NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-15 H 4.6291 8.4293 120.3793 55.8709 31.2929 172.6337 *-14 H 4.5281 7.9172 112.8025 52.2231 29.8809 172.4805 *-13 H 4.7285 9.1793 117.6187 53.9124 31.1907 174.5279 *-12 H 4.8840 8.5246 119.8921 54.2442 31.2838 172.3207 -11 S 4.4999 8.0075 124.8110 57.2567 67.3453 174.0562 -10 S 4.6489 9.2931 115.7694 57.3137 67.6458 176.3602 -9 G 3.6029 5.6435 108.7233 45.5551 0.0000 175.7196 *-4 Y 3.6908 8.7251 116.7269 56.8938 39.2653 174.1943 -3 F 4.8235 7.4799 121.6912 58.8613 38.2172 175.4913 -2 Q 4.2509 8.0446 121.2534 57.9097 30.3148 177.5427 -1 G 3.9887 7.8208 106.0461 45.0789 0.0000 174.5037 *-15 H 4.6291 8.4293 120.3793 55.8709 31.2929 172.6337 *-13 D 4.6385 9.0993 119.8187 53.1124 43.2907 176.7279 *-12 K 4.4740 8.3946 122.0921 55.4442 35.3838 174.8207 -11 K 4.3499 7.9875 129.5110 55.1567 36.6453 176.0562 -10 S 4.6489 9.2931 115.7694 57.3137 67.6458 176.3602 -9 L 3.9829 5.6200 121.7233 55.5551 38.7253 178.4196 7 Y 4.0228 8.2618 116.1711 60.6691 37.8722 178.2068 8 K 3.9783 8.2481 120.1532 59.7135 32.0188 177.7252 9 Y 4.2428 8.1981 119.1318 60.9791 38.6441 178.0676 10 L 3.7248 7.9810 119.0353 57.8341 41.4017 179.4842 11 L 4.0710 8.2936 119.1859 57.5414 41.5223 179.6726 12 L 3.9826 8.0500 119.0253 57.9131 41.3678 179.4913 13 R 3.7293 7.9626 118.3382 59.4512 29.7244 178.9368 14 S 4.5158 8.2560 113.2325 59.8028 62.9825 174.9957 15 T 4.4491 7.2851 110.9232 61.5676 68.6655 174.9787 16 G 3.9183 7.8445 107.5653 45.9331 0.0000 173.7364 17 D 4.4628 7.7314 120.0030 52.8169 40.8516 175.4120 *19 H 4.5857 8.3504 121.6907 54.7320 29.6610 173.2367 20 R 3.9002 8.5713 120.9296 56.2543 30.4290 176.1927 21 A 4.3853 8.5749 127.0799 52.9645 18.8932 176.8858 22 K 4.8974 8.5448 120.8913 54.4264 36.3551 176.3778 23 S 4.5008 8.6564 117.9717 57.3268 63.9715 172.3601 24 P 4.6215 0.0000 0.0000 63.4212 31.5732 175.2032 25 T 4.5335 8.6721 109.8832 63.2098 71.6342 174.2485 26 I 4.4522 7.0765 114.4178 60.2177 38.7882 178.1613 *28 T 4.1427 8.5539 117.4270 63.1452 69.7977 171.4416 29 R 3.8481 8.6835 127.0752 55.8613 29.6589 176.3014 30 V 3.8542 8.3712 121.2588 63.3429 30.8377 175.8720 31 T 4.4710 7.2052 112.4233 60.3248 70.4844 173.1188 32 N 4.3695 8.8873 121.2811 56.4511 38.6342 174.6776 33 N 5.0983 8.4463 111.8648 52.4844 41.6927 174.1228 34 V 4.7437 7.3428 119.8402 61.4228 33.5749 174.1194 35 Y 5.2995 9.6194 125.4814 56.1632 41.4601 174.1790 36 L 5.1941 8.9088 125.1850 53.8170 44.5862 175.6709 37 G 4.2914 8.7399 111.6563 46.0832 0.0000 170.5908 38 N 5.6699 9.2816 117.8946 50.9732 40.3163 174.8500 39 Y 3.7879 8.8484 119.5428 61.0734 38.9101 177.8595 40 K 3.9106 8.4192 118.5856 59.9222 32.1336 177.5683 41 N 4.4214 8.7874 115.0922 56.2107 38.7985 178.2892 42 A 3.8265 7.4258 120.1547 52.2843 17.8629 178.4947 *44 D 4.4678 8.1176 119.4539 55.0776 43.2284 177.5137 45 A 3.9891 7.7589 123.4730 54.8568 18.5446 178.1546 46 P 4.2614 0.0000 0.0000 66.0134 31.3571 177.7587 47 S 4.3777 7.5640 109.8890 59.1442 62.9387 174.5533 48 S 4.4012 7.6156 115.6917 57.6418 62.7844 173.8849 49 E 4.0176 8.6602 124.4848 59.1717 29.4581 178.2332 50 V 3.4783 7.4284 118.6573 62.4446 31.7745 176.4261 51 K 4.2222 8.0681 127.6117 55.3424 30.5295 175.1481 52 F 4.5053 8.1679 121.0980 57.0841 40.0699 175.4863 53 K 4.2305 8.7428 126.1349 57.6911 33.8872 175.7497 54 Y 5.5279 8.0677 115.8166 56.1189 42.3183 174.9246 55 V 4.7908 8.6716 121.2210 61.2103 35.3573 173.8480 56 L 4.7635 9.6261 131.2788 53.7701 43.4307 174.4823 57 N 4.9048 9.1103 127.3891 52.2793 40.2986 174.8107 58 L 5.4906 8.6804 125.5603 52.9133 43.1972 176.7486 59 T 4.6301 8.3463 119.3880 61.1460 67.3904 176.9100 *61 D 4.4575 8.6620 119.1783 53.4601 41.5843 174.8523 62 K 3.9137 8.6192 125.5925 56.5161 32.8909 175.1566 63 Y 4.9841 7.5972 121.9915 55.6854 41.1423 173.9314 64 T 4.6011 8.4472 109.6795 59.7414 71.5553 173.2834 65 L 4.7338 8.0847 122.4577 53.1395 44.3187 174.2187 66 P 3.4512 0.0000 0.0000 64.4118 31.1633 177.4187 67 N 4.8887 9.0304 126.1073 51.2669 37.6907 174.5040 68 S 4.7406 7.8507 118.7470 56.9352 66.4202 174.8643 69 N 4.4453 8.8062 119.1424 55.8339 38.7152 175.8707 70 I 3.7272 6.8158 117.3657 61.7495 38.0926 174.9993 71 N 4.6015 9.2936 125.9879 52.6991 40.1815 174.0637 72 I 4.6219 8.1656 128.1451 59.1230 37.0354 174.8229 73 I 3.8246 8.0990 127.9777 61.2540 38.3788 174.1639 74 H 5.2130 8.7033 126.4133 54.6421 32.0826 173.7556 75 I 4.5036 8.8683 126.7157 58.4570 39.0766 171.4446 76 P 4.8949 0.0000 0.0000 62.0039 31.9044 175.9450 77 L 4.8397 8.4428 123.4765 52.7418 45.3281 176.0494 78 V 4.1699 8.3267 120.9871 61.8042 32.7276 176.4360 79 D 4.7637 8.4817 128.3228 52.6082 39.5297 174.0077 80 D 4.5663 7.5762 121.3045 52.2783 42.5711 176.0169 81 T 4.3621 8.3768 108.1563 61.9452 68.8148 175.0633 82 T 4.4353 8.1579 111.5006 61.8340 69.8327 174.2966 83 T 4.5059 7.7836 112.8499 59.8891 70.4932 173.7215 84 D 4.6400 8.6907 125.1780 54.1265 41.7382 175.5493 85 I 4.4652 9.4758 120.2887 60.6863 39.5233 177.7169 86 S 2.7900 8.0465 117.1882 60.9058 62.3075 176.3300 87 K 3.7842 7.8738 120.8953 59.1204 32.4104 177.7301 88 Y 4.4256 7.6074 117.0585 58.8506 38.1573 177.0197 89 F 4.6542 7.9144 119.8764 61.1810 39.0233 176.9511 90 D 4.5642 8.3374 117.3460 57.8539 40.7539 178.8198 91 D 4.4114 8.1480 118.7001 57.4327 40.8800 178.8871 92 V 3.7539 8.1092 119.1302 66.0881 31.5641 178.2476 93 T 4.0535 8.7593 110.0070 64.6301 68.7430 176.6260 94 A 4.0583 8.4138 123.8477 54.7946 18.4253 179.3376 95 F 4.0398 8.4371 119.1338 61.4411 39.6073 177.1702 96 L 3.3858 7.9417 118.6139 57.6960 41.1881 179.3483 97 S 4.2707 8.4382 113.1869 61.4602 62.2963 176.0987 98 K 3.8737 8.0756 122.1336 59.8863 31.8507 178.5528 99 C 4.1097 7.5286 116.7594 62.7688 27.6927 175.8118 100 D 4.4524 7.7178 119.4039 56.9598 40.7806 178.6803 101 Q 4.1877 7.8286 118.8865 59.0088 28.6186 178.2953 102 R 4.2218 7.8429 115.4420 56.3038 30.1970 177.2008 103 N 4.4096 7.2410 113.0494 53.6716 36.2149 175.6297 104 E 4.6120 8.3479 118.8892 53.7989 31.4764 176.1876 105 P 4.8358 0.0000 0.0000 63.3643 32.7676 175.9899 106 V 5.6316 9.5945 122.2778 59.3844 35.4352 173.6753 107 L 5.2338 8.7203 124.8771 53.4812 44.6715 174.7224 108 V 4.8602 9.2851 127.7573 61.6897 33.2808 174.2933 109 H 5.8595 9.4459 122.5471 53.5101 32.2585 171.8379 110 C 4.9892 8.4217 114.3232 57.8770 32.2538 173.4891 111 A 4.2767 9.1132 116.5671 55.1320 18.2398 179.8032 112 A 4.2872 8.2334 115.3980 51.7136 19.5943 177.6458 113 G 4.0991 8.2401 103.1707 45.6225 0.0000 174.3408 114 V 4.2148 7.8656 116.8282 64.0951 33.1140 176.5805 115 N 4.6912 7.5233 116.4880 55.2119 38.6566 177.3459 116 R 3.9932 8.0819 120.5592 59.7406 30.7023 178.9321 117 S 4.4107 8.1674 113.2955 61.5046 63.0983 176.3257 118 G 3.7108 8.2530 108.7877 47.3559 0.0000 175.7885 119 A 4.2440 8.2010 120.5303 52.5589 18.0735 179.2385 *121 I 4.1938 7.7041 123.3004 62.9276 39.2824 177.9762 122 L 4.0179 8.6707 120.4940 58.1973 41.9149 178.5671 123 A 3.4726 7.9612 119.6312 54.9399 18.5670 178.6064 124 Y 4.4280 7.9692 117.4952 60.8287 39.0740 179.5605 125 L 3.8008 7.9256 118.1642 55.0167 41.3638 179.2266 *127 S 4.5310 8.0115 115.3264 58.3983 64.6683 175.2567 128 K 3.8460 7.6195 118.8324 57.9699 31.8685 176.4547 129 N 3.8928 7.3533 116.9214 53.5791 38.3716 174.2088 130 K 4.4931 8.1956 123.2526 56.1779 34.3518 176.4782 131 E 4.3428 8.1624 118.1977 57.0922 30.9682 176.0742 132 S 4.8062 7.1005 110.2079 55.4833 65.7015 173.6965 133 L 4.1118 8.2332 122.2205 55.2538 40.8138 176.3492 134 P 4.0293 0.0000 0.0000 63.1885 32.0060 177.7776 *136 L 4.3174 8.0599 122.0697 55.3342 43.9102 178.1277 137 Y 4.1911 8.1853 119.1436 60.4237 38.5690 177.5707 138 F 4.0361 8.8886 122.1589 61.3949 39.4702 177.1965 139 L 4.0238 8.1125 118.0689 57.8159 41.5461 178.7007 140 Y 4.1153 8.2418 119.6280 60.7001 38.5794 178.2868 141 V 3.0473 7.5384 118.0817 65.8117 31.6469 176.8965 142 Y 4.0631 7.6203 118.2493 61.2442 38.8277 177.7213 143 H 4.3732 8.3658 117.4349 58.3133 28.8711 177.4773 144 S 4.7819 7.7019 117.1802 58.1809 63.3277 176.2795 *146 R 4.0837 8.0140 124.0974 57.4694 31.6413 176.9307 147 D 4.4118 8.3273 117.0701 57.3383 41.0558 177.7095 148 L 4.0200 7.8470 120.0001 58.2245 42.1339 178.3813 149 R 4.0558 7.6853 115.5330 57.1807 30.6705 177.0379 150 G 4.0795 10.0512 106.2749 45.5337 0.0000 173.1802 151 A 4.8167 7.2253 118.2599 51.4902 21.7971 175.3177 152 F 4.4470 10.2137 120.9501 59.6388 43.1781 176.4087 153 V 3.3598 7.6728 124.7137 63.5200 29.3871 174.1350 154 E 4.0932 8.8356 128.8894 59.3559 30.3275 177.4752 155 N 4.1925 8.2687 117.4190 52.9858 39.4790 173.3227 156 P 4.2926 0.0000 0.0000 65.7860 31.4413 178.2907 157 S 4.1176 8.0764 112.4964 61.3441 62.4462 175.9788 158 F 4.5339 8.4731 120.4428 60.6998 38.5910 177.7221 159 K 4.1409 8.3125 118.1346 59.4705 31.8131 179.2661 160 R 3.8681 8.3826 119.0502 59.7008 30.0142 178.3502 161 Q 4.1550 8.4497 117.9301 59.3276 28.6920 179.3974 162 I 3.8075 8.0415 120.4203 64.4302 37.1563 178.3809 163 I 3.4925 7.9933 120.8225 64.5584 36.7049 178.3689 164 E 3.9307 8.5869 119.6495 59.1799 29.0443 179.4225 165 K 3.7828 8.1849 118.9041 59.0237 32.3811 177.6604 166 Y 4.5821 8.1443 114.2978 57.6428 39.3448 176.4514 167 V 4.1759 7.6271 117.7754 64.6223 33.0212 177.0221 168 I 3.7620 7.8486 118.4364 64.6039 37.2868 175.5345 169 D 4.5675 7.5025 122.8244 54.4340 40.8442 176.4077 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 *-15 H 8.43 4.63 0.00 3.14 3.12 0.00 7.24 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-14 H 7.92 4.53 0.00 3.03 2.88 0.00 7.09 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-13 H 9.18 4.73 0.00 3.12 2.93 0.00 7.02 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-12 H 8.52 4.88 0.00 3.07 2.94 0.00 7.26 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -11 S 8.01 4.50 0.00 3.91 3.23 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 -10 S 9.29 4.65 0.00 4.12 3.47 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 0.00 0.00 0.00 0.00 -9 G 5.64 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 *-4 Y 8.73 3.69 0.00 2.87 2.87 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 -3 F 7.48 4.82 0.00 3.13 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 -2 Q 8.04 4.25 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.71 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 -1 G 7.82 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-15 H 8.43 4.63 0.00 3.14 3.12 0.00 7.24 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-13 D 9.10 4.64 0.00 2.55 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-12 K 8.39 4.47 0.00 1.62 1.53 0.00 0.61 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 0.95 7.81 -11 K 7.99 4.35 0.00 1.86 1.11 0.00 0.61 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.34 7.81 -10 S 9.29 4.65 0.00 4.12 3.47 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 0.00 0.00 0.00 0.00 -9 L 5.62 3.98 0.00 1.59 1.30 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.26 4.02 0.00 3.18 3.10 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 0.00 0.00 0.00 8 K 8.25 3.98 0.00 2.00 2.11 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.57 7.81 9 Y 8.20 4.24 0.00 3.07 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 10 L 7.98 3.72 0.00 1.65 1.64 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.29 4.07 0.00 1.80 1.75 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.05 3.98 0.00 1.91 1.69 0.97 0.79 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 13 R 7.96 3.73 0.00 1.41 1.10 0.00 3.09 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.00 14 S 8.26 4.52 0.00 3.82 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 15 T 7.29 4.45 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 1.27 0.00 0.00 16 G 7.84 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 17 D 7.73 4.46 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *19 H 8.35 4.59 0.00 3.31 3.37 0.00 5.79 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 20 R 8.57 3.90 0.00 1.82 1.93 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 21 A 8.57 4.39 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 22 K 8.54 4.90 0.00 1.60 1.67 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.51 7.81 23 S 8.66 4.50 0.00 3.90 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 24 P 0.00 4.62 0.00 2.01 2.07 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 25 T 8.67 4.53 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 1.22 0.00 0.00 26 I 7.08 4.45 1.91 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 1.36 0.68 0.93 0.00 0.00 *28 T 8.55 4.14 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 29 R 8.68 3.85 0.00 1.64 1.77 0.00 2.95 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 30 V 8.37 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 0.77 0.00 0.00 1.07 0.00 0.00 31 T 7.21 4.47 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 1.52 0.00 0.00 32 N 8.89 4.37 0.00 2.70 3.04 0.00 0.00 6.71 7.79 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 33 N 8.45 5.10 0.00 3.01 2.84 0.00 0.00 6.58 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.34 4.74 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 1.00 0.00 0.00 0.83 0.00 0.00 35 Y 9.62 5.30 0.00 3.21 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.91 5.19 0.00 1.71 1.63 1.11 1.11 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 37 G 8.74 4.29 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 0.00 38 N 9.28 5.67 0.00 3.10 3.09 0.00 0.00 7.04 7.59 0.00 0.00 0.00 0.00 0.00 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0.00 48 S 7.62 4.40 0.00 4.11 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 49 E 8.66 4.02 0.00 1.98 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 2.30 2.29 0.00 50 V 7.43 3.48 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 -0.27 0.00 0.00 0.66 0.00 0.00 51 K 8.07 4.22 0.00 1.67 1.70 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.47 7.81 52 F 8.17 4.51 0.00 3.03 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 53 K 8.74 4.23 0.00 1.72 1.60 0.00 1.46 0.00 0.00 1.37 0.00 0.00 2.81 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.64 1.16 7.81 54 Y 8.07 5.53 0.00 3.15 3.01 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 55 V 8.67 4.79 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 1.06 0.00 0.00 0.73 0.00 0.00 56 L 9.63 4.76 0.00 1.83 1.61 0.77 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 83 T 7.78 4.51 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 1.31 0.00 0.00 84 D 8.69 4.64 0.00 2.64 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 85 I 9.48 4.47 1.50 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.19 0.50 0.00 0.00 86 S 8.05 2.79 0.00 4.06 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 0.00 87 K 7.87 3.78 0.00 1.68 1.75 0.00 1.30 0.00 0.00 1.45 0.00 0.00 2.62 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.71 0.63 7.81 88 Y 7.61 4.43 0.00 2.99 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 89 F 7.91 4.65 0.00 3.21 3.14 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 0.00 90 D 8.34 4.56 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.08 3.99 0.00 1.86 2.02 0.00 3.42 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 117 S 8.17 4.41 0.00 4.14 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 0.00 118 G 8.25 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.20 4.24 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 *121 I 7.70 4.19 2.20 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 1.45 0.64 1.12 0.00 0.00 122 L 8.67 4.02 0.00 1.75 1.93 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.96 3.47 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 0.00 124 Y 7.97 4.43 0.00 3.05 3.23 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 0.00 125 L 7.93 3.80 0.00 1.84 1.65 0.91 0.91 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 *127 S 8.01 4.53 0.00 4.10 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 0.00 128 K 7.62 3.85 0.00 1.45 1.69 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.83 1.05 7.81 129 N 7.35 3.89 0.00 2.27 2.59 0.00 0.00 6.94 6.56 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 0.00 130 K 8.20 4.49 0.00 1.77 1.76 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.31 7.81 131 E 8.16 4.34 0.00 1.80 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 2.13 2.14 0.00 132 S 7.10 4.81 0.00 3.98 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 0.00 133 L 8.23 4.11 0.00 1.92 1.87 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.03 0.00 2.25 2.22 0.00 3.65 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 2.15 2.13 0.00 *136 L 8.06 4.32 0.00 1.78 1.92 0.58 0.80 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 0.00 137 Y 8.19 4.19 0.00 3.10 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 0.00 138 F 8.89 4.04 0.00 3.32 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.11 4.02 0.00 1.99 1.81 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.24 4.12 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 0.00 141 V 7.54 3.05 1.70 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 0.63 0.00 0.00 0.06 0.00 0.00 142 Y 7.62 4.06 0.00 2.41 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 0.00 143 H 8.37 4.37 0.00 3.22 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 7.70 4.78 0.00 3.83 3.80 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 *146 R 8.01 4.08 0.00 1.47 1.76 0.00 3.04 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 147 D 8.33 4.41 0.00 2.89 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 0.00 148 L 7.85 4.02 0.00 1.57 1.54 0.88 0.84 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 0.00 149 R 7.69 4.06 0.00 1.99 1.99 0.00 3.24 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 150 G 10.05 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.23 4.82 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 0.00 152 F 10.21 4.45 0.00 2.63 2.56 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 0.00 153 V 7.67 3.36 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 -0.10 0.00 0.00 1.09 0.00 0.00 154 E 8.84 4.09 0.00 2.00 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 2.39 2.43 0.00 155 N 8.27 4.19 0.00 2.44 2.33 0.00 0.00 6.99 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 0.00 156 P 0.00 4.29 0.00 2.29 2.28 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 157 S 8.08 4.12 0.00 3.93 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.47 4.53 0.00 3.30 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.31 4.14 0.00 2.03 1.98 0.00 1.50 0.00 0.00 1.09 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.75 7.81 160 R 8.38 3.87 0.00 2.03 2.13 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 161 Q 8.45 4.15 0.00 2.37 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 162 I 8.04 3.81 2.27 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 1.16 0.00 0.00 163 I 7.99 3.49 1.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.16 0.74 0.00 0.00 164 E 8.59 3.93 0.00 2.14 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 2.32 2.31 0.00 165 K 8.18 3.78 0.00 1.71 1.53 0.00 1.50 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.28 7.81 166 Y 8.14 4.58 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.63 4.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.82 0.00 0.00 168 I 7.85 3.76 1.98 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 1.26 0.49 0.89 0.00 0.00 169 D 7.50 4.57 0.00 2.83 2.52 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 * Residues marked with a * may have inaccurate shift predictions.