NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0430 8.2893 120.2823 55.5822 33.2198 174.5049 2 N 4.3538 7.1283 120.2753 49.9900 41.1106 173.6094 3 I 3.5760 9.1154 120.4255 64.2521 38.1644 178.7887 4 F 4.0141 8.1962 117.9848 60.7275 38.9092 177.4070 5 E 3.9774 8.6959 118.2823 59.3055 29.1725 179.1560 6 M 3.5539 8.0143 118.6029 58.6659 32.2797 178.4421 7 L 3.9557 8.0511 119.2339 57.4727 41.6811 179.4070 8 R 3.6083 8.2776 119.0500 59.3075 29.7366 178.6689 9 I 3.7021 7.5181 118.4523 64.7166 37.2905 178.0331 10 D 4.5770 8.1682 118.0772 56.5885 40.7251 177.7190 11 E 4.5426 8.5222 117.7526 55.6782 31.0551 177.1720 12 G 3.7937 8.4092 108.3413 44.3938 0.0000 171.6444 13 L 4.9499 8.0274 119.4024 53.4407 44.5197 175.7963 14 R 4.6680 8.7745 124.5062 54.6644 34.1008 175.7860 15 L 4.5919 8.7635 121.4813 54.8254 43.1024 175.9559 16 K 5.1459 7.8254 117.8959 53.9773 35.2874 176.0760 17 I 4.2000 8.1679 124.3252 62.5638 37.6951 174.9257 18 Y 5.0937 9.1279 123.9197 55.5195 42.2871 173.7124 19 K 4.8044 8.7172 119.2472 55.1479 33.6289 177.4179 20 D 4.8492 8.7013 125.4289 52.6506 41.1349 176.8290 21 T 3.8654 8.5146 108.0924 64.5163 68.6868 174.5870 22 E 4.0552 8.3077 119.4383 55.8989 29.8963 176.6309 23 G 3.6514 8.0696 107.3784 45.4811 0.0000 172.7204 24 Y 4.7491 7.8680 117.6936 56.0900 40.1572 174.9165 25 Y 4.7403 8.2934 121.1129 59.0100 39.0424 175.4583 26 T 5.0955 9.0306 119.9328 62.3298 73.7875 172.4472 27 I 4.9123 8.6546 122.4413 59.7627 42.4405 176.8429 28 G 3.9365 9.4076 115.1194 47.2888 0.0000 176.6924 29 I 5.0891 7.8331 118.6151 59.2692 35.5897 174.8861 30 G 4.0805 8.2810 110.8770 46.6357 0.0000 171.3255 31 H 4.5365 8.4183 121.1318 54.3773 29.1631 173.9891 32 L 4.3376 8.0580 129.8131 55.0121 42.4976 176.5372 33 L 4.2065 8.6985 127.0664 57.0292 42.1242 176.9010 34 T 4.1678 7.1985 108.0103 61.6521 69.6436 172.6944 35 K 3.6128 8.3038 123.6927 56.2874 32.7076 177.4233 36 S 4.2344 7.8147 115.0689 57.7633 62.6373 172.1051 37 P 4.5584 0.0000 0.0000 63.4760 31.6565 176.3034 38 S 4.5222 8.1382 115.6517 57.4420 63.0812 174.0890 39 L 3.1247 8.4954 131.3811 58.0807 41.8767 178.4891 40 N 4.2445 8.0561 115.8170 56.0874 38.4917 177.0329 41 A 3.9630 8.0125 122.0285 55.0196 18.4037 179.5359 42 A 3.9159 7.8844 119.2904 55.2605 18.3605 179.9742 43 K 3.8447 8.2019 117.2970 59.6817 32.0769 179.7277 44 S 4.0975 8.1617 115.3540 61.6392 62.7064 176.6179 45 E 3.9523 8.1547 121.2451 59.2042 29.1571 179.1561 46 L 3.9407 8.1160 120.4367 58.3731 42.1247 178.6771 47 D 4.7955 8.2344 120.3157 56.7013 40.5068 178.8416 48 K 3.9010 7.8837 118.8482 59.4880 32.3194 178.4372 49 A 4.1199 8.2045 120.2743 55.0378 18.3672 179.0706 50 I 4.0817 7.9455 117.0998 61.4362 37.5700 177.0380 51 G 3.8908 9.9850 107.3103 45.3043 0.0000 172.8375 52 R 4.4056 7.3564 113.6317 54.6549 31.8054 173.7432 53 N 4.7841 8.5476 117.9355 53.4154 38.0227 174.2713 54 T 4.1382 9.2845 117.4495 61.4525 70.0250 174.7921 55 N 4.3562 9.1947 119.4809 54.5600 37.5301 174.4090 56 G 3.9321 8.1202 102.6099 45.4624 0.0000 172.9880 57 V 5.0301 7.6611 118.5222 60.8043 34.0590 174.6493 58 I 4.9485 8.7355 120.6376 59.2630 41.0977 174.6381 59 T 4.3835 8.7232 113.0123 60.3671 70.6723 176.0358 60 K 3.9112 8.6707 122.1891 59.7646 32.1375 178.3050 61 D 4.3762 8.0973 118.6356 57.5082 40.7833 178.5294 62 E 3.9775 8.2386 118.7318 59.2737 29.4766 179.1623 63 A 4.0591 8.2599 120.9553 55.4631 18.3933 179.6368 64 E 4.1919 8.5937 117.2502 59.1909 29.4872 179.5403 65 K 3.9795 8.3229 119.9057 59.6079 32.2487 178.8956 66 L 4.0454 8.0216 119.3070 57.6339 41.4034 179.2638 67 F 4.6200 8.5701 120.6568 61.5618 39.4302 176.5621 68 N 4.4695 8.6473 116.8407 57.0072 38.7169 176.7676 69 Q 4.0486 8.1776 119.2762 59.1599 28.8373 178.5642 70 D 4.4080 8.5671 120.2606 57.1431 40.8450 179.0495 71 V 3.5652 8.0839 119.1700 65.9037 31.3940 177.4196 72 D 4.2866 8.1133 117.5413 57.4917 40.9785 178.1011 73 A 3.9234 8.4716 121.2571 55.0895 18.3033 179.4780 74 A 3.8509 8.0767 119.1917 55.2260 18.4966 180.0389 75 V 3.3077 7.7328 116.7008 66.2193 31.7345 178.4268 76 R 3.9625 8.2820 118.2427 59.0650 29.6219 179.2039 77 G 3.5907 7.9936 104.8016 47.8370 0.0000 175.4543 78 I 3.7614 7.5018 122.4096 64.1355 36.9288 178.7108 79 L 3.9973 7.6378 118.2784 56.9452 41.4793 178.8032 80 R 4.3303 7.6122 113.6368 55.4417 30.3006 175.5439 81 N 4.6623 7.3640 119.5022 52.0843 39.8080 175.5168 82 A 4.0119 8.6487 127.7892 54.7674 18.5063 178.8974 83 K 4.1865 8.1398 116.2458 58.9715 32.8000 178.9278 84 L 4.1990 7.9801 118.7477 57.1932 41.7225 178.9711 85 K 3.9330 8.2386 120.0651 59.1346 31.9437 177.0230 86 P 4.3648 0.0000 0.0000 65.8223 31.3356 178.2522 87 V 3.9761 7.7057 118.8243 65.4146 31.6700 177.0591 88 Y 4.0993 8.3240 119.4939 61.1120 38.4418 178.0202 89 D 4.4635 8.5676 118.8554 57.1514 40.9739 178.4287 90 S 4.3464 7.7524 112.9113 59.1298 63.6031 174.3145 91 L 4.6243 6.8027 122.4592 53.2908 43.0427 176.5591 92 D 4.5569 8.2412 120.6939 52.9520 41.7205 177.2146 93 A 3.8634 8.3799 121.6100 55.1381 18.1632 180.3124 94 V 3.1406 7.5376 116.3318 66.2148 31.6987 178.4695 95 R 3.6071 8.1993 117.9298 58.9119 29.7301 179.1635 96 R 3.8498 8.1519 118.2421 59.1970 29.9100 178.8335 97 A 3.9969 7.8176 119.7521 55.0828 18.3996 179.4424 98 A 3.6514 7.3050 118.9887 55.0901 18.2421 179.6796 99 L 4.1814 7.8912 118.7897 58.3736 42.1870 179.1389 100 I 3.7262 8.0583 119.9481 64.3272 37.0380 177.6474 101 N 4.2600 8.4121 118.0806 57.1557 38.6841 176.5506 102 M 3.8487 7.9524 119.7623 58.5113 32.0072 179.0025 103 V 3.4655 7.8345 118.1453 65.8205 31.4455 177.7020 104 F 3.9753 8.4176 119.8801 61.4010 39.2969 176.6410 105 Q 4.3052 8.2336 117.9270 58.8623 29.1016 176.9141 106 M 4.5139 8.4046 116.8458 53.7247 34.0043 177.3670 107 G 3.9710 7.8903 104.5131 45.5077 0.0000 173.6888 108 E 3.7887 8.6778 119.8998 59.8338 28.9294 179.5637 109 T 3.9498 7.8657 109.0351 64.4983 68.6088 176.2537 110 G 3.6310 7.9360 107.3319 47.9110 0.0000 175.3927 111 V 2.8785 7.4987 121.0107 64.8945 31.2630 177.8967 112 A 4.1423 7.9592 119.9622 54.7034 18.2491 179.0702 113 G 3.8591 7.6034 101.4201 45.8028 0.0000 174.8986 114 F 4.6568 8.3276 122.6110 56.5174 35.6840 176.0353 115 T 3.9079 7.7982 119.9418 67.1488 68.9329 176.1457 116 N 4.3525 8.0668 117.4519 56.3805 38.6283 177.5731 117 S 4.1422 8.0223 116.0639 61.5695 62.9300 176.5566 118 L 3.9436 8.1812 121.7933 57.7155 41.3666 179.5071 119 R 3.8471 8.0082 118.5622 59.8205 30.0373 178.4825 120 M 3.9841 8.0520 118.3620 58.2387 31.9103 178.7970 121 L 3.9676 8.0508 119.2424 57.8550 41.5958 179.1695 122 Q 3.9836 8.3073 119.7922 59.3234 28.7647 177.9100 123 Q 4.0495 7.9181 115.9783 55.3671 29.1695 175.8644 124 K 2.0000 7.0922 118.3780 57.0848 30.3635 177.6309 125 R 4.1034 6.9842 118.3000 54.3812 27.5126 176.2665 126 W 4.6100 7.3883 122.8113 59.9016 29.4490 177.5541 127 D 4.4524 8.1323 117.1557 57.2734 40.4497 177.9380 128 E 4.0497 8.1255 118.0308 59.1745 29.9560 178.0932 129 A 4.1895 8.5066 120.9873 55.1078 18.5397 180.0955 130 A 4.1859 7.9375 115.4903 53.2976 18.3865 178.6677 *132 N 4.6614 8.1075 120.9669 54.9804 40.6755 176.6699 133 L 4.2220 8.2717 117.0831 57.5681 41.8097 178.1888 134 A 3.7126 7.3901 118.8148 53.6479 18.9468 178.1509 135 K 4.3377 7.3643 117.9982 54.4163 30.9583 176.7233 136 S 4.6942 7.3201 114.6875 55.7578 67.6562 175.0406 137 R 3.9421 8.7514 123.1212 59.4204 29.8986 178.2119 138 W 4.6055 8.6702 127.7374 61.1541 30.4444 177.0708 139 Y 3.5091 8.3693 118.9003 60.6977 38.0254 177.8030 140 N 4.3528 8.0907 116.1710 56.3800 38.7101 177.0799 141 Q 4.2555 8.3924 119.1848 57.3023 30.5073 176.5617 142 T 4.5849 7.6867 109.1598 58.7088 68.5613 172.6336 143 P 3.6380 0.0000 0.0000 65.8203 31.9552 178.5011 144 N 4.1666 7.7745 115.7949 55.9181 38.5612 177.2691 145 R 3.8524 7.7526 119.4044 59.3010 30.3547 178.1289 146 A 3.4490 7.8055 120.8051 54.9108 18.0766 179.6461 147 K 3.9953 8.0927 117.2300 59.7095 32.1681 179.7610 148 R 3.7932 7.7872 117.7655 59.1956 29.9660 179.3314 149 V 3.7640 8.0513 117.9795 66.1893 31.5921 178.1305 150 I 4.1622 8.5801 119.9871 64.8692 36.9130 178.4604 151 T 3.9504 8.3190 116.8043 66.9805 68.1825 176.7441 152 T 3.8418 7.8948 117.3834 66.7248 68.2403 176.8006 153 F 4.1767 7.8401 118.4394 60.4092 38.9678 177.4966 154 R 4.1865 8.4144 118.4392 59.1258 30.0350 177.7904 155 T 4.2979 7.9355 107.6715 60.7803 69.8233 175.4974 156 G 3.4948 7.8028 108.6558 45.9718 0.0000 172.7739 157 T 4.4662 7.2367 107.8419 59.3169 71.6949 173.2864 158 W 4.9960 8.3906 118.8167 56.9021 28.9224 178.2447 159 D 4.3878 8.1854 122.0250 57.6841 40.2889 178.7281 160 A 4.1260 8.1167 119.3062 53.8695 18.5508 177.0962 161 Y 4.5699 8.1006 111.8545 57.2524 38.8682 176.9171 162 K 3.8723 7.4889 118.8883 59.3176 32.8932 177.7648 163 N 4.8674 7.7248 116.8309 52.5024 37.2691 175.0425 164 L 4.3485 7.5045 121.8112 55.8499 42.6369 177.1021 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 8.29 4.04 0.00 0.51 1.43 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.59 0.00 2 N 7.13 4.35 0.00 3.09 2.80 0.00 0.00 5.71 6.69 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 3 I 9.12 3.58 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 0.73 0.00 0.00 4 F 8.20 4.01 0.00 3.35 3.20 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 5 E 8.70 3.98 0.00 1.77 1.87 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 2.30 2.42 0.00 6 M 8.01 3.55 0.00 1.99 1.63 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 2.15 0.00 7 L 8.05 3.96 0.00 1.87 1.49 0.32 0.63 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 8 R 8.28 3.61 0.00 1.91 2.15 0.00 2.98 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 9 I 7.52 3.70 2.21 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 1.57 0.74 1.06 0.00 0.00 10 D 8.17 4.58 0.00 2.74 2.85 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 11 E 8.52 4.54 0.00 1.90 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 12 G 8.41 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.03 4.95 0.00 1.44 1.44 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.77 4.67 0.00 1.57 1.60 0.00 2.62 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.25 0.00 15 L 8.76 4.59 0.00 1.61 1.90 0.93 1.12 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 16 K 7.83 5.15 0.00 1.66 1.74 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.45 7.81 17 I 8.17 4.20 1.88 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 1.30 0.65 0.93 0.00 0.00 18 Y 9.13 5.09 0.00 2.99 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 19 K 8.72 4.80 0.00 1.66 1.65 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.30 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.90 1.38 7.81 20 D 8.70 4.85 0.00 2.95 2.77 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 21 T 8.51 3.87 4.26 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 1.27 0.00 0.00 22 E 8.31 4.06 0.00 1.84 1.41 0.00 0.00 0.00 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 2.31 0.00 23 G 8.07 3.65 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 0.00 0.00 0.00 24 Y 7.87 4.75 0.00 3.10 2.86 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 25 Y 8.29 4.74 0.00 2.95 2.81 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 0.00 0.00 0.00 26 T 9.03 5.10 3.29 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 1.16 0.00 0.00 27 I 8.65 4.91 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.59 0.99 0.00 0.00 28 G 9.41 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 0.00 0.00 0.00 29 I 7.83 5.09 1.23 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.63 -0.11 0.00 0.00 30 G 8.28 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 31 H 8.42 4.54 0.00 3.37 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.06 4.34 0.00 1.55 1.41 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.70 4.21 0.00 1.87 1.72 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.20 4.17 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 1.31 0.00 0.00 35 K 8.30 3.61 0.00 1.44 1.17 0.00 1.52 0.00 0.00 1.15 0.00 0.00 2.41 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.87 7.81 36 S 7.81 4.23 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.56 0.00 2.29 2.20 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 38 S 8.14 4.52 0.00 3.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.50 3.12 0.00 1.53 1.51 0.33 0.59 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 40 N 8.06 4.24 0.00 2.74 2.82 0.00 0.00 7.03 7.12 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 41 A 8.01 3.96 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 42 A 7.88 3.92 1.18 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 0.00 0.00 0.00 43 K 8.20 3.84 0.00 1.89 1.83 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.52 7.81 44 S 8.16 4.10 0.00 4.03 3.90 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 45 E 8.15 3.95 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 46 L 8.12 3.94 0.00 1.83 1.83 0.94 1.37 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 47 D 8.23 4.80 0.00 2.85 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 48 K 7.88 3.90 0.00 1.82 2.07 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 A 8.20 4.12 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 50 I 7.95 4.08 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 1.65 0.89 0.92 0.00 0.00 51 G 9.98 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 52 R 7.36 4.41 0.00 1.96 2.00 0.00 2.96 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 53 N 8.55 4.78 0.00 2.70 2.81 0.00 0.00 6.96 7.70 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 54 T 9.28 4.14 4.46 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 1.31 0.00 0.00 55 N 9.19 4.36 0.00 2.77 2.84 0.00 0.00 7.02 7.98 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 56 G 8.12 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 57 V 7.66 5.03 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 0.85 0.00 0.00 0.95 0.00 0.00 58 I 8.74 4.95 2.02 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 1.46 0.88 0.93 0.00 0.00 59 T 8.72 4.38 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 60 K 8.67 3.91 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.54 7.81 61 D 8.10 4.38 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.24 3.98 0.00 2.21 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 2.34 0.00 63 A 8.26 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.19 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 65 K 8.32 3.98 0.00 1.95 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 L 8.02 4.05 0.00 1.96 1.69 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.57 4.62 0.00 3.28 3.42 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 68 N 8.65 4.47 0.00 3.04 3.01 0.00 0.00 7.29 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.18 4.05 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 70 D 8.57 4.41 0.00 3.10 2.55 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 71 V 8.08 3.57 1.57 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 0.33 0.00 0.00 -0.09 0.00 0.00 72 D 8.11 4.29 0.00 2.88 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 73 A 8.47 3.92 1.33 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 0.00 0.00 0.00 74 A 8.08 3.85 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.73 3.31 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 0.91 0.00 0.00 0.97 0.00 0.00 76 R 8.28 3.96 0.00 1.96 1.92 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.98 0.00 77 G 7.99 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 78 I 7.50 3.76 1.62 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 1.43 0.88 0.49 0.00 0.00 79 L 7.64 4.00 0.00 1.53 1.67 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.61 4.33 0.00 1.97 2.00 0.00 3.02 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 81 N 7.36 4.66 0.00 3.01 2.80 0.00 0.00 6.96 7.56 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 82 A 8.65 4.01 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 83 K 8.14 4.19 0.00 1.89 1.88 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 84 L 7.98 4.20 0.00 1.79 1.69 0.85 0.99 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 85 K 8.24 3.93 0.00 2.03 1.83 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.50 7.81 86 P 0.00 4.36 0.00 2.44 2.20 0.00 3.80 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 2.11 2.04 0.00 87 V 7.71 3.98 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 1.34 0.00 0.00 1.04 0.00 0.00 88 Y 8.32 4.10 0.00 3.21 3.16 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 0.00 0.00 0.00 0.00 89 D 8.57 4.46 0.00 2.78 2.77 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 90 S 7.75 4.35 0.00 4.04 4.16 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 0.00 0.00 0.00 0.00 91 L 6.80 4.62 0.00 1.70 1.61 1.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.24 4.56 0.00 2.78 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 93 A 8.38 3.86 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 94 V 7.54 3.14 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 -0.23 0.00 0.00 0.70 0.00 0.00 95 R 8.20 3.61 0.00 1.82 2.01 0.00 2.63 0.00 0.00 2.56 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 96 R 8.15 3.85 0.00 1.85 1.79 0.00 2.80 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.50 0.00 97 A 7.82 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.31 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.89 4.18 0.00 2.16 2.07 1.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.06 3.73 2.03 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 1.45 0.84 0.89 0.00 0.00 101 N 8.41 4.26 0.00 2.86 3.06 0.00 0.00 7.25 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 0.00 102 M 7.95 3.85 0.00 1.71 2.16 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 1.98 0.00 103 V 7.83 3.47 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.86 0.00 0.00 104 F 8.42 3.98 0.00 3.16 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.23 4.31 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.52 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 106 M 8.40 4.51 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 107 G 7.89 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.68 3.79 0.00 1.97 1.92 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 2.33 2.44 0.00 109 T 7.87 3.95 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 110 G 7.94 3.63 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 127 D 8.13 4.45 0.00 2.68 2.77 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 0.00 128 E 8.13 4.05 0.00 1.94 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 0.00 2.27 2.36 0.00 129 A 8.51 4.19 1.42 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 0.00 0.00 130 A 7.94 4.19 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *132 N 8.11 4.66 0.00 2.83 3.00 0.00 0.00 7.10 6.66 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 0.00 133 L 8.27 4.22 0.00 2.03 2.24 1.00 1.11 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 A 7.39 3.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.36 4.34 0.00 1.88 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.28 7.81 136 S 7.32 4.69 0.00 4.24 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.75 3.94 0.00 1.99 2.13 0.00 3.29 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 138 W 8.67 4.61 0.00 3.62 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 3.51 0.00 2.92 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 0.00 140 N 8.09 4.35 0.00 2.95 2.90 0.00 0.00 7.13 7.69 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 0.00 141 Q 8.39 4.26 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.25 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 142 T 7.69 4.58 4.20 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 1.26 0.00 0.00 143 P 0.00 3.64 0.00 1.85 1.80 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 144 N 7.77 4.17 0.00 2.66 2.81 0.00 0.00 6.79 7.66 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 0.00 145 R 7.75 3.85 0.00 1.89 1.93 0.00 3.36 0.00 0.00 3.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 146 A 7.81 3.45 0.18 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 0.00 0.00 0.00 147 K 8.09 4.00 0.00 1.92 1.87 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.60 1.54 7.81 148 R 7.79 3.79 0.00 1.97 1.44 0.00 2.21 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.63 0.00 149 V 8.05 3.76 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 1.34 0.00 0.00 1.34 0.00 0.00 150 I 8.58 4.16 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.98 1.07 0.00 0.00 151 T 8.32 3.95 4.42 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 1.22 0.00 0.00 152 T 7.89 3.84 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 153 F 7.84 4.18 0.00 3.32 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 0.00 154 R 8.41 4.19 0.00 1.96 2.14 0.00 3.30 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 155 T 7.94 4.30 4.17 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 1.23 0.00 0.00 156 G 7.80 3.49 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 0.00 157 T 7.24 4.47 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 158 W 8.39 5.00 0.00 3.46 3.20 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 0.00 159 D 8.19 4.39 0.00 2.85 2.77 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 0.00 160 A 8.12 4.13 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 0.00 161 Y 8.10 4.57 0.00 3.09 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 0.00 162 K 7.49 3.87 0.00 1.93 1.88 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.70 7.81 163 N 7.72 4.87 0.00 2.82 2.87 0.00 0.00 5.78 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 0.00 164 L 7.50 4.35 0.00 1.80 1.57 0.91 0.79 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 * Residues marked with a * may have inaccurate shift predictions.