NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4851 8.3349 115.4171 58.6675 64.2501 172.8721 -1 N 4.7685 8.5270 115.6264 52.6481 38.7837 173.5305 0 A 4.5812 8.4719 121.0856 49.8299 22.9879 176.7609 0 Q 4.6012 8.5519 117.0856 53.0299 33.2879 174.9609 3 I 3.8975 8.2697 120.5657 64.2341 38.0525 177.8126 4 K 3.8797 8.0793 120.0581 59.4244 31.9738 178.1812 5 E 3.9125 8.1388 119.0419 59.1997 29.6801 178.3181 6 L 3.8123 7.8711 119.6282 58.0557 42.1672 178.5216 7 A 4.3058 8.1395 122.3659 54.6827 18.0747 179.2819 8 E 3.8736 8.0361 116.7188 59.0541 29.7560 178.4388 9 L 4.0645 8.0206 120.1984 58.1080 42.3324 178.4209 10 T 4.2903 7.9077 107.0501 61.2216 69.5104 175.8840 11 G 3.8285 7.9130 108.9834 45.4289 0.0000 173.2540 12 V 3.9445 7.3242 120.3518 61.4120 32.5977 175.8890 13 S 4.4000 8.2592 121.9933 58.0083 65.0369 175.3098 14 V 3.4475 8.2201 122.5634 66.2596 31.1896 178.2302 15 R 3.8057 7.8408 117.7889 59.8569 29.8126 178.5228 16 T 3.7049 7.6384 115.3848 66.4472 68.3783 176.8518 17 L 3.8096 7.7720 120.9250 57.9453 41.5079 179.1736 18 H 4.2608 8.5699 116.6767 59.1509 28.6239 177.3003 19 H 4.2162 8.2625 119.9338 59.6626 29.7568 176.9767 20 Y 4.3316 8.2666 118.7135 60.9688 37.6719 178.2693 21 D 4.8208 8.2368 120.4419 56.8256 41.2365 177.9704 22 K 3.8444 8.0910 119.6884 59.4514 32.1494 177.5798 23 I 3.8719 7.7650 109.4028 61.5374 37.9196 176.6528 24 G 3.8865 8.0025 109.5477 45.6425 0.0000 174.2221 25 L 3.9474 7.7249 122.4206 56.6476 42.6056 176.3787 26 L 4.4643 8.1793 121.1481 53.3059 42.9290 174.4787 27 V 4.2972 8.0562 125.8980 59.9577 31.5715 173.3524 28 P 4.5979 0.0000 0.0000 61.9629 32.3850 176.2276 29 Q 4.2196 8.4566 119.2179 56.1350 30.0694 175.3205 30 K 4.9124 8.2653 120.1655 54.9283 34.2456 176.0676 31 D 4.5443 9.3244 124.7166 54.3003 41.6356 177.2089 32 D 4.3260 9.0396 125.5795 56.3994 41.2634 177.2598 33 W 4.5338 9.0297 118.6954 57.5218 29.9365 176.7150 34 N 4.8065 8.4306 111.6747 51.6729 37.9968 175.3565 35 G 4.0113 8.3426 107.1211 45.7496 0.0000 173.5598 36 Y 4.4260 8.8017 118.3156 57.6015 39.2219 175.7722 37 R 4.4300 8.6205 121.6202 56.5435 30.9205 176.1021 38 I 4.5887 8.4853 117.3098 59.3654 39.8025 174.3290 39 Y 4.8310 8.8211 125.2838 56.5471 39.2167 176.0950 40 S 4.5858 9.3776 119.5379 57.2564 64.7408 174.9934 41 E 4.0335 9.4102 120.6799 59.6284 28.9460 180.0625 42 K 4.0523 8.0447 118.0145 59.5017 32.1397 178.8649 43 D 4.4541 8.3345 119.2471 57.4722 40.7557 179.0949 44 V 3.5973 8.0296 118.6729 66.1293 31.5221 177.8860 45 D 4.4158 8.1965 118.7409 57.0706 40.5453 178.6489 46 K 3.9556 8.3156 120.3362 59.3952 32.1644 178.5475 47 L 3.9729 8.1789 120.7897 58.2017 41.9736 178.5797 48 Q 3.8731 8.0869 119.4772 59.4372 28.9641 178.3479 49 Q 4.1735 8.2309 120.4463 59.0770 29.0239 177.9383 50 I 3.8415 8.1922 121.3913 64.6005 37.1444 178.3396 51 L 4.0091 8.3158 119.9961 57.7493 41.2505 179.5522 52 F 4.2081 7.9892 117.7722 60.7009 38.8140 177.7615 53 F 4.0612 8.1768 117.3787 60.3834 38.6075 177.9585 54 K 4.1804 8.5312 118.4902 59.3600 31.6296 178.8516 55 E 4.0556 8.2870 118.9350 59.1244 29.5292 177.9594 56 L 4.5850 7.5509 116.3925 54.0488 41.8815 176.2313 57 D 4.6231 8.2708 117.4236 55.3962 38.7994 173.9421 58 F 4.3089 8.6263 118.1352 56.3012 39.7970 174.8848 59 P 4.5142 0.0000 0.0000 62.6191 33.2313 177.5293 60 L 3.9220 8.4826 119.4834 57.8567 41.5446 179.7168 61 K 3.8254 7.9468 119.1835 59.3553 32.0750 178.6447 62 K 3.8167 7.8102 119.3999 59.2676 32.1075 178.6275 63 I 3.0754 7.5185 120.1848 64.3184 36.9156 178.1723 64 Q 3.7696 8.0714 120.3447 59.0572 28.7024 178.1965 65 Q 3.8982 7.9093 119.0860 58.9719 28.5464 178.8691 66 I 3.6803 7.4323 119.4336 64.5821 37.2594 178.3725 67 L 3.1984 7.6233 118.2282 56.9664 41.4816 178.4533 68 D 4.5161 7.8945 116.9542 53.8966 41.5305 176.3513 69 D 4.4430 7.3645 121.2789 53.5104 41.6924 175.3279 70 P 4.2652 0.0000 0.0000 65.4342 31.4957 176.9851 71 L 4.4351 7.7187 115.6186 54.3047 41.6082 176.5370 72 F 4.1678 8.1786 122.5399 58.6533 39.6484 174.5595 73 D 4.3358 7.7408 125.7812 51.5261 43.3589 175.7829 74 K 3.4424 7.8623 128.8576 59.2915 32.3659 178.1373 75 N 4.2185 7.9476 116.2953 56.3345 38.3214 177.3859 76 V 3.5174 7.7271 117.9496 65.8039 31.6866 177.5624 77 A 4.1908 7.8681 119.7466 55.2010 18.4828 179.2163 78 L 4.1772 8.0247 119.1256 57.3195 41.6326 180.1047 79 D 4.4831 7.6823 114.9421 55.3109 40.5303 178.2343 *81 Q 4.1539 8.0353 121.1384 55.9900 30.9098 177.6941 82 R 3.8238 8.0201 117.7253 59.6236 30.0160 178.2489 83 H 4.1717 8.1206 115.9936 58.9524 28.7058 177.8103 84 L 4.0809 7.9094 120.2597 57.7661 41.5311 179.1988 85 L 4.0422 8.3286 120.6825 58.0395 41.9141 179.0882 86 I 3.7283 8.0485 120.1704 64.3646 37.0324 178.1939 87 E 3.9622 8.2716 119.5153 59.1652 29.2582 179.3459 88 K 3.9453 8.2643 119.7272 59.3418 32.2311 178.6486 89 K 3.9004 8.1973 119.9361 59.8426 32.1062 178.7450 90 Q 4.2282 8.2934 119.6876 58.3798 28.3480 178.7264 91 R 3.8614 7.9332 119.0819 59.4683 30.1818 178.3938 92 I 3.8464 7.6194 118.8166 64.2221 37.0661 177.9115 93 E 4.1558 8.4351 119.7945 59.5109 29.2425 180.1099 94 T 3.8820 7.7965 113.5739 64.0262 68.3769 176.2904 *96 L 4.1902 7.9805 123.1124 54.8129 43.9949 179.2245 97 A 3.9747 8.0325 120.2879 55.4833 18.1802 179.8448 98 T 3.7704 7.8490 114.2919 66.5882 68.4670 176.7200 99 L 3.9304 7.7563 121.8344 58.1861 42.3078 178.5955 100 D 4.3584 8.2186 118.9166 57.2865 40.6819 178.7396 101 L 3.9993 7.9226 119.5382 58.1265 41.5555 179.6453 102 T 3.8197 8.0212 115.7596 66.6684 67.8970 176.7503 103 I 3.7061 7.9068 121.7307 64.2553 37.2173 178.6574 104 K 4.0150 7.9563 119.0404 59.3512 31.7486 178.7171 105 N 4.4166 8.7971 117.7619 56.9713 38.6304 176.5330 106 E 3.9844 8.2558 119.1140 58.5526 29.7993 177.9516 107 K 4.3287 7.5258 115.2762 56.1021 32.5238 177.6463 108 G 3.9612 7.8098 107.5297 45.6585 0.0000 174.6217 109 E 4.1003 8.0290 120.6960 58.2655 29.5787 176.5790 110 I 4.7715 7.4074 109.7282 59.3163 41.2295 173.3619 111 T 5.2682 8.1770 109.5712 59.1392 71.1129 173.6629 *113 T 4.1741 8.0828 110.0689 61.9172 70.9529 174.0149 114 N 4.4376 8.7607 119.1346 56.5993 38.7633 177.0314 115 K 4.1696 8.1849 120.2897 59.8129 32.1565 178.4462 116 E 4.0066 8.2287 118.5924 59.3974 29.1494 179.5182 117 K 3.9813 7.9215 117.2390 58.2583 32.3766 177.7986 118 F 5.1414 7.7380 116.4160 57.2535 39.5546 175.1339 119 T 4.1626 7.5894 119.3176 65.0133 68.2856 174.5369 120 G 3.8305 8.9587 114.8409 45.2193 0.0000 173.2902 121 F 4.3310 7.4826 118.7450 56.5924 39.3588 174.7320 122 D 4.4358 7.9908 124.4869 52.7319 43.0377 174.6675 123 F 5.2132 8.5246 126.6041 57.1145 39.8238 176.2282 124 S 4.6795 7.9096 112.0084 57.8285 65.3379 175.1569 125 S 4.0708 8.3203 116.0508 61.2963 62.8556 174.0699 126 N 4.5368 7.9517 124.0833 50.8322 38.5823 173.5152 127 P 4.2362 0.0000 0.0000 64.7445 31.7885 176.7061 128 Y 4.3389 6.8180 115.7423 58.6504 38.2570 175.3463 129 E 4.1746 7.6591 121.6413 55.7824 30.4410 176.0029 130 E 4.4860 8.4602 124.9970 54.8907 32.0005 177.0500 131 E 3.8517 8.6294 123.5390 59.3709 29.7297 179.0384 132 A 3.1108 7.3979 120.3255 54.7770 18.2004 179.4137 133 R 3.9054 7.7427 115.7209 58.8220 30.2712 178.0201 134 K 4.2994 7.5420 119.0297 58.1788 32.5264 177.0965 135 L 4.8379 8.1529 114.4879 53.8715 43.6898 176.3138 136 W 5.0774 8.0889 120.2250 56.3556 31.3946 175.9669 137 G 3.8372 8.8551 109.2330 47.3275 0.0000 173.0541 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 S 8.33 4.49 0.00 4.02 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 -1 N 8.53 4.77 0.00 2.84 2.90 0.00 0.00 6.52 6.46 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 A 8.47 4.58 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 0 Q 8.55 4.60 0.00 1.85 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.77 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 3 I 8.27 3.90 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.92 0.00 0.00 4 K 8.08 3.88 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.56 7.81 5 E 8.14 3.91 0.00 2.11 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 2.38 2.38 0.00 6 L 7.87 3.81 0.00 1.57 1.53 0.76 -0.11 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 7 A 8.14 4.31 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 8 E 8.04 3.87 0.00 1.95 2.10 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 2.31 2.34 0.00 9 L 8.02 4.06 0.00 1.62 1.81 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.91 4.29 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 11 G 7.91 3.83 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 0.00 0.00 0.00 12 V 7.32 3.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.89 0.00 0.00 13 S 8.26 4.40 0.00 4.02 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 14 V 8.22 3.45 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.86 0.00 0.00 15 R 7.84 3.81 0.00 1.85 1.84 0.00 3.19 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 16 T 7.64 3.70 4.11 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 0.53 0.00 0.00 17 L 7.77 3.81 0.00 1.77 1.75 0.74 0.72 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 18 H 8.57 4.26 0.00 3.30 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.26 4.22 0.00 3.34 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.27 4.33 0.00 3.15 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 21 D 8.24 4.82 0.00 3.02 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 22 K 8.09 3.84 0.00 1.83 2.03 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 23 I 7.76 3.87 1.82 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 1.48 0.72 0.82 0.00 0.00 24 G 8.00 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 25 L 7.72 3.95 0.00 1.44 1.68 0.72 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.18 4.46 0.00 1.80 1.72 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.06 4.30 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 0.93 0.00 0.00 0.98 0.00 0.00 28 P 0.00 4.60 0.00 1.58 0.82 0.00 3.89 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 1.62 1.00 0.00 29 Q 8.46 4.22 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 30 K 8.27 4.91 0.00 1.61 1.73 0.00 1.95 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.34 7.81 31 D 9.32 4.54 0.00 2.92 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 32 D 9.04 4.33 0.00 2.45 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 0.00 0.00 0.00 0.00 33 W 9.03 4.53 0.00 3.32 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 34 N 8.43 4.81 0.00 2.49 2.76 0.00 0.00 6.06 7.00 0.00 0.00 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 8.34 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.80 4.43 0.00 3.01 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 37 R 8.62 4.43 0.00 1.69 1.48 0.00 3.22 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 38 I 8.49 4.59 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.99 0.00 0.00 39 Y 8.82 4.83 0.00 2.90 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 40 S 9.38 4.59 0.00 4.16 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 41 E 9.41 4.03 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 42 K 8.04 4.05 0.00 1.84 1.90 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.56 7.81 43 D 8.33 4.45 0.00 3.14 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 44 V 8.03 3.60 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 1.04 0.00 0.00 1.01 0.00 0.00 45 D 8.20 4.42 0.00 2.95 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 46 K 8.32 3.96 0.00 1.94 2.00 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.42 7.81 47 L 8.18 3.97 0.00 1.83 1.82 1.10 0.63 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 48 Q 8.09 3.87 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 49 Q 8.23 4.17 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 50 I 8.19 3.84 2.06 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 1.42 0.54 0.78 0.00 0.00 51 L 8.32 4.01 0.00 1.60 1.56 0.85 1.05 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 52 F 7.99 4.21 0.00 3.06 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 53 F 8.18 4.06 0.00 3.18 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.53 4.18 0.00 1.99 1.95 0.00 1.92 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.71 1.73 7.81 55 E 8.29 4.06 0.00 1.98 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 2.42 2.51 0.00 56 L 7.55 4.58 0.00 2.09 2.12 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.27 4.62 0.00 2.98 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 58 F 8.63 4.31 0.00 3.18 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 59 P 0.00 4.51 0.00 2.24 2.19 0.00 3.54 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 60 L 8.48 3.92 0.00 1.71 1.68 1.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.95 3.83 0.00 1.83 1.75 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.50 7.81 62 K 7.81 3.82 0.00 1.63 1.74 0.00 1.47 0.00 0.00 1.52 0.00 0.00 2.44 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.57 1.36 7.81 63 I 7.52 3.08 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.56 0.70 0.00 0.00 64 Q 8.07 3.77 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 65 Q 7.91 3.90 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 66 I 7.43 3.68 1.62 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.45 1.01 0.00 0.00 67 L 7.62 3.20 0.00 1.33 1.33 0.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.89 4.52 0.00 2.67 2.65 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 69 D 7.36 4.44 0.00 2.85 2.79 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 70 P 0.00 4.27 0.00 2.10 2.13 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 2.04 2.13 0.00 71 L 7.72 4.44 0.00 2.07 1.71 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.18 4.17 0.00 3.12 3.06 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 73 D 7.74 4.34 0.00 2.54 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 0.00 0.00 0.00 0.00 74 K 7.86 3.44 0.00 1.84 1.70 0.00 1.93 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.80 7.81 75 N 7.95 4.22 0.00 2.86 2.78 0.00 0.00 6.78 7.68 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 76 V 7.73 3.52 2.10 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 0.80 0.00 0.00 0.92 0.00 0.00 77 A 7.87 4.19 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.18 0.00 1.72 1.57 0.86 0.76 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 79 D 7.68 4.48 0.00 2.84 2.65 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 *81 Q 8.04 4.15 0.00 1.95 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 1.53 2.10 0.00 82 R 8.02 3.82 0.00 1.74 1.92 0.00 2.97 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 83 H 8.12 4.17 0.00 3.25 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.91 4.08 0.00 1.93 1.86 1.26 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.33 4.04 0.00 1.84 1.62 1.01 1.18 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 86 I 8.05 3.73 2.01 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 1.51 0.54 0.92 0.00 0.00 87 E 8.27 3.96 0.00 2.25 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 2.35 2.54 0.00 88 K 8.26 3.95 0.00 1.89 2.02 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.50 7.81 89 K 8.20 3.90 0.00 1.88 1.98 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 90 Q 8.29 4.23 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 91 R 7.93 3.86 0.00 1.79 2.13 0.00 3.21 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 1.58 1.70 0.00 92 I 7.62 3.85 2.00 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 1.53 0.82 0.91 0.00 0.00 93 E 8.44 4.16 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 94 T 7.80 3.88 4.32 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 1.13 0.00 0.00 *96 L 7.98 4.19 0.00 1.86 1.73 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.03 3.97 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 98 T 7.85 3.77 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 1.16 0.00 0.00 99 L 7.76 3.93 0.00 1.72 1.80 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.22 4.36 0.00 2.88 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 0.00 101 L 7.92 4.00 0.00 1.85 1.69 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.02 3.82 4.39 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 1.19 0.00 0.00 103 I 7.91 3.71 2.03 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 1.52 1.25 0.91 0.00 0.00 104 K 7.96 4.01 0.00 2.02 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.57 7.81 105 N 8.80 4.42 0.00 2.89 2.97 0.00 0.00 6.88 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 0.00 106 E 8.26 3.98 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 107 K 7.53 4.33 0.00 1.95 1.83 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.57 7.81 108 G 7.81 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 0.00 109 E 8.03 4.10 0.00 2.01 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 2.34 2.24 0.00 110 I 7.41 4.77 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.91 0.00 0.00 111 T 8.18 5.27 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *113 T 8.08 4.17 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 1.27 0.00 0.00 114 N 8.76 4.44 0.00 2.80 3.10 0.00 0.00 6.87 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 0.00 115 K 8.18 4.17 0.00 1.88 1.86 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.60 7.81 116 E 8.23 4.01 0.00 2.29 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 117 K 7.92 3.98 0.00 1.76 1.35 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.60 7.81 118 F 7.74 5.14 0.00 3.23 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.59 4.16 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 1.18 0.00 0.00 120 G 8.96 3.83 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 0.00 0.00 0.00 121 F 7.48 4.33 0.00 3.28 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 0.00 122 D 7.99 4.44 0.00 2.43 2.39 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 0.00 123 F 8.52 5.21 0.00 3.11 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 0.00 124 S 7.91 4.68 0.00 4.02 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 0.00 125 S 8.32 4.07 0.00 4.00 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 0.00 126 N 7.95 4.54 0.00 2.84 2.76 0.00 0.00 6.84 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.24 0.00 1.77 1.89 0.00 3.32 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 0.61 1.54 0.00 128 Y 6.82 4.34 0.00 2.76 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 0.00 129 E 7.66 4.17 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 130 E 8.46 4.49 0.00 1.95 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 2.31 2.24 0.00 131 E 8.63 3.85 0.00 2.00 1.77 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 2.38 2.41 0.00 132 A 7.40 3.11 0.59 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 0.00 133 R 7.74 3.91 0.00 1.80 2.09 0.00 3.26 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 134 K 7.54 4.30 0.00 1.89 1.97 0.00 1.83 0.00 0.00 1.98 0.00 0.00 3.43 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.72 1.70 7.81 135 L 8.15 4.84 0.00 1.84 1.62 0.17 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 136 W 8.09 5.08 0.00 3.31 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 0.00 137 G 8.86 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 * Residues marked with a * may have inaccurate shift predictions.