NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.6345 8.2233 120.2103 53.3530 41.7741 176.1496 8 P 3.2345 0.0000 0.0000 64.2173 31.3488 176.0318 9 L 4.3456 9.1081 118.0962 55.4509 43.1058 176.2989 10 L 5.0760 7.7561 118.5918 51.7655 45.2760 174.4236 11 P 4.5074 0.0000 0.0000 63.8030 31.7801 176.0847 12 G 4.0525 8.8221 107.8418 45.8473 0.0000 173.9231 13 Y 3.9003 7.1495 119.3815 57.2189 39.2723 174.6479 14 S 4.3803 7.0790 120.5602 56.4970 63.2672 173.0253 15 F 4.6873 8.5078 126.8425 55.7345 39.9606 173.5325 16 N 5.0579 8.3438 123.5864 53.2204 43.5981 174.1940 17 A 4.4906 8.3246 124.2283 53.5192 20.8943 177.7300 18 H 5.0311 8.0297 111.7106 54.6638 30.1300 174.7213 19 L 4.7299 8.8532 125.2110 55.4263 42.8407 176.4490 20 V 4.8940 9.3956 124.4570 61.4234 35.1586 173.8880 21 A 4.5653 8.3685 127.3744 50.4610 22.7307 174.9320 22 G 3.3854 6.1155 105.0851 45.7541 0.0000 171.5859 23 L 4.9612 8.3766 121.2630 53.4152 44.6105 176.0236 24 T 4.2772 8.8023 124.1368 61.3214 69.6037 172.0103 25 P 4.0686 0.0000 0.0000 60.8070 29.7141 174.6833 26 I 3.7707 7.8825 126.9978 62.1549 38.6925 175.1633 27 E 5.0793 8.6511 125.2991 53.9459 33.2737 175.2534 28 A 4.2111 8.7627 127.2145 54.3188 18.7310 177.7073 29 N 4.4224 9.7365 119.3464 53.4280 37.4775 174.8402 30 G 4.1171 8.0352 108.8991 44.1845 0.0000 174.2197 31 Y 4.3673 8.8816 116.4193 58.8960 37.8927 176.6864 32 L 4.2948 7.2945 118.6643 54.4917 42.7542 176.7598 33 D 4.6323 7.8642 121.0006 52.5239 39.4118 174.7704 34 F 5.1615 6.5999 114.8460 55.0681 41.5420 174.5352 35 F 4.5364 9.1126 120.8848 56.8158 39.9361 175.5493 36 I 4.0272 8.5761 118.5953 60.9118 38.8089 174.6075 37 D 4.7029 8.7299 125.4257 52.4490 42.6909 173.9253 38 R 4.6141 9.0864 125.0641 52.6658 30.2448 174.2910 39 P 4.2446 0.0000 0.0000 65.1449 31.6649 178.2371 40 L 4.1602 7.8886 116.1897 54.2639 42.0882 177.1435 41 G 4.2806 7.9559 106.0458 44.8806 0.0000 171.8055 42 M 4.8081 7.9703 116.5815 53.0372 35.1004 177.2234 43 K 4.0418 8.7316 118.8056 58.5082 32.6292 176.7052 44 G 4.0576 7.6615 103.4166 44.7259 0.0000 171.7668 45 Y 4.6753 8.0095 116.8427 56.8010 40.4064 175.3679 46 I 5.3692 8.7172 121.5407 59.8550 41.3738 173.9966 47 L 5.4113 9.5294 129.6125 53.3744 44.8124 174.4842 48 N 5.7349 9.6787 124.4901 51.8769 42.3358 172.3302 49 L 5.0637 8.6575 128.8482 53.4365 44.5423 175.2482 50 T 4.8896 8.6884 124.1703 63.4833 69.1604 175.2579 51 I 4.3839 8.6987 119.0816 61.1365 39.8892 175.6448 52 R 4.3245 8.2185 121.3698 56.5371 33.0836 175.9437 53 G 4.4452 9.2917 111.7868 46.1116 0.0000 172.2872 54 Q 4.6601 8.4352 117.0599 54.4282 33.6510 174.2852 55 G 3.0019 8.0825 108.9854 43.5923 0.0000 171.9430 56 V 4.8051 8.0544 119.9762 59.6407 34.1087 174.5735 57 V 4.8627 9.1589 126.3815 61.3201 33.1597 174.5016 58 K 5.2099 9.3770 127.7272 54.9419 34.9537 176.2050 59 N 4.2932 9.0926 122.7920 53.3922 40.6843 173.9337 60 Q 3.4967 9.6713 126.8995 56.7125 25.9977 174.5069 61 G 4.0305 8.0139 104.8968 45.1976 0.0000 172.2698 62 R 4.6754 7.6165 118.4183 55.1546 32.2270 175.5021 63 E 5.4904 8.7752 119.7423 54.8446 33.8916 174.8903 64 F 4.8041 9.4957 124.5584 56.5342 43.1102 173.4269 65 V 4.3381 7.4858 126.3438 61.8489 32.1473 174.6060 66 C 4.8923 8.3070 123.5669 57.1133 31.9847 172.9397 67 R 4.9642 9.2898 119.3609 53.3116 34.6761 172.9868 68 P 4.3714 0.0000 0.0000 64.8754 31.5404 176.7747 69 G 4.0548 9.0697 112.2471 44.7051 0.0000 173.3951 70 D 4.3049 8.2674 120.6214 53.9291 42.3109 175.4954 71 I 5.0857 8.1190 123.6143 59.5591 40.1924 174.6421 72 L 5.3028 9.3627 126.7072 52.8765 45.2007 175.1833 73 L 4.8824 8.3666 123.3075 53.2940 45.1259 175.0795 74 F 4.9617 9.4075 125.9933 55.2210 41.1888 173.8213 75 P 3.9963 0.0000 0.0000 60.4554 33.0723 174.3553 76 P 4.4411 0.0000 0.0000 64.3140 31.7096 177.0771 77 G 4.0692 9.2083 111.1069 45.4736 0.0000 173.3254 78 E 4.2687 7.7607 120.8461 56.0596 30.7914 176.4861 79 I 4.3530 8.5213 126.6490 61.9903 38.3569 175.1367 80 H 4.7983 9.0580 123.3433 54.6054 31.2969 173.0562 81 H 5.7826 9.1433 124.3134 54.8900 31.5573 171.1669 82 Y 5.3191 7.4461 121.6676 56.0481 41.7701 174.1640 83 G 3.2278 7.6490 105.5683 45.4041 0.0000 172.1940 84 R 4.4398 8.5733 120.4912 56.6247 30.8309 176.2857 85 H 4.3108 9.0367 127.2229 55.5548 30.1820 174.2012 86 P 4.4369 0.0000 0.0000 66.2458 30.8962 177.2449 87 E 4.5294 8.0350 112.0040 55.1291 29.9552 179.0293 88 A 4.9298 8.0728 122.0680 51.1066 21.5878 177.5040 89 R 4.2910 8.5389 121.2541 59.1646 31.6877 175.5231 90 E 5.1678 8.0017 115.0106 55.7592 33.3090 174.7005 91 W 5.4522 9.4536 130.5988 56.9695 32.8779 171.6398 92 Y 4.9782 9.4172 125.0905 56.7400 39.2340 174.3687 93 H 5.2023 8.3669 119.2071 54.0492 32.2482 172.7701 94 Q 4.9008 9.1283 121.2756 55.1292 30.8110 174.6443 95 W 6.1873 8.4812 117.7544 55.7901 32.3735 173.8752 96 V 5.2076 9.4377 120.4003 60.7491 34.5072 172.9936 97 Y 5.4239 10.0835 127.4769 56.3142 40.7377 174.2069 98 F 5.0054 8.1980 120.2801 56.2328 42.0861 172.6790 99 R 4.9406 8.5031 118.3287 53.6732 31.9735 174.6510 100 P 3.7665 0.0000 0.0000 61.7996 32.7204 176.2334 101 R 3.5511 5.8400 117.7017 55.1234 30.6817 177.4806 102 A 3.8745 8.4486 123.6413 55.7770 18.2189 179.1289 103 Y 4.3476 7.4570 109.5041 57.5161 38.4616 176.2159 104 W 3.4873 7.5614 121.3017 58.4229 29.8311 178.0463 105 H 4.0859 7.5116 116.2804 58.7262 28.7341 177.2852 106 E 3.9841 7.9114 119.6722 58.7684 29.5804 177.7393 107 W 4.8875 7.6733 116.0211 57.3227 29.3144 176.5321 108 L 4.5737 7.8233 117.8540 54.5246 41.3908 176.9671 109 N 4.7927 7.8025 118.5389 52.1037 37.3465 173.3128 110 W 5.0818 8.1709 121.9472 53.5355 32.0863 173.8223 111 P 4.4568 0.0000 0.0000 62.9483 31.8314 175.9282 112 S 4.8100 8.6846 121.0442 58.2641 63.1426 174.7231 113 I 3.4682 8.3871 118.1102 62.9032 37.8574 175.8332 114 F 4.5782 7.8429 113.2824 56.5962 40.4753 176.5017 115 A 3.7724 8.4292 125.6009 53.7757 17.9144 177.6838 116 N 4.9644 9.5716 112.8549 55.9011 39.2681 174.2377 117 T 4.3471 8.2692 115.5618 61.7300 69.8616 175.4628 118 G 4.3029 8.5500 114.6764 45.9902 0.0000 171.5223 119 F 5.5799 8.8700 122.1925 56.5038 42.9046 173.8078 120 F 4.7605 8.5894 127.1175 56.6908 42.9898 172.8723 121 R 3.9751 7.7446 125.4025 53.3977 32.0552 173.1324 122 P 3.7604 0.0000 0.0000 61.9595 32.1118 176.3297 123 D 4.4737 8.4877 122.3588 54.8038 41.4958 178.0262 124 E 3.9115 8.9630 120.6282 61.6844 29.2553 180.5801 125 A 4.1463 7.9129 119.8343 54.9127 18.8326 178.4892 126 H 4.6569 8.3390 113.4451 56.6976 29.0715 177.3204 127 Q 4.0373 7.6163 121.0110 58.8388 28.5922 177.2253 128 P 4.3653 0.0000 0.0000 66.6310 31.3906 178.9541 *129 H 4.1051 8.1557 116.8739 59.9221 28.0006 179.2079 130 F 4.3724 8.2199 120.9251 60.4204 38.7266 178.0908 131 S 4.2462 8.5430 114.9673 61.6204 62.6795 176.2056 132 D 4.3409 8.3477 120.8457 57.2253 40.9801 178.0163 133 L 3.9104 8.4927 121.1921 58.0823 42.1536 178.6173 134 F 3.9573 8.8859 121.1834 61.3277 39.3272 177.2764 135 G 3.7304 8.4624 105.3097 48.0237 0.0000 175.6284 136 Q 4.0344 8.1733 120.2875 58.6958 28.6039 179.0047 137 I 3.6357 7.6368 120.8973 64.3355 37.1124 178.4899 138 I 3.5844 7.6206 120.4199 64.4723 36.7267 178.1744 139 N 4.2912 8.0473 115.7324 56.2795 38.6697 177.1069 140 A 4.2347 8.1602 122.1841 55.1809 18.3417 179.8778 141 G 3.7002 8.4595 103.3624 47.5838 0.0000 174.8060 142 Q 4.5615 7.9118 117.5495 54.7775 29.2231 176.1091 143 G 3.9430 7.4339 111.5711 45.1613 0.0000 174.6463 144 E 4.4997 8.4851 114.7438 55.1399 31.3431 177.6642 145 G 3.9122 7.9250 109.8353 46.8122 0.0000 175.6291 146 R 3.8087 8.4077 117.5631 58.2994 29.5970 177.5414 147 Y 4.7669 7.6139 111.7027 58.3031 38.6982 177.5067 148 S 4.1584 8.0982 118.1315 61.8258 62.8498 176.2631 149 E 4.0573 8.1428 121.3160 59.3163 29.5203 178.5318 150 L 4.0877 8.0013 118.5655 57.8700 41.6330 179.4342 151 L 4.0502 8.2926 118.7546 57.6122 41.5606 179.3088 152 A 3.9699 8.2575 120.8630 55.2523 18.2977 179.6705 153 I 3.7968 8.1957 118.7084 64.6784 37.2305 178.1910 154 N 4.4266 8.3883 117.7968 56.7838 38.7738 176.9742 155 L 3.9719 8.2473 120.6823 57.3979 41.5735 179.2082 156 L 3.6280 7.9698 120.5190 57.9861 41.9552 178.5698 157 E 3.0074 8.0731 119.3193 58.9592 29.4017 178.5778 158 Q 3.7277 7.8367 119.5504 58.9543 29.1232 177.9948 159 L 3.8593 7.7121 121.3156 58.1608 42.1283 178.9078 160 L 3.9345 7.7953 119.0572 57.8171 41.5168 179.5995 161 L 3.3379 7.6067 118.9361 57.5073 41.3882 179.7671 162 R 3.8207 8.0989 118.4727 58.9339 29.7922 179.1106 163 R 3.5576 8.0296 118.7027 59.4942 29.7306 178.3706 164 M 3.8651 7.2897 117.2588 58.5159 31.8516 178.3689 165 E 4.0222 8.1974 118.3795 59.0244 29.5803 179.1064 166 A 4.0295 8.0856 121.2364 55.3067 18.3636 179.8332 167 I 3.8378 7.8762 109.8435 63.1079 36.4747 176.9903 168 N 4.8068 7.5465 116.6037 52.7368 38.5815 175.7754 169 E 4.1694 7.8266 123.2217 59.2089 29.9345 177.0324 170 S 4.3102 7.4085 116.6796 58.4714 63.0742 173.6981 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 7 D 8.22 4.63 0.00 2.76 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 8 P 0.00 3.23 0.00 2.24 1.37 0.00 3.67 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 1.86 1.27 0.00 9 L 9.11 4.35 0.00 1.81 1.74 1.02 1.31 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 10 L 7.76 5.08 0.00 1.77 1.54 1.14 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.51 0.00 1.92 1.94 0.00 3.41 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.04 0.00 12 G 8.82 4.05 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 0.00 0.00 0.00 13 Y 7.15 3.90 0.00 3.09 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.08 4.38 0.00 3.59 3.34 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 15 F 8.51 4.69 0.00 2.52 1.45 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 N 8.34 5.06 0.00 2.63 2.61 0.00 0.00 7.08 7.96 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 17 A 8.32 4.49 1.26 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 18 H 8.03 5.03 0.00 3.33 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.85 4.73 0.00 1.84 1.73 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.40 4.89 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 1.21 0.00 0.00 1.46 0.00 0.00 21 A 8.37 4.57 1.06 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 0.00 0.00 22 G 6.12 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.38 4.96 0.00 1.49 1.42 0.84 0.81 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 24 T 8.80 4.28 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 25 P 0.00 4.07 0.00 1.25 1.14 0.00 3.56 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 26 I 7.88 3.77 2.06 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 1.05 0.37 0.88 0.00 0.00 27 E 8.65 5.08 0.00 1.95 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 2.54 2.62 0.00 28 A 8.76 4.21 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 29 N 9.74 4.42 0.00 2.92 3.07 0.00 0.00 6.99 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 30 G 8.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.88 4.37 0.00 3.21 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.29 4.29 0.00 1.18 1.20 0.60 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.86 4.63 0.00 2.85 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 34 F 6.60 5.16 0.00 3.20 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 35 F 9.11 4.54 0.00 3.03 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 36 I 8.58 4.03 1.70 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.36 0.84 0.00 0.00 37 D 8.73 4.70 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.09 4.61 0.00 1.61 1.72 0.00 2.85 0.00 0.00 3.05 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 39 P 0.00 4.24 0.00 2.15 2.15 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 40 L 7.89 4.16 0.00 1.64 1.74 0.91 0.91 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 41 G 7.96 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 42 M 7.97 4.81 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 43 K 8.73 4.04 0.00 1.93 1.95 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 44 G 7.66 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 0.00 0.00 0.00 45 Y 8.01 4.68 0.00 1.43 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 0.00 0.00 0.00 46 I 8.72 5.37 2.13 0.00 0.00 0.63 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 0.88 1.19 0.00 0.00 47 L 9.53 5.41 0.00 2.15 1.89 0.88 0.27 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 48 N 9.68 5.73 0.00 2.99 2.89 0.00 0.00 6.35 7.13 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 49 L 8.66 5.06 0.00 1.09 0.23 0.89 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.69 4.89 4.58 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 1.52 0.00 0.00 51 I 8.70 4.38 1.89 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 1.32 0.76 0.91 0.00 0.00 52 R 8.22 4.32 0.00 1.70 1.34 0.00 3.05 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 53 G 9.29 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.44 4.66 0.00 1.87 1.72 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 2.24 2.30 0.00 55 G 8.08 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 0.00 0.00 0.00 56 V 8.05 4.81 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 0.95 0.00 0.00 1.02 0.00 0.00 57 V 9.16 4.86 2.51 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 1.62 0.00 0.00 1.12 0.00 0.00 58 K 9.38 5.21 0.00 1.72 1.71 0.00 1.49 0.00 0.00 1.54 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 59 N 9.09 4.29 0.00 2.10 1.42 0.00 0.00 7.30 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 60 Q 9.67 3.50 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 61 G 8.01 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 62 R 7.62 4.68 0.00 1.66 2.03 0.00 3.18 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 63 E 8.78 5.49 0.00 1.88 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 2.27 2.32 0.00 64 F 9.50 4.80 0.00 2.97 2.86 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 0.00 0.00 0.00 65 V 7.49 4.34 1.68 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 0.55 0.00 0.00 0.76 0.00 0.00 66 C 8.31 4.89 0.00 3.21 3.28 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 67 R 9.29 4.96 0.00 1.70 1.79 0.00 3.09 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 68 P 0.00 4.37 0.00 2.03 2.04 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 69 G 9.07 4.05 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 0.00 0.00 0.00 70 D 8.27 4.30 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.12 5.09 2.14 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 1.39 0.00 0.00 72 L 9.36 5.30 0.00 1.67 1.28 1.14 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.37 4.88 0.00 0.35 0.87 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 74 F 9.41 4.96 0.00 3.03 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 75 P 0.00 4.00 0.00 1.91 1.74 0.00 3.59 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.11 0.00 76 P 0.00 4.44 0.00 1.83 1.99 0.00 2.82 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 77 G 9.21 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 78 E 7.76 4.27 0.00 2.23 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 0.00 2.47 2.55 0.00 79 I 8.52 4.35 1.96 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 1.53 0.69 0.98 0.00 0.00 80 H 9.06 4.80 0.00 2.88 2.78 0.00 5.60 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 9.14 5.78 0.00 3.19 3.44 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.45 5.32 0.00 3.08 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.65 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 0.00 0.00 0.00 84 R 8.57 4.44 0.00 1.97 1.93 0.00 3.46 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 85 H 9.04 4.31 0.00 3.14 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.44 0.00 2.18 2.21 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 87 E 8.03 4.53 0.00 2.00 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 2.15 1.85 0.00 88 A 8.07 4.93 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 89 R 8.54 4.29 0.00 1.94 1.96 0.00 3.23 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 90 E 8.00 5.17 0.00 2.47 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 2.27 2.25 0.00 91 W 9.45 5.45 0.00 3.59 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 92 Y 9.42 4.98 0.00 2.87 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 93 H 8.37 5.20 0.00 3.19 2.71 0.00 5.25 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 9.13 4.90 0.00 1.53 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 95 W 8.48 6.19 0.00 3.61 3.28 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 96 V 9.44 5.21 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 0.66 0.00 0.00 1.07 0.00 0.00 97 Y 10.08 5.42 0.00 3.20 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 0.00 98 F 8.20 5.01 0.00 3.12 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.50 4.94 0.00 1.64 1.80 0.00 3.20 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 100 P 0.00 3.77 0.00 1.91 2.02 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 101 R 5.84 3.55 0.00 0.67 1.06 0.00 3.11 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.00 102 A 8.45 3.87 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 0.00 103 Y 7.46 4.35 0.00 2.96 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 0.00 104 W 7.56 3.49 0.00 3.17 2.96 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 0.00 105 H 7.51 4.09 0.00 2.98 3.36 0.00 5.62 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 0.00 106 E 7.91 3.98 0.00 1.96 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 2.61 2.44 0.00 107 W 7.67 4.89 0.00 3.51 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 0.00 108 L 7.82 4.57 0.00 1.76 1.61 0.48 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.80 4.79 0.00 2.88 3.06 0.00 0.00 6.98 7.83 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 0.00 110 W 8.17 5.08 0.00 3.17 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 0.00 111 P 0.00 4.46 0.00 2.12 2.01 0.00 3.87 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 2.15 2.17 0.00 112 S 8.68 4.81 0.00 3.76 3.98 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 0.00 0.00 0.00 113 I 8.39 3.47 0.67 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 0.96 -0.36 -0.21 0.00 0.00 114 F 7.84 4.58 0.00 3.13 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 0.00 115 A 8.43 3.77 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 0.00 116 N 9.57 4.96 0.00 2.69 2.96 0.00 0.00 7.09 7.27 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 0.00 117 T 8.27 4.35 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 118 G 8.55 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 0.00 119 F 8.87 5.58 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.59 4.76 0.00 1.79 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 0.00 0.00 0.00 121 R 7.74 3.98 0.00 1.57 1.74 0.00 3.62 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 122 P 0.00 3.76 0.00 1.84 1.59 0.00 3.30 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.45 0.00 123 D 8.49 4.47 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 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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 0.00 133 L 8.49 3.91 0.00 1.85 1.74 0.70 0.77 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 0.00 134 F 8.89 3.96 0.00 3.40 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 0.00 135 G 8.46 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.17 4.03 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 137 I 7.64 3.64 1.77 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.71 0.00 0.00 138 I 7.62 3.58 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.96 0.82 0.00 0.00 139 N 8.05 4.29 0.00 2.81 2.88 0.00 0.00 7.07 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 0.00 140 A 8.16 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.46 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 7.91 4.56 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 143 G 7.43 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 0.00 144 E 8.49 4.50 0.00 1.98 1.83 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 2.13 1.84 0.00 145 G 7.93 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.41 3.81 0.00 1.84 1.87 0.00 3.22 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 147 Y 7.61 4.77 0.00 3.03 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 0.00 148 S 8.10 4.16 0.00 4.01 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 0.00 149 E 8.14 4.06 0.00 2.09 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 2.46 2.50 0.00 150 L 8.00 4.09 0.00 2.03 1.83 1.09 0.74 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 0.00 151 L 8.29 4.05 0.00 2.01 1.74 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.26 3.97 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 0.00 153 I 8.20 3.80 2.14 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 1.51 0.83 1.07 0.00 0.00 154 N 8.39 4.43 0.00 2.98 3.03 0.00 0.00 7.27 6.00 0.00 0.00 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 L 8.25 3.97 0.00 1.78 1.61 0.92 0.71 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 0.00 156 L 7.97 3.63 0.00 1.62 1.72 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.07 3.01 0.00 2.18 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 2.26 2.39 0.00 158 Q 7.84 3.73 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 159 L 7.71 3.86 0.00 1.65 1.70 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.80 3.93 0.00 1.51 1.67 0.24 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.61 3.34 0.00 1.44 1.30 0.62 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.10 3.82 0.00 1.77 1.66 0.00 2.99 0.00 0.00 2.90 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 163 R 8.03 3.56 0.00 0.99 1.64 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 164 M 7.29 3.87 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.63 0.00 165 E 8.20 4.02 0.00 1.94 1.93 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 2.22 2.35 0.00 166 A 8.09 4.03 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 167 I 7.88 3.84 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.62 0.86 0.00 0.00 168 N 7.55 4.81 0.00 2.81 2.83 0.00 0.00 6.43 7.33 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 0.00 169 E 7.83 4.17 0.00 2.01 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 2.33 2.43 0.00 170 S 7.41 4.31 0.00 4.13 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.