NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5127 8.2827 118.0970 52.1164 38.7632 174.5301 3 I 3.5313 8.3903 117.9389 63.7983 38.1879 176.2964 4 F 4.2082 9.1064 120.0467 60.8163 40.0100 178.0151 5 E 4.2548 7.7451 116.2881 56.8980 28.5882 178.9384 *7 L 4.1909 7.9749 121.4890 54.7809 43.9536 179.2452 8 R 3.6326 8.3689 118.6863 59.2817 29.6477 178.6716 9 I 3.6925 7.5435 118.5016 64.7048 37.2825 177.9795 10 D 4.5692 8.1577 117.7110 56.8269 41.1863 177.1292 11 E 4.2824 8.7870 118.5972 55.6419 30.7210 177.3351 12 G 3.7499 8.1504 108.0339 44.3719 0.0000 171.5286 13 L 4.8433 8.0273 119.3884 53.4050 44.5854 175.8952 14 R 4.6491 8.7351 124.5486 54.6467 33.7206 175.9492 15 L 4.4636 8.8118 122.1221 55.2659 43.0270 176.1687 16 K 5.1527 7.8601 117.7207 53.9612 35.1287 176.0873 17 I 4.1391 8.2041 124.0510 62.6284 37.6861 174.9487 18 Y 5.1009 9.1076 124.1376 55.2657 42.1719 173.9624 19 K 4.8832 8.7037 119.1409 55.0526 33.8025 177.3745 20 D 4.8808 8.8599 125.0310 52.7302 41.0620 176.8025 21 T 3.8607 8.5475 108.1132 64.6572 68.6332 174.5869 22 E 4.0618 8.3260 119.1890 56.0748 29.9169 176.6294 23 G 3.6537 8.1493 107.3814 45.4149 0.0000 172.5648 24 Y 4.8265 8.0811 117.6169 55.8896 40.2694 174.9982 25 Y 4.7401 8.3302 121.1826 59.0578 39.0779 175.4769 26 T 5.0188 9.0771 119.6591 62.3899 73.7942 172.4331 27 I 4.9041 8.6016 122.6557 59.5525 42.4322 176.9995 28 G 3.9107 9.3649 115.1346 47.3581 0.0000 176.8384 29 I 4.9667 7.8682 119.0162 59.3218 35.3509 174.9706 30 G 4.1419 8.3836 109.0680 46.1420 0.0000 171.7807 31 H 4.4359 8.4132 121.3142 54.1106 29.0508 173.9104 32 L 4.1704 8.0682 129.3797 55.2299 42.5757 176.5215 33 L 4.2665 8.7520 127.0088 56.7846 42.2527 176.7526 34 T 4.2883 7.2430 108.2468 61.4878 69.7036 172.8620 35 K 3.5712 8.2338 123.6206 56.2791 32.6397 177.4004 36 S 4.2718 7.8540 115.3308 57.4755 62.6395 172.3645 37 P 4.4617 0.0000 0.0000 64.1733 31.6262 176.5813 38 S 4.4415 8.2009 115.7932 57.5693 62.9992 173.9865 39 L 3.0672 8.5283 131.4674 58.0153 41.9031 178.4522 40 N 4.2727 8.0547 115.8319 56.1528 38.5398 176.9908 41 A 3.9749 8.1394 121.9687 55.0163 18.3662 179.5970 42 A 3.9129 7.8558 119.2394 55.2848 18.3884 179.9669 43 K 3.8114 8.2670 117.4663 59.5141 31.9647 179.5561 44 S 4.0352 8.1043 113.3293 61.4848 62.2982 175.9836 45 E 3.9340 8.1850 121.2679 59.2438 29.1868 179.1560 46 L 3.9307 8.1890 120.4830 58.3518 42.1835 178.6074 47 D 4.7203 8.1900 120.2807 56.7325 40.5442 178.8763 48 K 3.9194 8.1217 118.8061 59.5129 32.2720 178.4187 49 A 4.1203 8.0643 120.2673 54.8500 18.3598 178.9689 50 I 4.1239 7.8810 116.9795 61.3356 37.7210 177.2425 51 G 3.9488 9.9416 107.3154 45.0286 0.0000 172.6067 52 R 4.4671 7.3529 114.3923 54.3569 32.1742 173.7214 53 N 4.8822 8.5410 117.4512 53.4863 38.1333 174.3099 54 T 4.1406 9.3152 117.8724 61.5745 69.7339 174.9229 55 N 4.0656 8.4607 119.4255 54.5534 37.9852 174.7341 56 G 3.9491 8.2273 102.1928 44.9903 0.0000 173.5485 57 V 5.0640 7.5071 118.8752 60.8493 34.2981 174.5367 58 I 4.9817 8.7573 120.3139 59.2918 41.1803 174.5666 59 T 4.3663 8.7056 113.0384 60.4511 70.5972 176.0126 60 K 3.8920 8.7148 122.2281 59.8085 32.0561 178.2794 61 D 4.3828 8.0979 118.5496 57.5193 40.8067 178.5313 62 E 3.9536 8.1850 118.5548 59.2921 29.4817 179.1483 63 A 4.0668 8.2621 120.9553 55.5094 18.4206 179.6502 64 E 4.1991 8.6449 117.2974 59.1435 29.4890 179.5327 65 K 3.9637 8.3983 120.0469 59.6017 32.3314 178.7276 66 L 4.0333 7.9966 119.2413 57.7829 41.4427 179.3199 67 F 4.6461 8.5429 120.4434 61.5710 39.4359 176.5031 68 N 4.4687 8.7483 117.0196 57.0557 38.6651 176.7675 69 Q 4.0529 8.2931 119.2255 59.0721 28.7743 178.5180 70 D 4.3619 8.7014 120.3778 57.2668 40.8859 179.0049 71 V 3.5591 8.0877 119.0218 65.9291 31.4114 177.2749 72 D 4.3119 8.1018 117.5144 57.5913 40.9805 178.2566 73 A 3.9329 8.4123 121.1649 54.9300 18.3812 179.3884 74 A 3.8685 8.1410 119.3036 55.3742 18.5236 180.0632 75 V 3.3110 7.7936 116.6019 66.1478 31.6355 178.3402 76 R 3.9486 8.1934 118.1007 59.1778 29.6628 179.1378 77 G 3.8370 8.0371 106.1092 47.2058 0.0000 175.3460 78 I 3.7865 7.4886 122.0628 64.2545 36.9342 178.6752 79 L 4.0006 7.4631 118.0190 57.3403 41.4770 178.9823 80 R 4.1737 7.8643 117.2946 56.6644 30.3156 175.3967 81 N 4.6215 7.5589 118.2847 52.3496 39.4620 175.4349 82 A 4.0098 8.6492 128.2356 55.0057 18.5352 178.8899 83 K 4.1472 8.0990 116.3410 59.2608 32.6019 179.1383 84 L 4.2084 7.9964 118.7913 57.1672 41.6856 178.8864 85 K 3.8931 8.3603 120.1308 59.3894 32.2384 177.0479 86 P 4.3416 0.0000 0.0000 65.3821 31.0265 178.8669 87 V 3.6109 7.7169 115.9253 66.0566 31.9202 176.8402 88 Y 4.2386 8.2948 119.4409 61.1325 38.4561 178.0726 89 D 4.4847 8.5399 118.7078 57.1727 40.9554 178.5710 90 S 4.3013 7.7752 113.2013 59.5688 63.4652 174.5587 91 L 4.4770 6.9474 122.4863 53.6651 42.6185 176.6708 92 D 4.5852 8.2729 121.0194 52.8266 41.6969 177.2724 93 A 3.8737 8.3040 121.2308 55.0736 18.1983 180.1529 94 V 3.0340 7.5135 116.2854 66.1823 31.6320 178.4870 95 R 3.4999 8.0175 117.6243 58.8376 29.7487 179.1788 96 R 3.7159 7.9719 118.1066 59.0672 29.8727 178.8230 97 A 3.9842 7.6449 119.8825 55.1084 18.1820 179.4910 98 A 3.6255 7.0622 117.6428 54.9555 18.2741 179.3503 99 A 4.3787 7.8155 118.4316 55.5812 18.8564 179.6131 100 I 3.8886 8.0171 118.3304 64.3926 37.1390 178.1709 101 N 4.1903 8.1341 114.9775 55.0749 38.6112 176.1172 *103 V 3.9490 7.6772 120.0154 62.6486 33.4175 177.1264 104 F 4.0182 8.7775 121.1308 61.4086 39.1178 175.7644 105 Q 4.2002 8.2172 118.2559 57.4921 29.2384 175.3373 *107 G 3.7906 7.6787 105.5891 45.1110 0.0000 173.7253 108 E 4.0094 8.4766 118.3231 59.5117 29.0495 179.9541 109 T 4.0233 7.8764 115.0828 66.4942 68.3997 176.5102 110 G 3.7874 8.0507 107.3002 47.7313 0.0000 175.7424 111 V 3.5212 7.8571 119.9068 65.2932 31.2663 177.6659 112 A 4.1500 7.7608 120.2903 55.3111 18.2269 179.1920 113 G 3.6760 7.6154 101.1270 46.0965 0.0000 174.6194 114 F 4.6199 8.2595 120.2837 57.6267 39.2327 177.3194 115 T 3.9180 7.9763 118.5177 67.3329 67.9721 175.7563 116 N 4.3769 8.0277 116.0736 56.3233 38.7103 177.2399 117 S 4.3018 8.0339 115.2712 61.5759 63.2343 176.1406 118 L 4.1408 8.2900 122.0267 57.6540 41.3224 179.9940 119 R 4.0710 7.7203 114.6944 57.2141 29.7276 177.9057 *121 L 4.2689 7.8198 118.5916 54.4246 43.5269 179.0314 122 Q 3.9820 8.1661 118.2917 59.0966 27.8587 177.1561 123 Q 3.9699 8.1372 115.6529 56.1013 28.9078 176.4816 124 K 2.0000 7.0213 116.1747 56.8826 30.3372 177.4777 125 R 4.0492 6.3495 116.5900 54.4268 27.4813 176.4234 126 W 4.6218 7.4743 122.8987 59.9189 29.6912 177.5033 127 D 4.4621 8.2126 118.3228 57.3645 40.2693 178.5154 128 E 3.9537 8.1907 118.3812 59.2989 29.5567 178.8762 129 A 3.9850 8.5115 120.9560 55.2363 18.2306 179.4381 130 A 4.0492 8.2501 119.0960 55.4118 18.2689 179.9530 131 V 3.5265 7.6678 115.3015 66.2686 32.0334 177.4563 132 N 4.4679 8.5097 117.0067 56.6587 38.5711 176.7318 133 L 4.4108 8.3904 119.8126 57.9263 41.8628 178.9724 134 A 3.9753 7.6572 118.8333 53.1598 19.6706 178.3146 135 K 4.3109 7.4563 119.1737 54.2414 31.0319 176.7818 136 S 4.7018 7.4833 114.7822 55.8131 67.4949 175.1604 137 R 3.9642 8.7895 123.5640 59.5059 29.7218 178.2306 138 W 4.5943 8.6845 127.6311 61.1324 30.5787 177.0237 139 Y 3.4140 8.3519 118.9046 60.7585 38.0289 177.9342 140 N 4.3866 8.0833 115.7919 56.2179 38.6758 177.0460 141 Q 4.2567 8.3741 119.3501 57.2670 30.5864 176.5313 142 T 4.5747 7.7928 109.0871 58.6971 68.7241 172.5609 143 P 3.6757 0.0000 0.0000 65.8359 31.7083 178.3972 144 N 4.1505 7.7774 115.7789 55.9222 38.5488 177.2450 145 R 3.8408 7.7604 119.3148 59.2859 30.3291 178.1098 146 A 3.4170 7.8082 120.8605 54.9214 18.0713 179.6555 147 K 3.9963 8.2783 117.2524 59.6767 32.0780 179.7988 148 R 3.7705 7.7295 117.8674 59.2347 29.9461 179.3412 149 V 3.7767 8.1008 118.0220 66.1098 31.5833 178.1253 150 I 4.0903 8.6705 119.9563 64.8954 36.9787 178.4931 151 T 3.9633 8.3074 116.7847 66.9284 68.1604 176.7638 152 T 3.8502 7.9777 117.5990 66.7339 68.2435 176.7462 153 F 4.1524 7.9790 118.4654 60.4472 38.9624 177.4708 154 R 4.1774 8.4223 118.4424 58.9684 30.0139 177.7282 155 T 4.3006 7.8467 107.6619 60.5614 69.9536 175.2212 156 G 3.5020 7.7824 108.7842 46.1773 0.0000 172.8488 157 T 4.4308 7.2401 107.7482 59.3055 71.7997 173.2497 158 W 4.9783 8.3573 118.6839 56.8650 29.0109 178.2300 159 D 4.4045 8.1017 121.9003 57.6438 40.2925 178.7697 160 A 3.8651 8.1135 119.6035 53.9465 18.5631 177.1420 161 Y 4.5944 8.2871 111.6551 57.4967 40.3652 175.7706 162 K 4.1872 7.7336 125.0072 56.4577 32.2393 175.9659 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.28 4.51 0.00 2.95 2.99 0.00 0.00 5.75 6.80 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 3 I 8.39 3.53 1.84 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 1.21 0.29 0.66 0.00 0.00 4 F 9.11 4.21 0.00 3.09 3.19 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 5 E 7.75 4.25 0.00 1.98 1.82 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 2.30 2.24 0.00 *7 L 7.97 4.19 0.00 1.90 1.54 0.30 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.37 3.63 0.00 1.95 2.15 0.00 2.97 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 9 I 7.54 3.69 2.05 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 0.76 1.06 0.00 0.00 10 D 8.16 4.57 0.00 2.72 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 8.79 4.28 0.00 1.96 2.13 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 2.33 2.38 0.00 12 G 8.15 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 0.00 0.00 0.00 13 L 8.03 4.84 0.00 1.44 1.44 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.74 4.65 0.00 1.43 1.63 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 1.30 1.19 0.00 15 L 8.81 4.46 0.00 1.62 1.94 0.93 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 16 K 7.86 5.15 0.00 1.68 1.75 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.46 7.81 17 I 8.20 4.14 1.89 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 1.29 0.65 0.95 0.00 0.00 18 Y 9.11 5.10 0.00 2.98 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 19 K 8.70 4.88 0.00 1.65 1.66 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.26 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.84 1.31 7.81 20 D 8.86 4.88 0.00 2.95 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 21 T 8.55 3.86 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 8.33 4.06 0.00 1.88 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 23 G 8.15 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 8.08 4.83 0.00 3.16 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 8.33 4.74 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 9.08 5.02 3.19 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 1.11 0.00 0.00 27 I 8.60 4.90 1.92 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 1.51 0.99 0.00 0.00 28 G 9.36 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.87 4.97 1.28 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.53 0.06 0.00 0.00 30 G 8.38 4.14 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 0.00 31 H 8.41 4.44 0.00 3.43 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.07 4.17 0.00 1.55 1.42 1.00 0.92 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 33 L 8.75 4.27 0.00 1.83 1.71 0.98 0.87 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 34 T 7.24 4.29 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 1.30 0.00 0.00 35 K 8.23 3.57 0.00 1.44 1.15 0.00 1.52 0.00 0.00 1.14 0.00 0.00 2.48 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.89 7.81 36 S 7.85 4.27 0.00 3.86 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 4.46 0.00 2.29 2.22 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 38 S 8.20 4.44 0.00 3.97 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 39 L 8.53 3.07 0.00 1.56 1.52 0.41 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.05 4.27 0.00 2.74 2.82 0.00 0.00 7.03 7.27 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 41 A 8.14 3.97 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 7.86 3.91 1.16 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 43 K 8.27 3.81 0.00 1.86 1.83 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.46 7.81 44 S 8.10 4.04 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.18 3.93 0.00 2.19 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 2.51 2.59 0.00 46 L 8.19 3.93 0.00 1.82 1.84 0.94 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.19 4.72 0.00 2.88 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 48 K 8.12 3.92 0.00 1.82 2.03 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 49 A 8.06 4.12 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 50 I 7.88 4.12 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 1.66 0.90 0.92 0.00 0.00 51 G 9.94 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.47 0.00 1.95 2.00 0.00 2.97 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 1.58 1.62 0.00 53 N 8.54 4.88 0.00 2.70 2.80 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 9.32 4.14 4.48 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 1.31 0.00 0.00 55 N 8.46 4.07 0.00 2.82 2.89 0.00 0.00 7.26 7.86 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 56 G 8.23 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 74 A 8.14 3.87 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 75 V 7.79 3.31 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 0.84 0.00 0.00 0.98 0.00 0.00 76 R 8.19 3.95 0.00 2.03 1.93 0.00 3.31 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 1.74 1.78 0.00 77 G 8.04 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.49 3.79 1.63 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.61 0.00 0.00 79 L 7.46 4.00 0.00 1.68 1.69 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.86 4.17 0.00 2.00 2.01 0.00 3.23 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 81 N 7.56 4.62 0.00 3.03 2.79 0.00 0.00 6.90 8.47 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 0.00 135 K 7.46 4.31 0.00 1.94 1.78 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.50 7.81 136 S 7.48 4.70 0.00 4.31 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 0.00 137 R 8.79 3.96 0.00 1.97 2.11 0.00 3.27 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 1.83 1.78 0.00 138 W 8.68 4.59 0.00 3.67 3.67 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 0.00 139 Y 8.35 3.41 0.00 3.04 3.18 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 0.00 140 N 8.08 4.39 0.00 2.96 2.91 0.00 0.00 7.12 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 0.00 141 Q 8.37 4.26 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.26 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 142 T 7.79 4.57 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 1.25 0.00 0.00 143 P 0.00 3.68 0.00 1.86 1.75 0.00 3.74 0.00 0.00 3.68 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 7.78 4.15 0.00 2.73 2.81 0.00 0.00 6.76 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 7.76 3.84 0.00 1.89 1.92 0.00 3.35 0.00 0.00 3.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 146 A 7.81 3.42 0.09 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 0.00 0.00 147 K 8.28 4.00 0.00 1.87 1.87 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.61 1.57 7.81 148 R 7.73 3.77 0.00 1.90 1.40 0.00 2.21 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.59 0.00 149 V 8.10 3.78 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 1.28 0.00 0.00 1.31 0.00 0.00 150 I 8.67 4.09 2.10 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 1.92 0.97 1.06 0.00 0.00 151 T 8.31 3.96 4.45 0.00 0.00 0.00 0.00 0.00 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 7.98 3.85 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 0.63 0.00 0.00 153 F 7.98 4.15 0.00 3.27 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.42 4.18 0.00 1.96 2.13 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 155 T 7.85 4.30 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 1.23 0.00 0.00 156 G 7.78 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.43 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 158 W 8.36 4.98 0.00 3.47 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.10 4.40 0.00 2.72 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 8.11 3.87 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 8.29 4.59 0.00 3.17 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 0.00 162 K 7.73 4.19 0.00 1.68 1.86 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.