NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3663 8.4444 116.7553 56.0190 31.2458 174.4474 2 E 4.2730 8.7952 125.0452 54.3127 30.8932 174.0009 3 P 4.4265 0.0000 0.0000 62.0329 32.9225 175.2930 4 S 4.3103 8.4689 114.4026 58.8827 62.7848 174.5473 5 D 4.8651 9.2496 128.2686 52.0469 42.2731 177.1357 6 L 4.0174 8.1962 119.7192 58.6567 42.0179 178.6239 7 E 4.4345 8.0787 119.1731 59.0035 29.3550 179.0778 8 E 4.0728 9.2876 119.0917 59.2239 29.4304 179.1121 9 L 4.0255 8.2802 120.6370 58.1834 42.0112 178.8763 10 E 3.9426 8.3775 118.6625 59.3109 29.2754 179.1829 11 Q 3.9908 8.0048 119.2996 59.0449 29.1624 177.7905 12 F 4.1406 8.6987 121.8641 61.3112 39.4322 176.8939 13 A 4.1160 8.5420 120.7325 54.9523 18.1624 179.4299 14 K 3.8527 8.0354 117.9728 60.0538 32.2889 179.0608 15 T 3.8387 8.2027 116.2334 66.5697 68.3390 176.2091 16 F 3.9060 8.4911 122.7393 61.3442 39.3834 177.1315 17 K 4.2194 8.3462 119.1244 59.5197 31.9761 178.8199 18 Q 3.9907 8.2156 118.4495 58.9601 28.6012 178.7210 19 R 3.8806 8.1403 119.8107 59.2645 30.1256 178.3672 20 R 4.2110 8.1051 118.6225 59.7840 30.1116 178.6231 21 I 3.8383 7.9958 121.9282 64.8624 36.8767 179.0986 22 K 3.9822 8.3099 123.9238 59.8315 31.6449 180.3370 23 L 4.4424 8.1951 117.6989 54.7485 41.7138 177.8128 24 G 3.7294 7.8080 107.0896 45.9149 0.0000 173.3428 25 F 5.0043 7.9561 117.6213 56.0355 40.7584 176.7050 26 T 4.4483 8.7771 115.2167 60.9145 71.4112 176.1765 27 Q 4.1105 8.5727 119.9682 58.8916 28.5799 179.2583 28 G 3.6181 8.0443 106.3550 47.8236 0.0000 175.0485 29 D 4.4197 8.3872 121.9661 57.2661 40.9133 179.3000 30 V 3.0506 7.5651 118.2459 65.7332 31.3973 178.2096 31 G 4.0454 7.9145 106.7367 47.2837 0.0000 175.6946 32 L 3.9696 8.1931 121.2601 57.5315 41.6094 179.4008 33 A 4.0291 8.2310 120.9960 55.4282 18.3916 179.5468 34 M 4.3724 8.3587 117.4921 58.4776 32.1013 179.3092 35 G 3.5245 7.8474 105.4008 47.7028 0.0000 175.9336 36 K 3.9549 7.8673 120.0389 58.8007 32.1260 178.8295 37 L 4.0203 8.2320 118.0259 55.6505 42.0391 177.0689 38 Y 4.6819 7.3191 112.5815 57.2331 39.0401 176.4874 39 G 3.9216 9.1072 108.1825 45.4044 0.0000 174.2906 40 N 4.6477 7.5532 116.8011 50.8181 37.7129 173.6227 41 D 4.7751 8.0458 124.8222 53.7646 40.9881 175.5957 42 F 5.0151 8.6611 117.9419 55.5801 43.4492 174.9239 43 S 4.7151 8.7076 115.7809 57.7656 64.6156 174.8396 44 Q 3.9613 8.8174 120.9722 59.6926 28.5920 178.4653 45 T 3.8742 7.9429 116.1689 67.1815 68.4681 176.4826 46 T 3.8884 7.9464 117.4184 66.5717 68.3926 176.9621 47 I 3.5920 7.7435 121.8141 64.2704 37.2392 178.3276 48 S 4.1069 8.5491 114.3402 61.5991 62.1471 176.5156 49 R 3.9227 8.3108 121.0057 59.0182 29.7927 178.7444 50 F 3.8564 8.5115 120.8314 61.4860 39.2207 177.1700 51 E 4.0799 8.4305 116.2308 58.5256 29.3089 178.1536 52 A 4.4331 7.6632 117.8755 50.6760 19.8474 176.5389 53 L 3.4266 7.5860 116.6787 55.6865 40.3115 174.7511 54 N 5.0187 8.0955 113.0288 52.5816 38.2657 174.5634 55 L 4.6912 7.1244 117.0773 52.0345 46.6323 176.3715 56 S 4.8791 8.2289 116.4509 57.5944 65.1320 175.0032 57 F 4.1019 8.7013 124.0681 61.1420 38.9849 177.0561 58 K 3.7170 8.1171 118.9740 59.5384 32.0249 178.1457 59 N 4.2727 8.1440 117.1788 56.8534 38.9312 176.6998 60 M 4.0628 8.0604 120.1945 58.6464 31.7556 178.9815 61 S 3.8772 7.4508 114.3549 61.0404 62.9169 176.4359 62 K 4.0043 7.5238 122.4175 59.6264 31.9679 179.0762 63 L 3.8138 7.9400 119.1802 57.1527 41.4094 179.3459 64 K 3.6156 8.0422 119.8568 59.0470 31.8708 176.8896 65 P 4.1248 0.0000 0.0000 65.5555 31.3881 178.3074 66 L 4.0879 7.1777 117.5891 57.8562 41.6590 179.5701 67 L 4.1609 8.0096 118.6921 57.1859 41.4500 179.0517 68 E 4.4298 8.2665 119.8549 59.0303 29.5063 178.8365 69 K 3.8547 7.7661 119.0536 58.8695 31.8945 179.0384 70 W 4.1466 7.9953 128.1600 60.3000 30.5618 177.4563 71 L 3.6064 8.1395 118.8617 58.2697 41.9275 178.1672 72 N 4.3665 8.1619 116.1755 56.7421 38.3486 176.8753 73 D 4.2678 7.7966 117.6392 57.2366 41.4177 177.9233 74 A 3.8202 7.4763 120.4016 54.1375 18.1180 178.2557 75 E 4.1643 7.4798 118.2508 56.5314 29.9356 177.0306 *104 K 4.1482 7.3027 119.7287 53.9216 33.2765 180.0599 105 R 4.2173 8.4652 120.1640 56.4915 30.6591 176.3992 106 T 4.6144 8.1533 109.7146 59.8218 71.5454 173.0509 107 S 4.6555 8.4933 118.6290 56.5712 63.6405 173.5747 108 I 4.0085 8.2037 128.9557 60.5873 37.9772 176.1343 109 E 4.1097 8.5289 124.8677 56.2534 31.3167 177.7627 110 T 3.8941 8.5274 121.7589 66.9431 68.6934 176.5563 111 N 4.3579 8.0509 118.3256 55.9633 37.5441 177.2543 112 I 3.6283 7.6437 121.6450 64.0244 37.2013 178.1015 113 R 3.6568 7.9110 118.8603 59.3569 29.8709 179.0827 114 V 3.5798 7.4704 111.3610 64.6977 31.6473 178.5896 115 A 3.9384 7.7226 119.4967 55.1325 18.1636 179.5126 116 L 3.5233 7.9422 117.8023 57.8741 41.4854 179.6525 117 E 4.3674 8.6072 121.1093 59.9790 29.5471 180.0979 118 K 4.0128 8.2730 123.9807 59.8867 31.6772 180.6838 119 S 4.3675 8.5066 115.0865 61.3779 62.1592 175.7300 120 F 4.9096 8.7069 126.0115 61.8205 39.0835 177.3191 121 M 4.1857 8.0751 118.5675 59.9430 31.2316 180.0526 122 E 4.4186 7.8683 118.2862 57.3382 30.0508 176.6788 123 N 4.8810 8.3131 117.7212 51.6497 41.3325 175.2289 124 Q 3.8432 8.8963 127.7944 58.6610 29.3561 177.3602 125 K 4.6814 7.8880 118.5684 51.6002 32.0442 176.4869 126 P 4.4336 0.0000 0.0000 62.3436 32.4383 178.1514 127 T 4.1978 9.5825 113.0093 61.0706 71.0375 175.5150 128 S 3.9134 8.7682 117.4581 62.3468 62.0665 176.8251 129 E 3.9484 8.0164 120.1872 61.1429 29.7234 180.7141 130 D 4.5207 7.9280 120.3796 57.3316 40.8868 178.9979 131 I 3.6324 8.3831 120.6849 64.9940 37.2083 178.4410 132 T 3.9298 8.1612 118.7063 67.4102 68.2270 176.9372 133 L 3.9614 7.9559 124.0297 59.6484 40.9669 181.1695 134 I 3.9306 8.0132 120.2812 64.5912 37.0596 178.1411 135 A 4.0238 8.4380 123.9569 55.6196 18.0447 179.8633 136 E 3.9266 8.0273 116.0038 61.3544 29.9574 181.0027 137 Q 4.3122 8.3309 117.8196 59.0369 28.4406 178.5011 138 L 4.3089 7.6844 117.5051 52.9299 43.6493 175.5424 139 N 4.1915 8.2393 117.5577 54.2420 37.0566 172.8652 140 M 4.8551 7.3555 117.0327 52.1422 36.9264 175.7451 141 E 4.1411 8.7749 124.3424 56.6127 31.6399 178.4431 142 K 3.9725 8.6670 130.7977 60.2078 31.7993 177.9448 143 E 4.1367 8.2968 120.2371 59.2915 29.4098 178.9832 144 V 3.6441 7.8075 117.5534 66.1169 31.6580 177.9795 145 I 3.9547 7.6126 119.7614 64.2274 36.9911 178.2875 146 R 4.0434 8.4518 120.0066 59.6175 29.9419 178.8191 147 V 3.6806 8.2352 118.2518 65.5478 31.4517 177.7878 148 W 3.9138 8.2829 128.3232 60.5474 30.5672 178.0713 149 F 3.9429 8.6493 117.7329 60.3012 38.3374 177.7081 150 S 4.1381 8.1936 112.9599 61.5913 62.2306 176.0236 151 N 4.1953 8.4238 119.5654 56.1618 38.2277 177.4541 152 R 3.1317 7.2992 120.2030 59.0462 29.6689 178.8316 153 R 4.1262 7.6925 117.0732 59.2047 30.3502 178.7887 154 Q 4.0978 7.9380 117.9800 58.8669 28.8257 178.6504 155 K 3.8652 7.9989 120.6959 59.4023 31.9368 178.4216 156 E 4.0504 7.9037 118.5887 58.5430 29.5986 178.0175 157 K 4.2852 7.8613 117.0144 56.2355 32.4416 177.1426 158 R 4.3171 6.9571 118.5496 55.8553 30.8014 177.0500 159 I 3.8494 8.5871 122.3267 64.2295 37.3319 176.3870 160 N 4.5828 8.0271 120.6288 53.3162 38.7796 174.4315 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 E 8.44 4.37 0.00 2.01 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 2.13 1.88 0.00 2 E 8.80 4.27 0.00 1.99 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 2.20 2.36 0.00 3 P 0.00 4.43 0.00 2.24 2.03 0.00 3.86 0.00 0.00 3.59 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 4 S 8.47 4.31 0.00 3.82 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 5 D 9.25 4.87 0.00 2.91 2.82 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 6 L 8.20 4.02 0.00 1.56 1.65 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.08 4.43 0.00 2.06 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 2.39 2.25 0.00 8 E 9.29 4.07 0.00 2.14 2.05 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 2.37 2.66 0.00 9 L 8.28 4.03 0.00 2.03 1.78 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.38 3.94 0.00 2.26 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 2.31 2.48 0.00 11 Q 8.00 3.99 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 12 F 8.70 4.14 0.00 3.27 3.30 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 13 A 8.54 4.12 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 14 K 8.04 3.85 0.00 2.13 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.65 7.81 15 T 8.20 3.84 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 16 F 8.49 3.91 0.00 2.52 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 17 K 8.35 4.22 0.00 2.05 2.10 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.55 7.81 18 Q 8.22 3.99 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 19 R 8.14 3.88 0.00 1.97 1.98 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 20 R 8.11 4.21 0.00 1.68 2.04 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.70 0.00 21 I 8.00 3.84 1.96 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 1.41 0.86 0.92 0.00 0.00 22 K 8.31 3.98 0.00 1.80 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 23 L 8.20 4.44 0.00 1.87 1.74 0.97 1.00 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 24 G 7.81 3.73 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 0.00 0.00 0.00 25 F 7.96 5.00 0.00 3.20 2.94 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 26 T 8.78 4.45 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 1.29 0.00 0.00 27 Q 8.57 4.11 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 28 G 8.04 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.39 4.42 0.00 3.10 2.94 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 30 V 7.57 3.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.10 0.00 0.00 31 G 7.91 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.19 3.97 0.00 1.85 1.72 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.23 4.03 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 34 M 8.36 4.37 0.00 2.40 2.43 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.91 0.00 35 G 7.85 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.87 3.95 0.00 1.69 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.68 7.81 37 L 8.23 4.02 0.00 0.41 0.63 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.32 4.68 0.00 3.22 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 39 G 9.11 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 40 N 7.55 4.65 0.00 2.48 2.70 0.00 0.00 6.19 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 41 D 8.05 4.78 0.00 2.73 2.62 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 0.00 0.00 0.00 0.00 42 F 8.66 5.02 0.00 2.97 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 43 S 8.71 4.72 0.00 3.92 4.02 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 Q 8.82 3.96 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 45 T 7.94 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 1.21 0.00 0.00 46 T 7.95 3.89 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 0.99 0.00 0.00 47 I 7.74 3.59 1.99 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 1.60 0.95 0.94 0.00 0.00 48 S 8.55 4.11 0.00 4.05 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 49 R 8.31 3.92 0.00 2.01 2.05 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 50 F 8.51 3.86 0.00 2.96 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 51 E 8.43 4.08 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 52 A 7.66 4.43 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 53 L 7.59 3.43 0.00 1.83 1.64 0.82 0.39 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 54 N 8.10 5.02 0.00 2.66 2.77 0.00 0.00 6.61 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 55 L 7.12 4.69 0.00 1.57 1.46 0.93 0.79 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 56 S 8.23 4.88 0.00 4.08 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 57 F 8.70 4.10 0.00 3.11 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 58 K 8.12 3.72 0.00 1.90 1.79 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 59 N 8.14 4.27 0.00 2.82 2.74 0.00 0.00 7.26 7.43 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 60 M 8.06 4.06 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 61 S 7.45 3.88 0.00 3.59 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 62 K 7.52 4.00 0.00 1.73 1.91 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 L 7.94 3.81 0.00 1.77 1.21 0.79 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.04 3.62 0.00 1.84 1.57 0.00 1.30 0.00 0.00 1.35 0.00 0.00 2.18 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.62 0.21 7.81 65 P 0.00 4.12 0.00 1.97 2.03 0.00 3.69 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 66 L 7.18 4.09 0.00 1.74 1.76 0.94 0.56 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 67 L 8.01 4.16 0.00 1.35 1.60 -0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.27 4.43 0.00 2.17 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 0.00 2.41 2.69 0.00 69 K 7.77 3.85 0.00 1.30 1.03 0.00 1.50 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.28 7.81 70 W 8.00 4.15 0.00 3.61 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 71 L 8.14 3.61 0.00 2.15 2.00 0.84 0.81 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 72 N 8.16 4.37 0.00 2.90 2.84 0.00 0.00 6.74 7.57 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 73 D 7.80 4.27 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.48 3.82 0.16 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 0.00 0.00 75 E 7.48 4.16 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 *104 K 7.30 4.15 0.00 1.80 1.64 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 105 R 8.47 4.22 0.00 1.78 1.91 0.00 3.17 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 106 T 8.15 4.61 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 1.28 0.00 0.00 107 S 8.49 4.66 0.00 3.85 3.81 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 0.00 108 I 8.20 4.01 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.83 0.00 0.00 109 E 8.53 4.11 0.00 2.05 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 2.36 2.66 0.00 110 T 8.53 3.89 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 1.21 0.00 0.00 111 N 8.05 4.36 0.00 2.89 3.05 0.00 0.00 6.25 7.39 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 0.00 112 I 7.64 3.63 1.88 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 1.58 0.49 0.77 0.00 0.00 113 R 7.91 3.66 0.00 2.05 2.02 0.00 3.17 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 114 V 7.47 3.58 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 0.80 0.00 0.00 1.00 0.00 0.00 115 A 7.72 3.94 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 0.00 116 L 7.94 3.52 0.00 0.90 0.13 -0.13 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.61 4.37 0.00 2.20 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 2.68 2.59 0.00 118 K 8.27 4.01 0.00 1.74 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 119 S 8.51 4.37 0.00 3.96 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 0.00 120 F 8.71 4.91 0.00 3.28 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 0.00 121 M 8.08 4.19 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 122 E 7.87 4.42 0.00 2.16 2.04 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 2.36 2.51 0.00 123 N 8.31 4.88 0.00 2.63 2.60 0.00 0.00 7.36 7.76 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 0.00 124 Q 8.90 3.84 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.06 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 125 K 7.89 4.68 0.00 1.74 1.56 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.20 7.81 126 P 0.00 4.43 0.00 1.87 1.77 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 127 T 9.58 4.20 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 128 S 8.77 3.91 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.02 3.95 0.00 2.02 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 2.31 1.97 0.00 130 D 7.93 4.52 0.00 2.77 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 0.00 131 I 8.38 3.63 2.07 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 1.36 0.47 0.95 0.00 0.00 132 T 8.16 3.93 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 1.21 0.00 0.00 133 L 7.96 3.96 0.00 1.67 1.66 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.01 3.93 2.05 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.53 0.99 0.00 0.00 135 A 8.44 4.02 1.48 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 0.00 136 E 8.03 3.93 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 137 Q 8.33 4.31 0.00 2.12 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 138 L 7.68 4.31 0.00 1.79 1.70 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.24 4.19 0.00 2.79 2.81 0.00 0.00 6.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 M 7.36 4.86 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 141 E 8.77 4.14 0.00 2.04 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 2.39 2.39 0.00 142 K 8.67 3.97 0.00 1.80 1.81 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.08 7.81 143 E 8.30 4.14 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 144 V 7.81 3.64 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 145 I 7.61 3.95 2.13 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.02 1.16 0.00 0.00 146 R 8.45 4.04 0.00 1.93 2.16 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 147 V 8.24 3.68 2.35 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 0.93 0.00 0.00 1.05 0.00 0.00 148 W 8.28 3.91 0.00 3.57 3.28 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 0.00 149 F 8.65 3.94 0.00 3.36 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 0.00 150 S 8.19 4.14 0.00 3.97 4.02 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 0.00 151 N 8.42 4.20 0.00 2.58 2.54 0.00 0.00 6.72 7.59 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 0.00 152 R 7.30 3.13 0.00 0.67 0.90 0.00 2.32 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 0.50 0.50 0.00 153 R 7.69 4.13 0.00 2.03 2.07 0.00 3.35 0.00 0.00 3.55 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 154 Q 7.94 4.10 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 155 K 8.00 3.87 0.00 1.63 1.70 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.35 7.81 156 E 7.90 4.05 0.00 2.29 2.23 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 2.52 2.48 0.00 157 K 7.86 4.29 0.00 1.99 1.84 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.78 7.81 158 R 6.96 4.32 0.00 1.93 1.83 0.00 3.11 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 159 I 8.59 3.85 2.07 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 1.35 0.62 0.90 0.00 0.00 160 N 8.03 4.58 0.00 2.89 2.65 0.00 0.00 6.99 7.13 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 * Residues marked with a * may have inaccurate shift predictions.