 8.18 3.81 0.00 1.98 1.85 0.00 3.08 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 186 M 8.08 3.98 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 187 N 7.72 4.70 0.00 2.86 2.83 0.00 0.00 6.93 6.94 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 0.00 188 T 7.54 4.38 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 1.17 0.00 0.00 189 L 7.25 4.07 0.00 1.59 1.63 0.90 0.83 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 0.00 190 E 8.69 3.93 0.00 1.92 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 2.29 2.30 0.00 191 M 8.54 4.78 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 192 T 8.04 4.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 193 P 0.00 4.23 0.00 2.19 2.16 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 194 E 8.12 3.92 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 195 V 7.72 3.59 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 1.04 0.00 0.00 0.95 0.00 0.00 196 K 8.39 3.89 0.00 1.88 1.82 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.42 7.81 197 H 8.34 4.12 0.00 3.48 3.25 0.00 5.64 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 0.00 198 R 8.01 3.98 0.00 2.12 1.98 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 199 V 8.25 3.65 2.13 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 1.06 0.00 0.00 1.00 0.00 0.00 200 T 7.95 3.96 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 1.20 0.00 0.00 201 E 8.08 3.93 0.00 2.36 2.13 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 2.30 2.36 0.00 202 E 8.68 3.97 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 203 A 8.14 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 204 K 8.06 4.06 0.00 2.03 1.90 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.68 7.81 205 T 7.95 3.87 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 1.15 0.00 0.00 206 A 8.29 3.73 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 0.00 207 F 8.51 3.87 0.00 3.31 3.14 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 0.00 208 L 8.03 4.00 0.00 1.80 1.81 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 209 L 7.92 3.80 0.00 0.97 0.60 0.47 0.37 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 0.00 210 N 7.71 4.08 0.00 2.84 2.76 0.00 0.00 6.97 7.52 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 0.00 211 I 7.90 3.94 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.03 1.00 0.00 0.00 212 E 8.56 4.10 0.00 1.92 1.97 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 2.33 2.45 0.00 213 L 7.49 3.81 0.00 1.73 1.38 0.83 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 214 F 7.70 4.26 0.00 3.34 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 0.00 215 E 8.66 4.07 0.00 2.04 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 0.00 2.42 2.66 0.00 216 E 8.22 3.89 0.00 2.10 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 2.28 2.32 0.00 217 L 8.09 3.92 0.00 1.29 1.40 0.69 0.76 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 0.00 218 Q 8.34 4.16 0.00 2.47 2.44 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 2.64 2.53 0.00 219 A 7.69 4.14 1.42 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 0.00 0.00 220 L 7.83 4.11 0.00 1.83 1.77 0.92 0.90 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 0.00 221 L 8.05 4.21 0.00 1.89 1.81 1.23 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 222 T 8.08 4.32 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 1.34 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.