NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5044 8.3044 120.6242 55.1136 33.3558 174.6282 2 K 4.2333 8.7591 128.3644 55.6266 33.3205 172.5791 3 E 4.7704 9.0027 128.0077 54.5503 33.4934 173.8327 4 V 4.3932 8.6055 127.1666 61.4362 32.7045 175.3323 5 I 4.6272 8.6129 125.8426 59.6834 39.0487 175.0713 6 F 5.1953 8.5630 127.6524 57.2044 42.4456 173.3816 7 T 4.3073 8.5925 119.6495 60.0601 70.3400 174.4914 8 E 3.8358 8.3849 126.8335 58.8654 29.6995 177.5068 9 N 4.5556 7.6855 113.9504 53.5358 38.6282 174.3624 10 A 4.7551 7.2398 120.5600 49.0191 22.3398 174.4454 11 P 4.3046 0.0000 0.0000 62.6135 31.7870 177.0335 12 K 4.2820 8.5933 123.2739 55.6468 32.6153 174.7930 13 P 4.2711 0.0000 0.0000 61.5006 31.6597 175.7045 14 I 3.9884 8.3336 125.1686 62.5047 37.2542 174.0652 15 G 3.8319 8.5595 111.0766 43.1237 0.0000 171.7494 16 P 4.6457 0.0000 0.0000 61.2653 29.3347 174.5195 17 Y 4.8749 7.0153 117.4486 56.8088 41.2567 174.4262 18 S 4.7695 8.3406 115.9959 56.4871 66.0135 174.5832 19 Q 4.4034 8.7798 120.7772 59.3290 29.5856 176.2340 20 A 4.9605 7.5217 117.0008 51.3770 22.7359 175.2494 21 I 4.9543 8.5806 120.0707 59.3960 41.2341 174.6449 22 K 5.0377 9.4675 128.6561 54.9684 33.9284 174.9212 23 A 4.8487 9.2467 130.8867 50.2514 21.0757 175.3644 24 G 3.9980 9.0484 112.9348 47.9614 0.0000 173.4763 25 N 4.7462 8.9613 121.8886 53.0520 38.9430 173.7146 26 F 5.4913 8.3592 118.3452 55.8242 41.8434 174.4412 27 L 5.0710 8.9468 124.6192 53.2475 44.9218 174.9058 28 F 4.9459 9.5547 125.5077 55.9392 41.1421 174.3767 29 I 4.8291 8.3902 125.5380 59.4698 38.7314 175.8311 30 A 4.3627 8.9778 129.6699 51.5712 19.2129 177.4872 31 G 3.7842 8.7129 107.2369 47.3202 0.0000 172.7665 32 Q 5.0494 9.3439 124.3695 54.0682 31.5762 174.7754 33 I 4.9503 8.1272 115.2151 57.2847 41.0276 174.7686 34 P 4.5897 0.0000 0.0000 62.4063 29.8755 175.9882 35 I 4.5432 7.4377 118.1212 61.0292 39.0955 175.7857 36 D 4.6788 8.4950 124.6156 51.8710 40.6778 174.8623 37 P 4.3607 0.0000 0.0000 65.8393 31.1686 177.6877 38 K 4.0734 8.3421 119.0016 58.7323 32.2560 177.2095 39 T 4.2433 7.5791 106.8598 60.9080 69.8953 175.8236 40 G 3.9202 8.8061 109.3652 45.5138 0.0000 172.6537 41 E 4.7757 7.6765 118.4291 53.7013 32.5561 175.6348 42 I 4.2616 8.0263 121.0109 61.6766 37.6214 177.3847 43 V 3.7187 8.5593 117.6705 63.7250 32.3358 177.4990 *45 G 3.8613 7.6243 107.2328 45.4967 0.0000 171.4293 46 D 4.7957 8.3811 120.0233 52.5662 43.4619 177.1915 47 I 3.6813 8.5196 129.5172 65.1590 37.8564 178.2180 48 K 4.0989 8.4005 123.6861 59.9650 31.4930 180.1900 49 D 4.7663 7.5922 119.2480 57.0073 40.9767 178.9943 50 Q 4.0444 8.6401 119.1328 59.1150 28.6263 178.5294 51 T 4.0131 8.5502 114.4086 64.6392 67.3613 176.4236 52 R 3.9871 7.6060 119.7606 59.1296 30.0396 178.1728 53 Q 3.9443 8.2438 119.5592 59.0801 29.1069 178.1776 54 V 3.5695 7.8074 119.3146 66.1238 31.5696 178.0620 55 L 3.8507 7.6063 118.3265 57.5207 41.1786 179.3658 56 E 3.9216 7.9849 118.6711 59.2849 29.3842 178.9890 57 N 4.2730 8.3412 116.7311 56.4507 38.6517 177.2470 58 I 3.6636 7.7119 121.0104 64.4267 37.2607 178.3319 59 K 3.8404 8.0581 119.8818 59.4050 32.1549 178.4176 60 A 3.9843 8.1668 121.2125 55.3774 17.9582 179.7301 61 I 3.6168 7.7104 118.0217 64.3990 37.1121 178.4193 62 L 4.0100 7.9564 119.8334 58.2229 41.0873 179.7088 63 E 4.0902 8.3336 117.8422 59.1953 29.1509 179.0213 64 A 4.1005 7.8120 118.9512 53.8603 18.4810 178.3042 65 A 4.6213 7.4391 116.4745 51.5074 20.1811 177.5518 66 G 4.1161 7.8336 105.4872 46.0966 0.0000 172.6448 67 Y 4.7757 8.2070 116.9850 55.6672 41.3035 174.7672 68 S 4.7524 8.4375 113.4712 56.4635 66.5082 175.0362 69 L 3.7828 8.5056 120.7242 57.8989 41.4193 179.6071 70 N 4.5466 7.9854 114.5547 55.7191 38.9732 175.8812 71 D 4.5282 8.7356 118.4894 56.0541 41.3535 176.6860 72 V 4.1733 7.3252 118.5855 63.6057 31.8196 175.1653 73 I 4.5124 9.1074 120.6998 61.3200 40.3554 175.4926 74 K 5.0496 7.8973 123.1159 54.7036 35.9100 175.0365 75 V 4.9133 8.9035 126.3042 61.3777 35.3105 174.1578 76 T 4.7897 9.2100 123.6608 61.8125 71.5699 172.9768 77 V 4.4850 8.5479 127.9810 61.4341 33.5153 173.8999 78 Y 5.0114 9.4123 126.8870 56.4948 39.7813 175.0885 79 L 5.2330 9.3918 126.5356 52.8726 45.7248 177.4107 80 K 4.8873 8.0870 119.4288 53.6686 32.8741 176.8211 81 D 4.3228 7.9896 117.9157 56.3120 37.1818 173.2510 *85 F 4.3722 7.2934 117.6104 56.4543 40.0110 177.0265 86 A 4.4259 8.6077 120.3985 54.8800 18.2860 178.9085 87 K 4.6231 7.4996 119.5132 54.9241 30.6165 181.7867 88 M 4.6046 7.8427 115.3519 56.3764 31.6564 176.5805 89 N 4.8430 7.4948 117.7418 53.6054 40.8751 172.8727 90 E 4.2203 9.0748 122.3141 58.3184 29.1722 177.6148 91 V 3.7114 7.8144 115.8861 66.1954 31.9774 176.7713 92 Y 4.2495 7.7508 118.1456 60.6680 38.3802 177.9725 93 A 4.2055 8.2310 121.4001 55.2833 18.4440 179.0877 94 E 4.1075 7.8395 113.3523 58.6009 29.6079 177.7484 95 Y 4.2815 7.3813 115.6904 58.7434 40.2486 176.8735 96 F 4.6689 8.5494 119.6019 55.0863 36.4236 175.1737 97 G 4.1121 7.3846 107.0186 45.1856 0.0000 172.1054 98 E 3.9912 9.5011 123.3341 56.0818 27.6028 173.9586 99 S 4.3567 7.1544 110.9706 57.8326 65.1132 174.1333 100 K 3.9575 8.2108 121.7366 54.9353 28.7711 174.5355 101 P 4.8095 0.0000 0.0000 61.9608 33.2859 177.3495 102 A 4.2620 8.8601 122.1417 52.0358 19.3317 176.7342 103 R 4.9802 8.3373 119.9334 54.5104 33.9106 174.4734 104 V 4.4845 8.4898 122.9317 61.0379 34.8108 174.0964 105 A 5.1067 8.4012 127.8338 50.5421 22.3224 175.2153 106 V 4.4586 8.3825 112.3897 60.1999 37.0779 173.4760 107 E 5.0206 8.7164 121.6712 55.0846 31.5809 176.4012 108 V 3.8462 9.2503 119.6637 60.0690 34.1485 176.3415 109 S 4.2359 8.9639 118.4716 59.7460 62.9299 174.3853 110 R 4.6755 7.7426 123.0631 54.6413 33.6983 174.8869 111 L 4.7624 7.5690 122.7379 51.7614 44.4426 174.4530 112 P 4.3456 0.0000 0.0000 64.8960 31.4898 177.2225 113 K 3.8102 9.5012 123.8022 55.4246 29.1349 173.8391 114 D 4.3396 8.5186 121.2344 53.1865 40.7203 172.4691 115 V 3.3333 8.5054 118.3561 62.5813 32.7968 171.3623 116 L 4.6845 8.8810 122.6385 54.7513 42.6699 176.3273 117 I 4.6396 7.2978 116.5943 60.0525 41.0137 172.9189 118 E 4.9667 9.3851 129.1638 54.6273 33.1537 174.0065 119 I 5.2852 8.8289 127.1797 59.4504 40.9603 174.2234 120 E 5.2087 9.3442 124.3872 54.7853 32.6765 174.7591 121 A 5.1937 8.3177 121.7141 50.8674 23.5420 174.9803 122 I 4.9062 9.0101 119.9632 59.4129 40.7598 174.8194 123 A 5.3214 8.7722 126.6775 50.3975 22.8276 174.1677 124 Y 5.1861 8.8123 119.6921 55.9377 42.2451 175.0895 125 K 3.9736 7.4369 126.3416 55.0758 35.3505 175.5741 126 E 3.8245 8.2322 126.1359 56.5798 29.4767 176.6521 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 1 M 8.30 4.50 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 2 K 8.76 4.23 0.00 1.91 1.72 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 E 9.00 4.77 0.00 2.09 1.78 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 2.25 2.29 0.00 4 V 8.61 4.39 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 0.78 0.00 0.00 0.96 0.00 0.00 5 I 8.61 4.63 1.99 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 1.26 0.91 0.93 0.00 0.00 6 F 8.56 5.20 0.00 2.95 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 7 T 8.59 4.31 4.09 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 1.13 0.00 0.00 8 E 8.38 3.84 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 9 N 7.69 4.56 0.00 2.67 2.80 0.00 0.00 6.68 7.05 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 10 A 7.24 4.76 1.11 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 0.00 0.00 11 P 0.00 4.30 0.00 2.11 2.06 0.00 3.84 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 2.06 2.13 0.00 12 K 8.59 4.28 0.00 1.81 1.83 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.77 1.53 7.81 13 P 0.00 4.27 0.00 1.19 1.56 0.00 3.56 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 14 I 8.33 3.99 1.94 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 1.37 0.47 0.94 0.00 0.00 15 G 8.56 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 16 P 0.00 4.65 0.00 2.23 2.13 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 17 Y 7.02 4.87 0.00 3.12 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 18 S 8.34 4.77 0.00 3.92 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 19 Q 8.78 4.40 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 20 A 7.52 4.96 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 21 I 8.58 4.95 1.95 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 1.18 1.01 0.95 0.00 0.00 22 K 9.47 5.04 0.00 1.83 1.88 0.00 1.79 0.00 0.00 2.02 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.54 7.81 23 A 9.25 4.85 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 24 G 9.05 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 25 N 8.96 4.75 0.00 2.62 2.46 0.00 0.00 6.75 8.13 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 26 F 8.36 5.49 0.00 3.52 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 27 L 8.95 5.07 0.00 0.77 0.94 0.82 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.55 4.95 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.39 4.83 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.96 0.00 0.00 30 A 8.98 4.36 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 31 G 8.71 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 32 Q 9.34 5.05 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 33 I 8.13 4.95 1.89 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 1.43 0.70 0.92 0.00 0.00 34 P 0.00 4.59 0.00 2.26 2.51 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 35 I 7.44 4.54 1.90 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 1.32 0.61 0.96 0.00 0.00 36 D 8.50 4.68 0.00 2.77 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 37 P 0.00 4.36 0.00 2.19 2.17 0.00 3.83 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 1.99 2.12 0.00 38 K 8.34 4.07 0.00 1.74 2.07 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.43 7.81 39 T 7.58 4.24 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 1.29 0.00 0.00 40 G 8.81 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 41 E 7.68 4.78 0.00 2.06 1.84 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 2.22 2.41 0.00 42 I 8.03 4.26 1.88 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 1.43 0.75 0.98 0.00 0.00 43 V 8.56 3.72 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 0.77 0.00 0.00 1.00 0.00 0.00 *45 G 7.62 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 46 D 8.38 4.80 0.00 2.80 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 47 I 8.52 3.68 1.89 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 1.52 0.87 0.93 0.00 0.00 48 K 8.40 4.10 0.00 1.80 1.81 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 49 D 7.59 4.77 0.00 3.01 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 50 Q 8.64 4.04 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 51 T 8.55 4.01 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 52 R 7.61 3.99 0.00 2.19 2.16 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 53 Q 8.24 3.94 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 54 V 7.81 3.57 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 1.06 0.00 0.00 0.98 0.00 0.00 55 L 7.61 3.85 0.00 1.42 0.44 0.92 1.23 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 56 E 7.98 3.92 0.00 2.16 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 0.00 2.57 2.55 0.00 57 N 8.34 4.27 0.00 2.90 3.01 0.00 0.00 7.04 8.11 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 58 I 7.71 3.66 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.80 0.94 0.00 0.00 59 K 8.06 3.84 0.00 1.86 1.95 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 60 A 8.17 3.98 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 61 I 7.71 3.62 2.02 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 1.50 1.28 0.90 0.00 0.00 62 L 7.96 4.01 0.00 1.85 1.79 0.91 0.76 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 63 E 8.33 4.09 0.00 2.02 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 2.33 2.33 0.00 64 A 7.81 4.10 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 65 A 7.44 4.62 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 66 G 7.83 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.21 4.78 0.00 2.97 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 68 S 8.44 4.75 0.00 3.90 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 69 L 8.51 3.78 0.00 1.56 1.35 0.90 0.38 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 70 N 7.99 4.55 0.00 2.68 2.88 0.00 0.00 6.95 8.06 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 71 D 8.74 4.53 0.00 3.00 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 72 V 7.33 4.17 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.07 0.00 0.00 73 I 9.11 4.51 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 1.12 0.00 0.00 74 K 7.90 5.05 0.00 1.82 1.63 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 75 V 8.90 4.91 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 0.88 0.00 0.00 0.91 0.00 0.00 76 T 9.21 4.79 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 0.64 0.00 0.00 77 V 8.55 4.48 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 0.91 0.00 0.00 0.78 0.00 0.00 78 Y 9.41 5.01 0.00 3.05 2.84 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 79 L 9.39 5.23 0.00 1.52 1.54 0.95 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 80 K 8.09 4.89 0.00 1.74 1.63 0.00 1.82 0.00 0.00 2.36 0.00 0.00 2.92 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 0.95 7.81 81 D 7.99 4.32 0.00 2.84 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 *85 F 7.29 4.37 0.00 2.23 2.25 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 86 A 8.61 4.43 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 87 K 7.50 4.62 0.00 1.69 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.22 7.81 88 M 7.84 4.60 0.00 2.25 2.35 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 89 N 7.49 4.84 0.00 2.72 2.87 0.00 0.00 6.90 9.01 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 90 E 9.07 4.22 0.00 2.19 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 2.28 2.25 0.00 91 V 7.81 3.71 2.25 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 1.12 0.00 0.00 1.02 0.00 0.00 92 Y 7.75 4.25 0.00 3.42 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 93 A 8.23 4.21 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 94 E 7.84 4.11 0.00 1.95 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 2.36 2.14 0.00 95 Y 7.38 4.28 0.00 3.13 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 96 F 8.55 4.67 0.00 3.12 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 97 G 7.38 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 0.00 0.00 0.00 0.00 98 E 9.50 3.99 0.00 2.09 2.22 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 2.15 2.27 0.00 99 S 7.15 4.36 0.00 3.88 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 0.00 100 K 8.21 3.96 0.00 2.06 1.67 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.23 7.81 101 P 0.00 4.81 0.00 2.14 2.45 0.00 3.94 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 102 A 8.86 4.26 1.30 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 0.00 103 R 8.34 4.98 0.00 1.58 1.58 0.00 2.80 0.00 0.00 2.66 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 104 V 8.49 4.48 1.94 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 0.79 0.00 0.00 0.87 0.00 0.00 105 A 8.40 5.11 1.05 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 0.00 106 V 8.38 4.46 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 0.55 0.00 0.00 0.91 0.00 0.00 107 E 8.72 5.02 0.00 1.81 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 2.19 2.28 0.00 108 V 9.25 3.85 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 0.99 0.00 0.00 1.04 0.00 0.00 109 S 8.96 4.24 0.00 3.85 3.75 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 0.00 110 R 7.74 4.68 0.00 1.71 1.74 0.00 3.18 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 111 L 7.57 4.76 0.00 2.34 1.46 1.00 1.04 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 0.00 112 P 0.00 4.35 0.00 2.01 1.98 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 113 K 9.50 3.81 0.00 1.92 1.73 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 0.97 7.81 114 D 8.52 4.34 0.00 2.96 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 0.00 115 V 8.51 3.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.03 0.00 0.00 116 L 8.88 4.68 0.00 1.64 1.69 0.93 0.78 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 0.00 117 I 7.30 4.64 1.91 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 1.29 0.69 0.95 0.00 0.00 118 E 9.39 4.97 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 119 I 8.83 5.29 1.94 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 1.33 0.72 0.99 0.00 0.00 120 E 9.34 5.21 0.00 2.10 2.22 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 2.28 2.30 0.00 121 A 8.32 5.19 1.30 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 0.00 122 I 9.01 4.91 1.82 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 0.88 0.65 0.61 0.00 0.00 123 A 8.77 5.32 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 0.00 124 Y 8.81 5.19 0.00 2.61 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 0.00 125 K 7.44 3.97 0.00 1.18 0.77 0.00 1.47 0.00 0.00 1.24 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 1.04 7.81 126 E 8.23 3.82 0.00 1.87 1.75 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 2.31 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.