NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7747 8.3544 109.7369 45.6474 0.0000 174.5347 *2 S 4.2937 9.3371 113.9497 57.8575 64.4441 172.5419 3 V 4.1798 7.6103 121.3374 62.2180 31.8659 174.3329 4 E 4.6987 9.1909 128.5308 54.9403 31.9453 175.0946 5 I 5.0149 8.2213 123.9994 59.6117 38.8731 175.0999 6 K 4.8550 8.9390 125.4998 54.8225 36.4639 175.8752 7 R 4.5957 8.6739 117.7744 56.4274 30.4568 175.7280 8 V 4.4383 8.5519 121.3485 61.4477 33.5201 174.6797 9 D 5.1560 8.4680 126.4399 51.7963 44.2105 176.7700 10 K 3.0754 8.7040 120.4923 59.9218 31.9612 178.0785 11 H 4.0020 8.1506 116.3054 58.6693 30.0018 175.1173 12 H 4.7776 8.0372 115.6659 55.2501 29.3745 175.6203 13 C 3.6686 7.5293 118.7782 61.0019 29.0570 175.1835 14 L 4.0617 7.5623 120.0281 56.4219 41.1085 178.3413 15 D 4.4534 7.9247 118.6902 56.5120 41.0112 177.4734 16 L 4.2837 7.6022 118.3271 54.9940 41.8150 178.6869 17 V 3.6454 7.5628 120.1363 65.8937 31.5707 177.7810 18 G 3.7437 8.1229 104.8509 48.1848 0.0000 175.2796 19 I 3.9738 7.8857 121.2796 63.5696 38.0868 177.8452 20 F 4.0522 8.6936 118.9721 60.2709 38.6589 177.6092 21 I 3.7621 8.1080 119.6411 64.4218 36.9547 177.8804 22 E 3.9959 8.1062 119.5169 59.2429 29.4289 178.5342 23 L 3.0588 7.7924 120.2433 57.9876 41.9712 178.6365 24 E 4.2259 8.6091 118.7463 59.7314 29.4289 179.6206 25 R 3.9620 8.2487 117.9592 59.3561 29.9103 178.3190 26 Y 3.9543 7.7267 118.0064 61.2049 38.9037 177.6885 27 Y 3.6884 7.6997 115.9345 59.5147 38.2395 176.3523 28 F 5.0476 8.1962 115.6897 56.3450 42.0569 177.0350 29 G 3.9704 8.1882 111.2815 46.1538 0.0000 175.9397 30 D 4.3686 8.7750 123.0945 57.0955 40.6018 177.5719 31 K 4.3842 8.5304 115.8720 55.9338 32.1064 176.7299 32 A 4.3032 8.1483 122.8090 52.2504 18.7646 178.3103 33 A 4.2084 8.9857 125.1328 51.6363 19.3250 178.4134 34 S 4.4875 8.2654 115.2556 57.5514 65.4971 175.1263 35 E 3.9473 8.6253 122.0982 59.7495 29.2279 178.7953 36 Q 4.0460 8.0602 117.4585 59.0997 28.7090 178.4208 37 D 4.4263 7.9736 120.1092 57.2001 40.8137 178.8046 38 L 4.1602 8.2378 119.4640 57.6456 41.5944 179.3811 39 A 3.9577 8.1422 120.9159 55.1675 18.2393 179.5104 40 N 4.1953 8.0474 115.0466 56.3119 38.6054 176.7633 41 Y 4.3371 8.3817 121.3885 60.9696 38.9659 178.2906 42 L 3.8142 8.2306 119.8158 58.1720 41.5649 179.9406 43 S 4.1483 7.8857 113.3317 60.8827 62.8377 175.4336 44 H 4.9379 8.3045 116.8530 55.7610 30.0441 174.3767 45 Q 4.4384 7.8949 116.2333 57.3998 30.9703 176.9840 46 V 3.3504 7.4729 116.0410 65.1603 31.4960 175.9971 47 F 4.5006 7.7060 119.1392 55.2951 38.4140 174.2602 48 S 4.6985 7.6098 119.1109 56.3669 66.2855 175.6403 49 E 3.9611 8.7390 119.7985 59.4800 29.1596 178.1764 50 H 4.5323 7.4249 112.5004 56.2719 29.2795 175.5699 51 S 4.1131 7.3510 116.4818 58.3716 62.5283 173.7794 52 G 3.9319 8.5499 114.7334 45.5154 0.0000 173.3870 53 V 4.4398 7.0550 113.0793 59.6391 34.1727 175.0061 54 K 4.4601 8.0295 121.3818 54.4807 36.2020 175.2170 55 V 5.2666 8.1645 119.8050 61.3568 34.8228 174.0487 56 I 5.3100 9.0401 120.3190 59.3169 40.9659 174.2180 57 A 5.3076 9.0002 123.9141 50.4348 23.2019 174.8240 58 A 4.9280 8.9119 122.9505 50.9946 20.6446 176.7166 59 V 4.9140 9.0927 122.4029 61.1418 35.4709 174.0571 60 E 4.6964 9.0279 127.2738 55.6832 33.4229 174.6737 61 H 4.0802 9.5290 123.1234 57.1009 26.4318 174.3790 62 D 4.4873 8.5070 113.5804 54.8375 39.8410 172.6947 63 K 4.6443 7.7713 115.9771 53.8695 34.8586 175.5349 64 V 4.4310 8.3453 122.4617 62.6327 32.1093 175.6203 65 L 4.4668 8.9850 127.5562 55.9559 43.3478 176.4217 66 G 4.5103 7.8724 104.0685 46.0024 0.0000 172.0880 67 F 5.7239 8.6066 114.4952 55.5422 42.1748 173.0059 68 A 5.8025 9.7882 120.6654 49.3561 22.3922 175.0802 69 T 5.4790 8.7856 111.4945 60.3969 71.2882 173.0462 70 Y 5.2378 8.4084 120.9045 56.6744 41.9701 173.1434 71 T 4.8697 8.9269 113.8981 61.2988 71.0637 172.1561 72 I 4.6195 8.1448 124.6235 59.3863 40.4961 175.0287 *74 F 4.4119 8.3841 121.1892 56.8081 39.7261 173.4404 75 P 4.8356 0.0000 0.0000 62.4913 32.5402 174.4634 76 A 4.6157 7.9227 119.7174 50.2690 22.1606 174.2167 77 P 4.4148 0.0000 0.0000 63.5526 31.9197 176.6925 78 K 4.0909 8.7247 116.7722 58.5074 29.3882 175.6613 79 L 3.7076 8.1526 113.4873 56.2993 39.2471 173.3785 80 S 4.9331 7.6682 110.0991 56.6236 66.9981 174.0526 81 G 3.4316 9.0500 107.2280 45.1440 0.0000 172.8901 82 Q 5.0688 7.4858 121.3385 54.6523 32.3137 172.2499 *84 Y 5.1893 7.9527 116.3526 57.9220 39.8353 175.0312 *86 K 4.5931 8.6587 117.5612 56.4628 34.1893 177.1233 87 D 4.8924 7.9634 117.1785 52.3884 45.5096 174.0020 88 L 4.8298 8.5419 124.2058 53.1485 44.3594 175.1671 89 F 4.5520 8.3767 128.0354 56.2687 42.6701 173.2098 90 V 4.5065 7.1032 125.3046 60.4525 33.8992 175.1528 91 S 4.2727 8.7566 123.0185 58.1372 62.6277 175.2985 92 S 4.0696 8.8782 121.7885 61.1434 62.8258 176.5066 93 S 4.1967 7.7015 113.9540 59.9559 63.3888 174.5498 94 A 4.6027 7.7682 124.2997 51.6192 18.9323 176.7511 95 R 3.9896 7.3146 114.1043 58.4284 29.9540 176.8413 96 G 3.8536 8.5946 107.1783 46.5388 0.0000 174.2098 97 K 4.2784 7.6131 115.5208 55.1264 32.7142 176.6824 98 G 3.9657 7.9272 107.1570 47.0047 0.0000 176.6077 99 I 3.8142 7.8629 122.5668 63.7229 36.9842 177.8327 100 G 3.5111 7.8678 105.1007 47.8401 0.0000 174.9120 101 L 4.1912 7.9725 121.4548 57.6089 42.4044 178.2136 102 Q 4.1896 7.9278 119.0463 59.1441 28.9634 179.5013 103 L 4.2121 8.0611 117.6149 55.2797 41.5338 179.2022 *105 K 4.2091 8.0212 120.4929 56.9201 34.1876 178.0878 106 H 4.0825 8.0360 115.5228 58.6434 28.3974 177.8730 107 L 3.6534 7.8369 120.5878 57.7141 41.4588 179.3311 108 A 3.9563 7.8893 120.1039 55.5424 18.1430 179.7318 109 T 3.8207 7.8546 114.1202 66.7351 68.3871 176.9698 110 I 3.7397 7.9241 121.6874 64.3128 37.0461 178.1836 111 A 4.1136 8.1431 121.9267 55.2787 18.1348 179.5712 112 I 4.0379 7.6674 109.1541 62.8993 37.9892 177.1366 113 T 4.4759 7.4841 110.3138 61.9525 69.3237 174.2993 114 H 4.8540 7.4500 117.7913 55.8827 29.9234 172.7711 115 N 4.2440 8.3090 113.8312 54.8635 37.3780 172.5123 116 C 5.5181 8.0612 112.1452 57.2377 29.9736 174.0897 117 Q 4.6216 8.5967 120.2489 55.6688 29.8195 175.7543 118 R 4.6763 7.7331 116.0831 53.9986 33.7948 174.2814 119 L 4.7503 8.5704 122.1462 53.4474 44.3986 175.3187 120 D 4.9838 8.2487 125.1660 52.5199 44.1098 174.7495 121 W 4.1397 7.1591 116.8083 56.2719 30.2441 173.2011 122 T 4.4429 8.3730 107.7568 59.6800 70.7349 172.5603 123 A 4.9587 8.0972 123.9711 50.5700 22.7483 174.9375 124 E 4.6398 8.4706 118.4608 54.6926 31.0079 178.1726 125 S 4.1460 8.6860 118.2689 61.4828 63.2182 175.4645 126 T 4.0357 7.8992 108.8853 62.9253 69.3739 173.5393 127 N 5.0620 8.0554 120.7196 50.9243 38.9307 172.7169 128 P 4.2368 0.0000 0.0000 66.2957 31.8466 178.2703 129 T 3.8463 7.9185 111.0736 64.8867 67.1730 175.9388 130 A 3.8292 8.3058 123.1375 54.9082 18.4152 179.6792 131 G 3.7917 8.1821 103.7925 48.0919 0.0000 175.8459 132 K 4.0087 8.0989 121.1273 58.9401 32.0143 178.9931 133 F 4.0175 8.2342 120.9153 61.6785 39.2736 176.6751 134 Y 4.3789 8.1092 116.2744 61.3651 37.7842 179.1018 135 K 4.2856 8.4428 119.5196 59.3739 31.8722 179.6065 136 S 4.1808 8.0229 114.3691 60.6740 63.0277 175.5759 137 I 4.0882 7.0741 113.9308 60.6843 37.7392 176.2694 138 G 3.9655 7.7423 109.0323 45.4711 0.0000 173.8957 139 A 4.2720 7.8481 121.8875 51.8634 19.0157 177.9243 140 S 4.6500 8.2004 116.5341 56.7198 64.6744 173.7815 141 L 4.1338 8.2415 126.2075 54.1947 42.5483 176.7079 142 I 4.1791 7.8321 127.5675 59.8762 36.0385 176.3583 143 R 4.0151 8.1502 124.2980 58.3208 30.3851 178.3157 144 E 4.1340 8.0404 116.5898 58.4564 29.8625 177.5633 145 K 4.1420 7.5966 118.9806 56.2547 32.5242 176.0248 146 E 4.5425 8.7083 122.6827 54.5356 31.8358 174.5818 147 Y 4.3385 8.3339 124.6017 56.1124 39.8797 174.1497 148 Y 4.7302 7.8200 124.0416 56.4287 41.1094 174.9493 149 R 4.6279 8.1029 119.8049 55.3212 33.1325 174.0836 150 F 4.9751 8.6556 123.0482 55.8438 41.5280 174.4861 151 E 4.7791 8.7160 120.5575 55.2452 33.8752 178.8597 152 G 3.8499 8.3719 108.8185 45.8852 0.0000 175.3469 153 N 4.4320 9.1156 122.5624 56.0448 38.1546 176.3768 154 G 3.8725 8.1891 106.6009 47.7588 0.0000 175.3072 155 L 3.8803 7.9554 122.5753 58.0347 42.1347 178.8862 156 N 4.3327 8.1434 116.5070 56.0888 38.3290 177.5704 157 K 3.9164 8.5231 120.3054 59.3877 31.9635 178.9545 158 L 3.7401 7.6613 119.0204 58.2411 41.9343 178.6777 159 A 4.0612 7.6606 119.5126 55.4107 18.3639 178.4478 160 K 3.8105 8.6625 118.4883 56.0203 32.2470 176.9089 161 S 4.0776 7.9631 120.0171 58.3271 64.7638 172.4140 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 0 G 8.35 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 *2 S 9.34 4.29 0.00 3.85 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 3 V 7.61 4.18 2.07 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 0.88 0.00 0.00 0.91 0.00 0.00 4 E 9.19 4.70 0.00 1.93 1.82 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 2.25 2.26 0.00 5 I 8.22 5.01 1.58 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.69 0.00 0.00 6 K 8.94 4.86 0.00 1.78 1.84 0.00 1.30 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 7 R 8.67 4.60 0.00 1.94 2.08 0.00 3.05 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 8 V 8.55 4.44 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 0.76 0.00 0.00 1.01 0.00 0.00 9 D 8.47 5.16 0.00 2.74 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 10 K 8.70 3.08 0.00 1.84 1.80 0.00 1.92 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.31 7.81 11 H 8.15 4.00 0.00 3.07 3.22 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.04 4.78 0.00 3.09 3.39 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.53 3.67 0.00 2.47 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.56 4.06 0.00 1.60 1.66 0.82 1.01 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 15 D 7.92 4.45 0.00 2.67 2.72 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 0.00 0.00 0.00 16 L 7.60 4.28 0.00 1.48 1.16 0.88 0.48 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 17 V 7.56 3.65 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 1.03 0.00 0.00 0.88 0.00 0.00 18 G 8.12 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.89 3.97 2.09 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 1.20 0.00 0.00 20 F 8.69 4.05 0.00 3.32 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 21 I 8.11 3.76 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.97 0.00 0.00 22 E 8.11 4.00 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 23 L 7.79 3.06 0.00 0.91 1.43 0.77 0.94 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 24 E 8.61 4.23 0.00 2.23 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 0.00 2.53 2.63 0.00 25 R 8.25 3.96 0.00 2.07 2.04 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 26 Y 7.73 3.95 0.00 2.98 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 27 Y 7.70 3.69 0.00 1.73 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 28 F 8.20 5.05 0.00 3.18 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.19 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 0.00 0.00 0.00 30 D 8.77 4.37 0.00 2.69 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 31 K 8.53 4.38 0.00 1.86 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 32 A 8.15 4.30 1.43 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 0.00 0.00 0.00 33 A 8.99 4.21 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 34 S 8.27 4.49 0.00 4.08 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 35 E 8.63 3.95 0.00 2.08 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 2.39 2.43 0.00 36 Q 8.06 4.05 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 37 D 7.97 4.43 0.00 2.77 2.70 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 38 L 8.24 4.16 0.00 1.91 1.84 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.14 3.96 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 40 N 8.05 4.20 0.00 2.88 2.95 0.00 0.00 6.63 8.30 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 41 Y 8.38 4.34 0.00 3.11 3.24 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 42 L 8.23 3.81 0.00 1.71 1.56 0.53 -0.10 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 43 S 7.89 4.15 0.00 3.56 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.30 4.94 0.00 3.26 3.33 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.89 4.44 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 46 V 7.47 3.35 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 0.31 0.00 0.00 0.33 0.00 0.00 47 F 7.71 4.50 0.00 3.07 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 48 S 7.61 4.70 0.00 3.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.74 3.96 0.00 2.01 2.07 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 2.33 2.31 0.00 50 H 7.42 4.53 0.00 3.44 3.41 0.00 5.56 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.35 4.11 0.00 3.83 3.76 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 52 G 8.55 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.05 4.44 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 0.69 0.00 0.00 0.75 0.00 0.00 54 K 8.03 4.46 0.00 0.79 1.49 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.08 7.81 55 V 8.16 5.27 2.29 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 1.26 0.00 0.00 0.83 0.00 0.00 56 I 9.04 5.31 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.21 1.01 0.00 0.00 57 A 9.00 5.31 1.34 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 0.00 0.00 58 A 8.91 4.93 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 59 V 9.09 4.91 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 1.08 0.00 0.00 0.96 0.00 0.00 60 E 9.03 4.70 0.00 2.00 1.67 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 1.82 2.08 0.00 61 H 9.53 4.08 0.00 3.34 3.34 0.00 5.91 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.51 4.49 0.00 2.80 2.75 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 0.00 63 K 7.77 4.64 0.00 1.84 1.69 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 V 8.35 4.43 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 1.05 0.00 0.00 1.03 0.00 0.00 65 L 8.98 4.47 0.00 1.61 1.68 0.97 0.66 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 66 G 7.87 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.61 5.72 0.00 3.43 3.27 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 68 A 9.79 5.80 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.79 5.48 4.33 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 1.53 0.00 0.00 70 Y 8.41 5.24 0.00 3.09 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 71 T 8.93 4.87 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 1.29 0.00 0.00 72 I 8.14 4.62 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.63 0.00 0.00 *74 F 8.38 4.41 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.84 0.00 2.25 2.16 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 76 A 7.92 4.62 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 77 P 0.00 4.41 0.00 2.20 1.99 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 78 K 8.72 4.09 0.00 1.93 1.94 0.00 2.15 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.46 7.81 79 L 8.15 3.71 0.00 1.77 1.74 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.67 4.93 0.00 4.20 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 81 G 9.05 3.43 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 0.00 0.00 0.00 0.00 82 Q 7.49 5.07 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 *84 Y 7.95 5.19 0.00 3.10 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 *86 K 8.66 4.59 0.00 2.05 2.02 0.00 1.89 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.67 7.81 87 D 7.96 4.89 0.00 2.73 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 88 L 8.54 4.83 0.00 1.45 1.46 0.80 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.38 4.55 0.00 2.88 2.26 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 90 V 7.10 4.51 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 0.69 0.00 0.00 0.68 0.00 0.00 91 S 8.76 4.27 0.00 4.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.88 4.07 0.00 4.00 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 93 S 7.70 4.20 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.77 4.60 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 95 R 7.31 3.99 0.00 1.87 1.93 0.00 3.11 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 96 G 8.59 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.61 4.28 0.00 1.91 1.82 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.33 7.81 98 G 7.93 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 0.00 0.00 0.00 99 I 7.86 3.81 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.87 0.00 0.00 100 G 7.87 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.97 4.19 0.00 1.75 1.77 0.87 0.67 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 0.00 102 Q 7.93 4.19 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 103 L 8.06 4.21 0.00 1.79 1.60 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *105 K 8.02 4.21 0.00 1.98 1.84 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.69 7.81 106 H 8.04 4.08 0.00 3.26 3.28 0.00 5.62 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 0.00 107 L 7.84 3.65 0.00 1.54 1.52 0.75 0.35 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 0.00 108 A 7.89 3.96 1.34 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 0.00 0.00 109 T 7.85 3.82 4.33 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 1.19 0.00 0.00 110 I 7.92 3.74 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.84 0.00 0.00 111 A 8.14 4.11 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 0.00 112 I 7.67 4.04 1.88 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 1.77 0.65 0.96 0.00 0.00 113 T 7.48 4.48 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 1.30 0.00 0.00 114 H 7.45 4.85 0.00 3.31 3.40 0.00 6.00 0.00 0.00 0.00 0.00 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.31 4.24 0.00 3.02 2.94 0.00 0.00 6.96 7.65 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 0.00 116 C 8.06 5.52 0.00 3.04 2.82 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 0.00 117 Q 8.60 4.62 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 118 R 7.73 4.68 0.00 1.76 1.96 0.00 3.15 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 119 L 8.57 4.75 0.00 1.58 1.63 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.25 4.98 0.00 2.84 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.16 4.14 0.00 3.02 2.75 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 0.00 122 T 8.37 4.44 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 1.30 0.00 0.00 123 A 8.10 4.96 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.47 4.64 0.00 2.07 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 2.44 2.32 0.00 125 S 8.69 4.15 0.00 3.97 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 0.00 126 T 7.90 4.04 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 0.00 127 N 8.06 5.06 0.00 2.79 2.88 0.00 0.00 7.07 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 0.00 128 P 0.00 4.24 0.00 2.20 2.12 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 129 T 7.92 3.85 4.21 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 1.16 0.00 0.00 130 A 8.31 3.83 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 0.00 132 K 8.10 4.01 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 133 F 8.23 4.02 0.00 2.96 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 0.00 134 Y 8.11 4.38 0.00 3.38 3.24 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 0.00 135 K 8.44 4.29 0.00 1.80 1.87 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.62 7.81 136 S 8.02 4.18 0.00 3.95 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 0.00 137 I 7.07 4.09 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.61 0.41 0.00 0.00 138 G 7.74 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 0.00 0.00 0.00 139 A 7.85 4.27 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.20 4.65 0.00 3.79 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 0.00 141 L 8.24 4.13 0.00 1.53 1.53 0.86 1.00 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 0.00 142 I 7.83 4.18 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 0.88 0.00 0.00 143 R 8.15 4.02 0.00 1.78 1.97 0.00 3.19 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 144 E 8.04 4.13 0.00 1.93 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 2.39 0.00 145 K 7.60 4.14 0.00 1.83 1.79 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 E 8.71 4.54 0.00 2.04 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 2.18 2.44 0.00 147 Y 8.33 4.34 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.82 4.73 0.00 2.84 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 0.00 149 R 8.10 4.63 0.00 1.85 1.80 0.00 3.28 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 150 F 8.66 4.98 0.00 3.09 2.88 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 0.00 151 E 8.72 4.78 0.00 2.15 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 2.33 2.36 0.00 152 G 8.37 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 9.12 4.43 0.00 2.81 2.90 0.00 0.00 6.71 7.61 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 0.00 154 G 8.19 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 0.00 155 L 7.96 3.88 0.00 1.81 1.95 0.89 0.73 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 0.00 156 N 8.14 4.33 0.00 2.94 2.83 0.00 0.00 7.05 7.65 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 0.00 157 K 8.52 3.92 0.00 1.88 1.84 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 158 L 7.66 3.74 0.00 1.05 1.47 0.65 0.12 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 0.00 159 A 7.66 4.06 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 K 8.66 3.81 0.00 1.80 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.42 7.81 161 S 7.96 4.08 0.00 4.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.