NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3917 8.1133 119.6301 56.0390 32.3219 173.8338 3 L 5.2351 8.4060 120.1628 52.1563 45.9716 173.4130 4 L 4.8164 9.1353 125.9561 53.4029 44.6658 174.6084 5 A 5.0249 8.6602 128.7283 50.9562 20.4131 175.9095 6 V 4.3935 8.3766 122.7637 60.8639 34.2909 174.6677 7 F 5.3358 8.2651 126.5979 55.9454 41.1828 175.0672 8 V 4.6104 8.5002 120.8930 60.2761 34.1088 172.8072 9 S 4.2364 8.5573 116.3474 59.5176 62.5651 175.2931 10 S 4.4959 8.9895 120.2682 58.9528 63.7414 174.7672 11 R 4.3554 7.7854 115.7354 55.5467 30.4306 176.0562 12 L 3.8473 7.7255 121.3848 55.9700 42.5271 175.9629 13 S 4.6962 8.5442 120.1127 56.6970 63.3452 172.9778 14 P 2.9700 0.0000 0.0000 64.9145 31.0485 177.2170 15 E 4.1115 7.5625 115.1960 56.9645 30.0268 176.3067 16 D 4.4740 8.1277 120.9287 53.0160 41.9622 175.2463 17 P 4.1904 0.0000 0.0000 65.6770 31.1761 178.8927 18 L 3.0930 8.1126 117.8883 57.1249 41.2824 178.7064 19 Y 3.7194 7.5704 119.5301 60.7405 38.8184 178.2779 20 A 4.0609 7.9120 120.9527 55.1756 18.5041 179.6719 21 R 3.7291 7.1692 116.8216 59.0447 30.0010 179.2488 22 W 4.4516 7.7654 118.9516 59.2761 28.9491 178.8927 23 V 4.1918 7.6423 119.9607 65.5520 30.8990 177.9956 24 R 3.9646 7.9389 118.2197 59.7761 29.6379 178.0353 25 Y 4.3745 8.4290 116.7314 61.0011 37.9337 178.9030 26 G 3.6452 8.3155 106.7520 47.8104 0.0000 175.6031 27 E 4.1342 8.2289 121.2847 59.1297 29.5200 179.6562 28 V 3.6102 8.1312 118.6986 65.9280 31.5897 178.0653 29 L 4.0008 8.1802 119.4388 58.7422 40.2194 179.1710 30 A 4.5602 7.9137 122.6853 54.6401 18.1117 179.4715 31 E 4.0241 8.2128 116.2002 59.3445 29.6000 178.5791 32 E 4.4003 8.0459 115.8615 56.5850 29.6363 177.5414 33 G 3.8391 8.1426 107.6707 45.1254 0.0000 173.2744 34 F 4.8765 8.5375 118.2642 55.6901 42.3441 175.1755 35 G 4.5421 8.9234 108.3678 44.7400 0.0000 171.7194 36 L 5.3702 9.0191 121.1617 52.9843 45.2224 174.8971 37 A 5.2862 8.8239 127.3236 50.4110 21.8978 175.0787 38 C 5.0027 8.9507 116.8511 57.1063 33.3962 174.9882 39 G 3.7000 8.9195 106.6785 46.3098 0.0000 174.7627 40 G 3.7916 8.1348 107.9138 45.9253 0.0000 172.7951 41 Y 5.0791 7.3404 116.8567 58.2304 38.2874 174.1702 42 Q 4.6359 8.7652 127.4963 57.0005 31.6973 176.1188 43 G 4.3049 8.8282 109.1221 47.4959 0.0000 177.2439 44 G 3.8243 8.9058 108.5458 44.9202 0.0000 174.6491 *46 E 4.1954 8.3240 121.4946 55.8063 32.0221 177.2131 47 A 3.4699 7.7232 120.2855 54.9370 18.2413 179.5998 48 L 4.0190 8.0417 117.4668 57.9186 41.6295 179.6097 49 A 4.0159 7.8752 120.1406 55.2320 18.3780 179.6374 50 R 3.0708 7.9996 117.0250 58.9834 29.7046 179.5669 51 G 3.5441 7.7954 104.9084 47.7455 0.0000 175.6819 52 V 3.7664 7.8001 121.0259 65.8003 31.5685 178.3511 53 K 4.0394 8.4349 118.0776 59.2775 31.6388 179.2140 54 A 4.1640 7.9402 120.4273 54.1452 18.2235 178.7680 55 K 4.5140 7.4110 114.7534 55.8598 32.5851 177.2634 56 G 3.8558 7.9496 106.5717 45.8643 0.0000 174.4102 57 G 3.9971 8.0654 107.5850 45.3803 0.0000 172.9097 58 L 5.0480 8.3308 120.9836 53.3087 44.6427 175.0721 59 V 4.8798 9.1952 125.1518 61.1317 34.6576 174.0306 60 V 4.7366 9.3336 128.4332 61.0530 34.0050 174.3137 61 G 4.1704 9.3139 115.4989 44.6118 0.0000 172.3953 62 V 5.0047 9.2465 128.1245 61.1426 31.6120 175.6218 63 T 4.2090 8.0549 118.2848 60.2222 71.4222 174.6660 64 A 5.6155 9.2016 121.4263 48.8988 20.0092 174.7852 65 P 4.4876 0.0000 0.0000 65.8716 31.3139 178.4961 66 A 3.9364 8.1917 118.5994 54.5968 18.2841 178.8006 67 F 4.0611 8.2826 114.6878 58.2270 40.6914 176.0486 68 F 4.9733 7.9088 116.4241 55.1318 39.1980 173.9324 69 P 4.4017 0.0000 0.0000 65.5120 31.8240 178.4534 70 E 4.0011 8.2340 114.6002 58.1182 29.6925 176.8596 71 R 4.3672 8.4581 120.1699 54.4567 29.5666 176.7946 72 R 3.9892 8.5324 123.6440 57.3685 30.3201 177.1061 73 G 4.0270 6.9188 101.9654 44.8399 0.0000 169.9644 74 P 4.5345 0.0000 0.0000 62.0868 32.1524 175.7059 75 N 4.6765 8.7320 117.1239 52.0525 37.7879 174.4883 76 P 4.1383 0.0000 0.0000 65.1020 31.3551 177.3883 77 F 4.5581 8.3910 115.2996 57.1505 39.1626 175.6347 78 V 4.0505 7.5623 121.8968 62.3875 32.0948 175.3551 79 D 4.6376 9.1318 128.0804 56.4019 41.8155 176.9646 80 L 4.7758 7.8131 117.8213 52.7499 45.0179 175.0540 81 E 4.8673 8.8530 124.6967 54.7125 31.6983 175.4718 82 L 4.8111 8.9529 128.9833 52.0701 43.1051 172.2466 83 P 5.0366 0.0000 0.0000 61.7769 32.3622 175.7174 84 A 5.0379 9.1871 125.2976 50.3337 21.3873 177.0998 85 A 4.4679 9.2731 123.2976 53.4359 19.9262 178.0676 86 T 5.1215 7.5251 105.2258 59.1068 73.3916 174.9105 87 L 3.7717 8.1639 121.1910 57.4810 41.6496 177.9471 88 P 4.1721 0.0000 0.0000 65.5594 31.2884 178.4471 89 Q 3.9602 8.1418 118.5016 58.9578 28.9469 178.1976 90 R 3.8861 8.0590 119.7477 59.5009 30.0933 178.6013 91 I 3.6617 7.9264 119.7825 64.3518 37.1348 178.5172 92 G 3.6880 8.3689 106.9279 48.0653 0.0000 175.9008 93 R 4.0092 8.1400 120.1637 58.9693 29.9623 179.0801 94 L 4.0921 7.9527 118.8509 57.8661 41.4153 179.6198 95 L 4.0524 7.9751 118.0631 57.9720 41.6552 179.0828 96 D 4.6032 8.1477 117.4473 56.8017 40.8180 178.3557 97 L 4.3050 7.9083 119.3929 55.9034 42.1059 177.4704 98 G 4.0811 7.4629 106.4880 44.2861 0.0000 173.5170 99 A 4.2310 8.7982 123.6076 53.2358 19.5457 177.2618 100 G 3.6627 7.1320 100.8563 45.5573 0.0000 171.8226 101 Y 5.4821 8.7949 117.0493 55.9408 42.5959 174.6906 102 L 4.8575 8.3498 123.0687 53.2805 45.7550 174.8832 103 A 5.0028 8.9460 129.0888 50.4922 20.4356 176.2469 104 L 4.5612 8.7082 122.4906 53.4802 43.6337 175.3675 105 P 3.1139 0.0000 0.0000 63.1572 32.1703 176.8516 106 G 4.3038 6.9765 109.2912 45.3283 0.0000 172.3398 107 G 4.4192 8.0907 106.8042 43.8709 0.0000 174.1337 108 V 3.7986 8.7187 118.4048 66.4389 30.9442 179.4257 109 G 3.6069 8.1289 104.7841 48.0792 0.0000 175.7351 110 T 4.2685 7.9232 118.9452 65.6626 68.6219 176.5447 111 L 3.3829 8.2505 122.3963 57.7663 42.2165 178.7200 112 A 3.9138 8.0572 120.8330 55.2430 17.8175 179.5683 113 E 3.3547 7.4391 115.9896 59.0142 29.2753 179.1140 114 L 3.8858 7.3326 120.2489 58.3520 42.1149 179.3174 115 V 3.8253 8.0666 118.3224 65.9207 31.4391 177.9983 116 L 3.9410 7.7394 118.2694 57.6100 41.3168 179.2861 117 A 3.9543 7.8521 120.7794 54.8137 18.2281 179.4217 118 W 4.3818 8.5979 127.2936 60.7136 30.8963 177.4464 119 N 4.1522 8.7235 117.4029 56.8798 38.0754 176.7185 120 L 4.0760 7.6378 118.4954 57.9338 42.0514 179.2627 121 L 4.2490 7.9728 119.1110 57.9068 41.3464 178.8406 122 Y 4.1681 8.3474 119.1545 60.6842 38.7305 177.9518 123 L 3.7138 7.8247 118.7445 55.2854 42.6160 177.1969 124 R 3.8285 7.7333 116.7710 57.6719 27.8509 176.3026 125 R 4.5585 7.3000 108.6929 55.9861 32.0664 176.5315 126 G 3.8893 8.5063 103.5743 46.4932 0.0000 174.5253 127 V 4.2447 7.7185 111.6690 60.2034 34.0620 176.9400 128 G 4.0033 9.2337 109.6025 45.1937 0.0000 172.2700 129 R 4.7672 8.3826 115.9225 53.7590 34.7612 173.4196 130 P 4.4737 0.0000 0.0000 63.2561 32.7114 175.3552 131 L 5.3309 8.7915 124.2885 53.3608 45.0784 174.7253 132 A 4.9737 8.7831 128.0515 50.1328 22.0090 175.4461 133 V 4.8795 8.5993 112.9376 59.3075 36.2837 174.8263 134 D 5.2564 9.0189 123.2608 52.9667 41.9988 175.4555 135 P 4.2250 0.0000 0.0000 66.1585 32.1028 177.5806 136 Y 4.0849 8.8038 119.0375 60.9505 38.4343 178.7504 137 W 4.3228 8.4332 119.0977 59.3363 28.9099 177.9681 138 L 4.4975 7.9407 117.5677 56.2383 41.2391 178.5630 139 G 3.6972 7.7871 104.8540 45.5935 0.0000 173.4360 140 L 4.4368 7.4363 119.7956 56.4181 43.9465 176.2794 141 L 4.3959 8.2650 120.1952 53.9282 41.5750 176.3949 142 K 4.6474 8.3267 121.4206 54.7225 35.7193 175.5760 143 A 4.2343 8.4815 122.3486 52.9399 18.8802 176.9371 144 H 4.3645 9.7584 117.3890 56.3830 34.2548 174.2695 145 G 3.7129 8.4471 117.6045 46.8967 0.0000 175.5317 146 E 4.0043 8.9262 124.4723 57.5436 29.4752 176.5355 147 I 3.9401 7.9205 121.2954 59.9174 36.8255 175.4442 148 A 4.6973 8.8518 129.2114 50.5790 19.6408 176.4675 149 P 4.3764 0.0000 0.0000 65.8862 31.0729 179.1586 150 E 4.0578 8.1826 116.1489 59.2715 29.6876 178.6921 151 D 4.7546 8.2213 119.3473 57.5133 40.9718 178.9126 152 V 3.9081 8.1998 118.4613 65.8292 31.3972 177.7704 153 G 3.8219 8.2207 104.2052 46.6696 0.0000 175.1017 154 L 4.3514 7.8851 120.4133 55.8633 41.8720 176.8582 155 L 4.2113 7.1779 119.8697 54.2614 42.2085 177.2165 156 R 4.4057 8.7982 123.3517 55.3720 32.2310 175.4208 157 V 4.6792 8.1439 121.1286 61.1916 33.7933 175.0080 158 V 4.2705 8.6779 127.3889 61.4717 33.1326 175.3298 159 A 4.6684 9.4230 131.6287 52.6672 20.5764 175.8511 160 D 5.0905 7.8389 116.0444 51.3958 43.6816 175.6709 161 E 3.7224 8.9447 117.2415 59.4933 29.2556 179.0127 162 E 3.9526 8.1934 119.2323 59.3528 29.5456 178.7038 163 D 4.3389 8.7630 119.3888 57.1323 40.7728 178.5001 164 L 3.8015 7.7994 120.7909 58.2273 41.9479 179.3135 165 R 3.8551 7.9835 117.8657 59.3717 29.7816 179.3028 166 R 3.9026 7.7728 116.7651 58.9981 30.3276 178.6342 167 F 4.3482 8.4853 120.7599 61.4245 39.4638 177.2054 168 L 3.4012 8.0209 118.7361 57.6702 41.1555 179.6410 169 R 4.1374 8.0745 116.8224 58.0563 30.0848 178.0563 170 S 4.4796 7.3921 112.3932 58.5177 63.6680 174.0995 171 L 3.9834 7.3617 127.8151 55.1489 41.3863 176.5442 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 R 8.11 4.39 0.00 1.35 1.94 0.00 3.02 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 3 L 8.41 5.24 0.00 1.82 1.58 0.96 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.14 4.82 0.00 1.45 1.42 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.66 5.02 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.38 4.39 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 0.65 0.00 0.00 0.81 0.00 0.00 7 F 8.27 5.34 0.00 2.97 2.98 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 8 V 8.50 4.61 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 0.51 0.00 0.00 0.77 0.00 0.00 9 S 8.56 4.24 0.00 4.06 3.90 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 10 S 8.99 4.50 0.00 3.98 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 11 R 7.79 4.36 0.00 1.96 2.11 0.00 3.10 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 12 L 7.73 3.85 0.00 1.90 1.88 0.97 0.78 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 13 S 8.54 4.70 0.00 3.86 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 2.97 0.00 1.72 1.34 0.00 3.53 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 1.76 1.47 0.00 15 E 7.56 4.11 0.00 1.88 1.92 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 2.26 2.20 0.00 16 D 8.13 4.47 0.00 2.63 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 17 P 0.00 4.19 0.00 2.05 1.97 0.00 3.55 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 2.03 2.10 0.00 18 L 8.11 3.09 0.00 1.30 0.60 0.85 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.57 3.72 0.00 3.15 2.91 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 20 A 7.91 4.06 1.27 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 0.00 0.00 0.00 21 R 7.17 3.73 0.00 0.81 1.31 0.00 2.91 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 22 W 7.77 4.45 0.00 3.09 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 23 V 7.64 4.19 2.21 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 1.17 0.00 0.00 0.91 0.00 0.00 24 R 7.94 3.96 0.00 2.04 2.22 0.00 3.34 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 25 Y 8.43 4.37 0.00 3.27 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 26 G 8.32 3.65 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 0.00 0.00 0.00 27 E 8.23 4.13 0.00 2.25 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 2.48 2.54 0.00 28 V 8.13 3.61 2.20 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 0.99 0.00 0.00 1.03 0.00 0.00 29 L 8.18 4.00 0.00 1.91 1.85 1.06 0.51 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 30 A 7.91 4.56 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.21 4.02 0.00 2.15 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 2.36 2.60 0.00 32 E 8.05 4.40 0.00 2.24 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 2.56 2.46 0.00 33 G 8.14 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 0.00 0.00 0.00 34 F 8.54 4.88 0.00 3.13 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 35 G 8.92 4.54 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 0.00 36 L 9.02 5.37 0.00 1.72 1.50 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.82 5.29 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 38 C 8.95 5.00 0.00 2.98 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 39 G 8.92 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 40 G 8.13 3.79 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 0.00 0.00 0.00 41 Y 7.34 5.08 0.00 2.90 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 42 Q 8.77 4.64 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.13 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 43 G 8.83 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 44 G 8.91 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 *46 E 8.32 4.20 0.00 2.36 2.28 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 2.43 2.57 0.00 47 A 7.72 3.47 0.41 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 0.00 0.00 48 L 8.04 4.02 0.00 1.63 1.70 0.83 0.92 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 49 A 7.88 4.02 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 0.00 0.00 0.00 0.00 0.00 50 R 8.00 3.07 0.00 1.61 1.46 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.52 0.00 51 G 7.80 3.54 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 0.00 60 V 9.33 4.74 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 0.91 0.00 0.00 0.95 0.00 0.00 61 G 9.31 4.17 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 0.00 0.00 0.00 62 V 9.25 5.00 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 1.33 0.00 0.00 0.96 0.00 0.00 63 T 8.05 4.21 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 0.85 0.00 0.00 64 A 9.20 5.62 1.56 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 65 P 0.00 4.49 0.00 2.38 2.51 0.00 4.06 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 66 A 8.19 3.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.28 4.06 0.00 2.68 2.41 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 68 F 7.91 4.97 0.00 3.00 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 69 P 0.00 4.40 0.00 2.04 2.14 0.00 3.66 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 1.99 2.07 0.00 70 E 8.23 4.00 0.00 2.08 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 2.48 0.00 71 R 8.46 4.37 0.00 1.80 1.77 0.00 2.21 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 72 R 8.53 3.99 0.00 1.83 2.09 0.00 3.56 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 73 G 6.92 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 74 P 0.00 4.53 0.00 2.15 1.96 0.00 3.81 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 75 N 8.73 4.68 0.00 3.38 3.26 0.00 0.00 7.33 8.32 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 76 P 0.00 4.14 0.00 1.27 1.86 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 77 F 8.39 4.56 0.00 3.17 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 78 V 7.56 4.05 2.20 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 0.82 0.00 0.00 0.98 0.00 0.00 79 D 9.13 4.64 0.00 2.72 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 80 L 7.81 4.78 0.00 1.56 1.53 0.93 0.81 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 81 E 8.85 4.87 0.00 1.95 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 2.21 2.24 0.00 82 L 8.95 4.81 0.00 1.74 1.49 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 5.04 0.00 2.18 2.10 0.00 3.40 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 84 A 9.19 5.04 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 85 A 9.27 4.47 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 86 T 7.53 5.12 4.34 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 1.30 0.00 0.00 87 L 8.16 3.77 0.00 1.57 1.59 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.17 0.00 2.14 2.07 0.00 3.59 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 2.10 2.10 0.00 89 Q 8.14 3.96 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 90 R 8.06 3.89 0.00 2.06 2.00 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 91 I 7.93 3.66 1.88 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.68 0.00 0.00 92 G 8.37 3.69 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 0.00 0.00 0.00 93 R 8.14 4.01 0.00 2.06 2.02 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 94 L 7.95 4.09 0.00 1.94 1.94 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.98 4.05 0.00 1.75 1.74 0.81 0.68 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 96 D 8.15 4.60 0.00 2.71 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 97 L 7.91 4.30 0.00 1.95 1.79 0.96 0.93 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 98 G 7.46 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.80 4.23 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 0.00 100 G 7.13 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.79 5.48 0.00 2.97 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 0.00 102 L 8.35 4.86 0.00 1.53 1.24 0.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.95 5.00 1.17 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 0.00 0.00 104 L 8.71 4.56 0.00 1.16 0.75 -0.21 0.38 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 0.00 105 P 0.00 3.11 0.00 1.65 0.49 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 106 G 6.98 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 0.00 107 G 8.09 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 0.00 0.00 0.00 0.00 108 V 8.72 3.80 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 1.15 0.00 0.00 1.00 0.00 0.00 109 G 8.13 3.61 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 0.00 0.00 0.00 110 T 7.92 4.27 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 111 L 8.25 3.38 0.00 1.82 1.88 0.68 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.06 3.91 1.27 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 0.00 0.00 0.00 113 E 7.44 3.35 0.00 1.20 1.12 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 1.85 2.10 0.00 114 L 7.33 3.89 0.00 1.41 1.42 -0.33 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.07 3.83 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 0.91 0.00 0.00 1.00 0.00 0.00 116 L 7.74 3.94 0.00 1.74 1.57 0.82 0.69 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 0.00 117 A 7.85 3.95 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 0.00 118 W 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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 0.00 127 V 7.72 4.24 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 0.77 0.00 0.00 1.01 0.00 0.00 128 G 9.23 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 0.00 129 R 8.38 4.77 0.00 1.12 1.68 0.00 3.32 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 130 P 0.00 4.47 0.00 1.94 2.06 0.00 3.52 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 131 L 8.79 5.33 0.00 2.01 1.61 1.04 0.98 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 0.00 132 A 8.78 4.97 0.03 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 0.00 133 V 8.60 4.88 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 0.50 0.00 0.00 0.91 0.00 0.00 134 D 9.02 5.26 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.22 0.00 2.27 2.16 0.00 3.77 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 2.18 2.15 0.00 136 Y 8.80 4.08 0.00 2.94 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 0.00 137 W 8.43 4.32 0.00 3.57 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 0.00 138 L 7.94 4.50 0.00 1.76 1.72 0.91 0.73 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 0.00 139 G 7.79 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 0.00 140 L 7.44 4.44 0.00 1.49 1.92 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.27 4.40 0.00 1.56 1.52 0.62 0.95 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 0.00 142 K 8.33 4.65 0.00 1.84 1.76 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.49 7.81 143 A 8.48 4.23 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 0.00 144 H 9.76 4.36 0.00 3.11 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.45 3.71 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 0.00 0.00 0.00 146 E 8.93 4.00 0.00 1.93 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 2.31 2.31 0.00 147 I 7.92 3.94 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.66 1.00 0.00 0.00 148 A 8.85 4.70 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 0.00 149 P 0.00 4.38 0.00 2.22 2.16 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 150 E 8.18 4.06 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 151 D 8.22 4.75 0.00 3.08 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 0.00 152 V 8.20 3.91 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 1.04 0.00 0.00 1.17 0.00 0.00 153 G 8.22 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 0.00 154 L 7.89 4.35 0.00 2.07 1.95 1.20 1.03 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 0.00 155 L 7.18 4.21 0.00 1.44 1.38 0.11 0.26 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 0.00 156 R 8.80 4.41 0.00 1.82 1.79 0.00 3.18 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 157 V 8.14 4.68 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 0.81 0.00 0.00 0.90 0.00 0.00 158 V 8.68 4.27 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 0.78 0.00 0.00 0.54 0.00 0.00 159 A 9.42 4.67 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 0.00 160 D 7.84 5.09 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.94 3.72 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 162 E 8.19 3.95 0.00 2.17 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 2.41 2.35 0.00 163 D 8.76 4.34 0.00 2.79 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 0.00 164 L 7.80 3.80 0.00 1.18 1.51 0.72 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.98 3.86 0.00 2.01 1.94 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 166 R 7.77 3.90 0.00 1.96 2.01 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 167 F 8.49 4.35 0.00 3.03 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 0.00 168 L 8.02 3.40 0.00 1.70 1.33 0.73 0.30 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 0.00 169 R 8.07 4.14 0.00 1.91 1.99 0.00 3.19 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 170 S 7.39 4.48 0.00 3.98 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 0.00 171 L 7.36 3.98 0.00 1.79 1.52 0.30 0.11 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 * Residues marked with a * may have inaccurate shift predictions.