NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1125 8.0249 120.7889 59.7714 39.0000 175.2290 6 P 4.0984 0.0000 0.0000 62.6174 31.6924 176.8311 7 K 4.0954 8.5235 124.4355 57.2455 32.8141 176.0860 8 I 3.8410 7.6173 109.8309 63.4310 37.7760 176.1474 9 I 3.9101 7.2807 123.2987 59.9999 37.1436 174.7440 10 P 4.5300 0.0000 0.0000 61.7458 33.4780 175.1899 11 P 4.2427 0.0000 0.0000 66.0541 31.2203 178.5507 12 E 3.9649 8.1191 117.4302 59.1774 29.5296 178.4861 13 L 4.0258 7.8654 120.0322 57.7127 42.2450 178.3825 14 L 3.9452 8.0541 120.5564 57.9797 41.9927 178.8654 15 K 3.9349 8.1466 119.4769 59.5019 31.9261 178.7808 16 V 4.0450 7.5224 118.5089 65.6999 31.5535 177.7471 17 L 4.2876 8.1150 117.6524 57.8869 41.4922 178.7693 18 C 4.3241 8.1136 118.3733 61.4127 33.2574 174.7165 19 E 4.2562 8.2406 121.4997 56.0045 26.5491 175.3713 *21 G 3.5455 7.7290 112.0052 45.9804 0.0000 168.4891 22 H 4.3155 8.4646 119.5394 58.2293 29.7641 176.0641 23 G 3.9303 9.0223 116.9869 45.0793 0.0000 173.2718 24 D 4.5810 7.8983 119.8999 54.5528 42.1048 175.4729 25 Q 5.4526 8.7625 119.9468 54.0518 32.5048 174.4221 26 L 5.2870 8.8273 121.9888 53.9526 44.3569 175.1507 27 V 4.5572 8.4919 120.4861 61.2832 34.1244 174.5646 28 I 4.4402 8.8493 129.4710 60.1631 38.0573 174.4671 29 A 4.4255 8.7677 130.7413 50.5056 20.8388 176.7910 30 D 4.8192 8.5402 121.6610 52.3871 41.3589 177.4819 31 G 3.6965 9.0542 107.7096 48.2171 0.0000 174.5719 32 N 4.6169 7.9056 115.6703 53.8839 39.1289 175.4406 33 F 4.3597 7.9648 121.5029 57.4249 40.4880 174.1493 34 P 4.4723 0.0000 0.0000 61.7176 29.8391 176.5215 35 A 4.4048 8.0590 128.4541 56.0899 19.3071 180.2457 36 E 4.0318 8.2322 114.7718 59.3851 29.7473 179.2160 37 S 4.2502 7.8833 113.8859 61.5187 63.4910 176.3809 38 I 3.8318 7.8193 123.8546 63.5129 36.7452 177.5777 39 G 4.0520 8.2491 109.9145 46.0126 0.0000 176.2178 40 K 3.9794 7.7529 124.0389 56.9582 31.6365 181.0772 41 N 4.7740 8.1213 112.6269 52.9027 38.7730 173.6202 42 A 4.7756 7.8972 121.4369 50.0780 22.4855 175.6320 43 I 4.1038 7.7634 118.1662 60.3369 38.6365 175.5918 44 V 4.6847 8.3422 127.4827 61.2168 33.0760 174.6961 45 V 4.3727 8.4993 128.4008 61.2168 33.4856 175.7065 46 R 4.4373 8.4929 126.8140 56.0369 31.2362 175.9551 *48 D 4.6115 8.6699 118.5582 54.1717 43.3783 177.4949 49 G 3.9601 8.1587 102.7767 46.4022 0.0000 173.4543 50 H 5.2859 8.0129 117.4114 53.4728 32.2820 173.6327 51 G 4.3733 9.0090 109.1149 43.6536 0.0000 175.4752 52 G 4.0564 8.9281 109.5573 47.0670 0.0000 176.2513 53 G 3.8855 8.2852 108.0670 47.7713 0.0000 175.4140 54 E 4.0154 8.1995 120.3269 58.8468 29.5998 179.0584 55 I 3.6352 7.7628 120.6215 64.0155 37.1282 178.0407 56 L 3.8867 8.2182 123.6820 58.6228 41.6672 179.6606 57 K 3.9533 8.0949 122.3192 59.8174 31.6034 180.3365 58 A 4.3382 7.9732 122.2402 54.9737 18.2519 179.7124 59 I 3.6209 7.9857 118.6563 64.6704 37.0175 178.7542 60 L 4.0104 7.8952 118.2191 57.5122 41.4003 179.3507 61 T 4.1059 7.5475 108.9403 63.7720 68.7767 175.2715 62 V 4.2788 7.9236 111.9996 60.5310 33.2438 175.0825 63 F 4.6225 7.9659 121.5816 55.2090 40.8519 172.0542 64 P 4.5247 0.0000 0.0000 62.5016 32.5862 175.5155 65 L 4.7239 8.4755 123.3910 54.0642 42.6281 176.2495 66 D 4.5494 8.7095 123.9607 55.3176 41.3060 176.3463 67 T 4.4342 8.8973 114.4881 62.0936 69.5711 174.6990 68 Y 4.2671 8.6044 119.3791 58.8428 38.3774 175.5114 69 V 4.6478 7.3797 112.1123 59.3048 35.4152 175.4250 70 D 4.5415 8.7453 121.7137 56.6441 41.1085 177.2010 71 K 4.6409 7.5571 117.5939 53.7075 32.2885 173.8443 72 P 4.5444 0.0000 0.0000 64.0798 33.0285 176.3012 73 A 5.2464 8.0894 123.5018 50.4997 21.7215 175.6899 74 T 4.9971 8.7473 117.9072 60.7989 72.5637 172.3669 75 L 5.0462 8.8922 125.6932 54.7503 42.9596 179.0929 *77 E 4.3804 8.8891 125.6616 56.6892 30.2683 174.6479 78 K 2.8621 8.5065 124.6409 56.1261 32.9492 178.0474 79 V 3.6104 8.1572 118.4367 60.7280 31.9307 174.1558 80 P 4.3629 0.0000 0.0000 63.6240 31.5377 176.9357 81 G 3.9206 8.8994 110.2415 45.4147 0.0000 172.8575 82 D 4.4930 8.0548 120.3352 54.2912 41.2114 175.6524 83 T 4.4868 8.3736 115.6866 60.9184 69.3269 174.5878 84 V 3.5416 7.6756 121.1352 62.0775 31.5852 176.0574 85 A 3.9893 8.3842 125.2257 52.7898 19.4753 177.8039 86 T 4.3032 7.6015 109.8172 58.5529 68.4931 172.9449 87 P 4.2063 0.0000 0.0000 66.5284 31.7107 178.3656 88 I 3.5793 7.5316 117.7497 63.2641 37.7532 177.6299 89 W 4.4602 8.0384 120.1380 59.9494 28.8657 178.1000 90 D 4.4346 8.1778 118.4940 57.0549 40.3443 178.7024 91 V 3.6168 7.5750 118.3815 66.2649 31.4050 177.5979 92 Y 4.4496 8.4506 116.4631 61.2478 37.6772 178.4440 93 A 4.2007 8.5627 122.0102 55.3249 18.3832 179.9239 94 G 3.5947 8.3005 103.9932 48.0369 0.0000 175.9605 95 L 4.1161 7.8740 120.4925 57.4736 41.8629 179.4119 96 I 3.9082 8.0198 119.8527 64.3131 35.8559 178.1950 97 K 4.0515 8.4085 120.7302 59.8379 31.6534 178.4475 98 E 4.2264 7.9737 117.6116 58.8689 29.3836 177.4413 99 H 4.8031 7.6692 113.9376 55.6122 31.2227 173.9568 100 D 4.7227 8.5509 121.5089 52.7209 43.7870 176.5301 101 E 4.1055 9.0124 122.6767 58.9201 30.1934 175.2965 102 R 4.1213 8.7138 117.1994 57.6432 31.5245 178.9748 103 G 3.7761 7.8236 105.9034 45.8819 0.0000 176.4615 104 A 4.0001 8.8038 127.6634 54.9902 18.1029 179.6188 105 D 4.4500 8.1373 114.2418 56.5294 41.1049 177.0661 106 A 4.4315 8.3075 121.8494 52.6022 18.9670 176.4998 107 I 4.6626 7.5768 117.9606 59.5276 38.6944 175.3166 108 G 4.4480 8.6477 115.7796 45.1993 0.0000 171.8270 109 S 5.2933 8.2505 112.4914 57.4481 65.9472 173.6545 110 L 4.8804 8.5538 119.8862 52.6845 45.6430 176.3798 111 E 3.9808 9.0031 123.1280 56.2634 30.5970 177.2579 112 R 3.5162 8.7842 125.2152 60.0330 29.9344 178.7934 113 F 4.3036 8.4993 116.3112 60.2679 39.0157 177.5351 114 A 4.1350 8.4904 120.7414 55.0010 18.1012 179.4571 115 F 3.9832 8.6910 119.6681 61.6258 39.4742 176.8789 116 Y 4.6786 8.0654 116.3887 61.4797 37.5005 178.5577 117 E 4.0760 8.2448 118.1281 59.5801 29.8917 179.0067 118 Q 4.0517 8.3929 119.3785 59.0712 29.1266 177.9420 119 A 3.9787 8.3904 122.2204 55.0562 18.1699 179.6220 120 K 4.3398 7.9837 117.3184 58.3153 32.1654 178.1227 121 N 4.6965 7.8687 114.5748 52.3717 39.3588 175.2908 122 A 4.2951 7.1142 123.9754 52.0788 19.4174 177.1283 123 Y 4.3657 9.0858 122.9132 60.4920 40.1523 175.4575 124 C 5.0752 7.9787 118.0296 57.6513 35.7123 172.7705 125 V 4.6670 8.8863 125.6272 61.1966 34.0444 174.0511 126 I 4.6256 9.0316 129.3949 60.0300 38.6585 175.0614 127 A 4.7145 8.9203 131.5518 50.9011 18.2888 176.9321 128 S 4.4149 8.9670 117.3720 58.2176 65.6214 174.8244 129 G 4.5167 8.3663 104.3043 45.1687 0.0000 173.5140 130 E 4.2553 8.4947 123.1052 56.5534 30.0576 177.6214 131 S 4.5539 8.7715 119.7898 57.9635 64.4388 174.2549 132 A 4.0854 8.3927 124.7384 51.9836 18.6652 177.2353 133 Q 3.6879 8.3377 119.2022 57.3353 29.6572 176.6857 134 Y 3.6546 7.7018 120.2841 59.2334 35.1998 170.6310 135 A 4.7071 7.6875 119.0511 52.6270 20.4894 177.7701 136 N 4.7617 8.0197 113.6029 53.4153 39.5956 174.5934 137 L 4.8837 8.9770 124.4722 53.9088 45.9389 174.4957 138 I 4.7143 8.9226 127.7239 59.9589 39.2843 174.6776 139 L 5.1440 9.1220 126.2024 52.8988 45.2224 175.0412 140 Q 5.1346 8.8596 124.1229 54.0770 31.6805 174.4432 141 K 3.8052 9.2952 128.9223 56.4131 33.3270 176.5614 142 G 3.8622 8.3082 116.0224 45.4922 0.0000 172.9354 143 V 3.8199 7.9985 119.8297 61.1696 32.9640 176.5120 144 V 4.0180 7.6145 124.9367 61.1542 32.0614 175.7561 145 F 4.3580 8.6687 125.1513 57.8208 38.8894 175.6370 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 5 I 8.02 4.11 1.88 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 1.42 1.36 0.92 0.00 0.00 6 P 0.00 4.10 0.00 2.29 1.98 0.00 3.66 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 2.32 2.15 0.00 7 K 8.52 4.10 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 8 I 7.62 3.84 1.66 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 1.37 0.94 0.86 0.00 0.00 9 I 7.28 3.91 1.87 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 1.33 0.52 0.91 0.00 0.00 10 P 0.00 4.53 0.00 2.27 2.18 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 11 P 0.00 4.24 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 12 E 8.12 3.96 0.00 2.03 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 2.38 2.37 0.00 13 L 7.87 4.03 0.00 1.80 1.79 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.05 3.95 0.00 1.82 1.85 0.94 0.27 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 15 K 8.15 3.93 0.00 1.90 2.00 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.48 7.81 16 V 7.52 4.05 2.30 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 1.22 0.00 0.00 1.00 0.00 0.00 17 L 8.12 4.29 0.00 1.83 1.86 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.11 4.32 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.24 4.26 0.00 2.21 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 2.62 2.30 0.00 *21 G 7.73 3.55 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 0.00 0.00 0.00 22 H 8.46 4.32 0.00 2.86 3.04 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.02 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 24 D 7.90 4.58 0.00 2.72 2.58 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 0.00 25 Q 8.76 5.45 0.00 1.98 1.95 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 2.35 2.48 0.00 26 L 8.83 5.29 0.00 1.77 1.74 0.65 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.49 4.56 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.84 0.00 0.00 28 I 8.85 4.44 1.74 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.31 0.88 0.00 0.00 29 A 8.77 4.43 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.82 0.00 3.04 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 31 G 9.05 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 32 N 7.91 4.62 0.00 2.71 2.90 0.00 0.00 6.95 7.37 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 33 F 7.96 4.36 0.00 3.22 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.47 0.00 1.93 1.92 0.00 2.36 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.23 0.00 35 A 8.06 4.40 1.51 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 36 E 8.23 4.03 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 37 S 7.88 4.25 0.00 3.97 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 38 I 7.82 3.83 2.12 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 1.20 0.93 1.17 0.00 0.00 39 G 8.25 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 40 K 7.75 3.98 0.00 1.75 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.30 7.81 41 N 8.12 4.77 0.00 2.69 2.85 0.00 0.00 6.65 7.35 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 42 A 7.90 4.78 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 43 I 7.76 4.10 1.61 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.43 0.86 0.00 0.00 44 V 8.34 4.68 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 0.85 0.00 0.00 0.97 0.00 0.00 45 V 8.50 4.37 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 0.99 0.00 0.00 0.92 0.00 0.00 46 R 8.49 4.44 0.00 1.75 2.09 0.00 3.47 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 *48 D 8.67 4.61 0.00 2.63 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 49 G 8.16 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.01 5.29 0.00 3.18 3.24 0.00 5.61 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 51 G 9.01 4.37 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 0.00 52 G 8.93 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 53 G 8.29 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.20 4.02 0.00 2.22 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 2.54 2.42 0.00 55 I 7.76 3.64 1.87 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 1.38 0.74 0.85 0.00 0.00 56 L 8.22 3.89 0.00 1.63 1.87 0.75 0.53 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 57 K 8.09 3.95 0.00 1.89 1.72 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.34 7.81 58 A 7.97 4.34 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 59 I 7.99 3.62 1.69 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 1.71 0.74 0.47 0.00 0.00 60 L 7.90 4.01 0.00 1.56 1.50 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.55 4.11 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 1.33 0.00 0.00 62 V 7.92 4.28 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 0.72 0.00 0.00 1.08 0.00 0.00 63 F 7.97 4.62 0.00 2.90 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 64 P 0.00 4.52 0.00 2.07 2.11 0.00 3.35 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 65 L 8.48 4.72 0.00 1.61 1.71 0.97 1.22 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 66 D 8.71 4.55 0.00 2.98 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 67 T 8.90 4.43 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 1.35 0.00 0.00 68 Y 8.60 4.27 0.00 3.22 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.38 4.65 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 0.79 0.00 0.00 0.97 0.00 0.00 70 D 8.75 4.54 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 71 K 7.56 4.64 0.00 1.68 1.77 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.38 7.81 72 P 0.00 4.54 0.00 2.17 2.48 0.00 3.87 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 2.10 2.13 0.00 73 A 8.09 5.25 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.75 5.00 4.19 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 1.24 0.00 0.00 75 L 8.89 5.05 0.00 1.12 0.32 -0.32 0.79 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 *77 E 8.89 4.38 0.00 1.83 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 2.18 2.32 0.00 78 K 8.51 2.86 0.00 1.49 1.28 0.00 1.45 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 1.10 7.81 79 V 8.16 3.61 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 0.74 0.00 0.00 0.93 0.00 0.00 80 P 0.00 4.36 0.00 2.05 2.06 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 81 G 8.90 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 0.00 0.00 0.00 82 D 8.05 4.49 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 83 T 8.37 4.49 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 1.20 0.00 0.00 84 V 7.68 3.54 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 0.86 0.00 0.00 0.87 0.00 0.00 85 A 8.38 3.99 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 86 T 7.60 4.30 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 0.46 0.00 0.00 87 P 0.00 4.21 0.00 2.21 2.28 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 88 I 7.53 3.58 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.56 0.82 0.00 0.00 89 W 8.04 4.46 0.00 3.57 3.22 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 90 D 8.18 4.43 0.00 2.85 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 91 V 7.58 3.62 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 1.08 0.00 0.00 0.90 0.00 0.00 92 Y 8.45 4.45 0.00 3.19 2.89 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 0.00 0.00 0.00 0.00 93 A 8.56 4.20 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 94 G 8.30 3.59 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 0.00 0.00 0.00 95 L 7.87 4.12 0.00 1.90 1.82 1.09 0.93 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 96 I 8.02 3.91 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.95 0.00 0.00 97 K 8.41 4.05 0.00 2.01 2.03 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 98 E 7.97 4.23 0.00 2.12 1.91 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 2.34 2.56 0.00 99 H 7.67 4.80 0.00 3.32 3.36 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.55 4.72 0.00 2.66 2.57 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 0.00 101 E 9.01 4.11 0.00 2.03 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 0.00 2.23 1.91 0.00 102 R 8.71 4.12 0.00 2.00 2.02 0.00 3.25 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 103 G 7.82 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 0.00 0.00 0.00 104 A 8.80 4.00 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 0.00 105 D 8.14 4.45 0.00 2.87 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 0.00 106 A 8.31 4.43 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 4.66 1.89 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 1.21 0.66 0.76 0.00 0.00 108 G 8.65 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 0.00 109 S 8.25 5.29 0.00 3.74 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 0.00 110 L 8.55 4.88 0.00 1.77 1.67 0.93 0.82 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 0.00 111 E 9.00 3.98 0.00 2.00 1.89 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 0.00 2.43 2.33 0.00 112 R 8.78 3.52 0.00 1.67 1.62 0.00 3.03 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.02 0.00 113 F 8.50 4.30 0.00 3.39 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.49 4.13 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 0.00 0.00 115 F 8.69 3.98 0.00 3.17 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 0.00 116 Y 8.07 4.68 0.00 3.37 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 0.00 0.00 0.00 0.00 117 E 8.24 4.08 0.00 2.20 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 2.73 2.57 0.00 118 Q 8.39 4.05 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 119 A 8.39 3.98 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 0.00 120 K 7.98 4.34 0.00 2.01 1.93 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.60 7.81 121 N 7.87 4.70 0.00 2.87 2.86 0.00 0.00 6.94 6.74 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 0.00 122 A 7.11 4.30 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 0.00 123 Y 9.09 4.37 0.00 3.07 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 0.00 124 C 7.98 5.08 0.00 2.99 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 0.00 125 V 8.89 4.67 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 1.06 0.00 0.00 0.98 0.00 0.00 126 I 9.03 4.63 1.90 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 1.12 0.53 0.89 0.00 0.00 127 A 8.92 4.71 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 0.00 128 S 8.97 4.41 0.00 4.15 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 0.00 129 G 8.37 4.52 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 0.00 130 E 8.49 4.26 0.00 2.23 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 2.38 2.39 0.00 131 S 8.77 4.55 0.00 3.97 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 0.00 132 A 8.39 4.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.34 3.69 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 134 Y 7.70 3.65 0.00 3.39 3.40 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 0.00 135 A 7.69 4.71 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 0.00 136 N 8.02 4.76 0.00 2.24 2.70 0.00 0.00 6.65 7.85 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 0.00 137 L 8.98 4.88 0.00 1.54 1.22 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.92 4.71 1.70 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 0.83 -0.05 0.85 0.00 0.00 139 L 9.12 5.14 0.00 1.28 1.54 0.55 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.86 5.13 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 141 K 9.30 3.81 0.00 1.39 1.59 0.00 1.26 0.00 0.00 1.38 0.00 0.00 2.58 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.96 0.21 7.81 142 G 8.31 3.86 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 0.00 0.00 0.00 143 V 8.00 3.82 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.26 0.00 0.00 144 V 7.61 4.02 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 0.84 0.00 0.00 0.81 0.00 0.00 145 F 8.67 4.36 0.00 3.10 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.