NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 L 4.3521 8.0276 120.6283 54.2442 42.7709 179.7528 32 E 3.7500 9.4712 128.2318 59.0582 29.6678 174.9648 33 E 4.0276 8.3291 120.6300 58.5889 30.8723 178.1770 34 Q 4.5862 7.9379 119.8442 56.1509 28.8313 175.5157 35 L 4.6085 7.6545 118.9409 55.4567 44.5799 176.8401 36 N 4.3798 8.1879 114.7618 54.7751 39.6226 175.6065 37 K 4.3016 7.9179 117.9460 58.9840 32.5377 177.2389 38 S 4.4716 7.2760 113.1964 58.6974 63.0006 174.8597 39 L 4.5866 7.6450 123.8424 55.1974 43.3235 178.4599 40 K 3.9582 7.7629 118.4152 59.9848 31.9981 179.2280 41 T 3.9374 7.8546 113.9562 66.6892 68.6048 176.3315 42 I 3.8749 7.6855 121.0553 64.3197 37.1198 178.1758 43 A 4.1796 7.9963 121.5565 54.9206 18.1204 179.2409 44 S 4.1801 8.5453 111.4446 60.7297 62.1082 176.0249 45 Q 4.0020 8.5475 121.7328 59.0570 28.4240 178.0193 46 K 4.0290 7.9626 119.6823 60.1346 32.4611 177.1072 47 A 4.1992 8.3949 121.3435 52.7081 18.0712 178.9355 48 A 4.0448 7.9829 120.7734 54.8965 18.9186 179.0385 49 I 3.9620 10.1484 118.8478 63.0271 36.7738 177.4236 50 E 3.6582 7.5909 125.1610 59.4788 29.8833 178.6907 51 N 4.3917 8.8236 117.8818 56.9653 38.9409 176.1500 52 Y 3.9929 7.9454 120.1972 61.4972 38.9671 176.5987 53 N 4.3176 9.5263 117.8698 56.1841 38.4283 176.9635 54 Q 4.0918 9.1509 119.5622 59.6593 28.4830 180.1246 55 L 3.9351 7.5463 118.0035 57.6528 41.5776 179.4944 56 K 4.2498 8.3991 120.1215 59.3780 31.8255 178.3450 57 E 4.0331 8.9781 120.2269 59.4934 29.5280 178.5406 58 D 4.3625 8.2955 118.9763 57.4995 40.9285 177.8495 59 Y 4.2615 9.3786 120.1908 61.0553 38.6427 178.3424 60 N 3.9647 8.8102 117.7152 56.5458 38.6562 177.4454 61 T 3.8457 9.2700 117.1249 66.6913 68.6482 176.3860 62 L 3.9172 8.7643 123.1627 57.9896 42.2277 178.7665 63 K 3.8030 8.1702 119.4731 58.8376 31.8711 178.9160 64 R 3.8831 8.1357 118.9064 59.3980 30.1901 178.2968 65 E 4.2299 7.8261 118.3503 58.8728 29.4302 177.6452 66 L 3.9995 7.8559 121.2426 58.3262 42.0279 178.7901 67 S 4.9961 8.0134 115.2566 60.9265 62.9578 176.0551 68 D 4.5447 8.2301 123.0154 56.5569 41.1758 177.8005 69 R 4.0617 8.0906 119.5960 59.2641 30.2032 177.8404 70 D 4.5407 8.2688 118.9419 57.5604 40.3740 178.8531 71 D 4.3007 7.8956 118.8755 57.5755 40.8544 178.6305 72 E 3.9686 8.1129 118.4354 59.3538 29.3406 179.1968 73 V 3.5766 8.1567 118.6528 66.7829 31.5469 177.7634 74 K 4.0733 9.3195 119.6183 58.6033 31.8765 179.2068 75 R 3.9003 8.8915 118.2234 59.8498 30.2747 179.0581 76 L 4.2683 7.9589 121.0397 57.5504 41.8659 178.9779 77 R 4.0057 7.6953 116.9643 58.2027 30.4821 177.6342 78 E 4.2599 8.2310 118.7123 57.7682 29.3927 177.6202 79 D 4.5000 8.0387 119.0927 57.0604 40.9666 178.1783 80 I 4.2730 7.8654 120.7289 62.4472 36.8266 177.7393 81 A 4.1402 7.4920 120.7660 54.2423 18.2233 179.1639 82 K 4.1671 7.8093 116.4837 58.1935 31.8006 178.3823 83 E 4.4535 7.7654 118.1257 57.7249 30.4635 177.6136 84 N 4.4517 8.4646 116.7368 55.6853 38.3620 177.0752 85 E 4.1217 7.7578 118.9644 59.0751 30.0642 178.7693 86 L 3.9921 7.4767 117.4675 57.7068 41.3645 180.0141 87 R 3.9345 9.1568 118.9169 59.6763 29.9241 179.2581 88 T 4.1087 7.4546 112.7228 65.8501 68.2291 176.2003 89 K 4.3147 8.3841 119.5661 57.3868 32.5273 178.1236 90 A 4.2256 7.9062 119.7089 53.8385 18.6193 178.8122 91 E 4.1174 7.6950 117.7823 58.9384 29.1815 178.4801 92 E 3.9515 7.8011 117.5737 59.9041 29.1499 179.5057 93 E 4.0461 8.1712 117.4736 59.0763 29.5754 179.1741 94 A 3.9742 7.9319 120.9175 55.3537 18.4928 179.1205 95 D 4.3586 7.5208 113.1164 57.2538 41.0704 178.9869 96 K 3.9425 7.5849 117.8569 59.4611 31.4144 179.1307 97 L 3.9903 7.8664 118.6695 58.0668 41.5372 178.6859 98 N 4.2506 8.0668 116.0376 56.7955 38.4746 177.3445 99 K 3.8639 8.0345 119.1541 59.5326 31.9436 179.1871 100 E 3.9948 7.9020 118.8500 59.1029 29.9400 178.8382 101 V 3.6910 9.0961 118.4737 66.6504 31.6199 176.8015 102 E 3.7026 8.8462 117.9315 60.7438 29.4613 178.5120 103 D 3.9681 8.2475 117.6031 56.8983 40.9108 178.6619 104 L 4.1750 7.7689 118.5704 56.7832 41.9156 178.6766 105 T 4.2591 7.5569 115.0579 65.8792 69.1199 176.5359 106 A 4.0542 8.6505 123.7347 55.2005 17.8939 179.7982 107 S 4.0880 7.9834 112.2548 62.1922 62.9368 176.2276 108 L 4.8932 8.0102 124.4015 56.8112 41.2292 179.1169 109 F 3.8411 8.1641 118.8258 61.9655 39.6742 177.1662 110 D 4.4458 8.4586 118.2962 57.6499 40.6763 179.3225 111 E 3.9199 7.9440 117.2912 59.2411 29.7252 178.7065 112 A 3.8977 8.0572 122.3955 55.0223 18.2863 179.4106 113 N 4.0671 8.0942 114.7023 56.4526 38.5501 176.6634 114 N 4.1972 8.3021 118.6517 57.1316 38.2987 176.6507 115 L 3.9217 9.2556 119.8632 57.9471 41.8893 179.8741 116 V 3.9346 8.3723 118.0017 65.7050 31.0624 177.8831 117 A 3.9612 8.3163 120.5252 54.8247 18.3876 178.5789 118 D 4.3006 8.3762 116.0044 57.7750 41.6092 177.9354 119 A 3.9905 9.3197 121.3417 54.9356 17.8606 179.2025 120 R 3.3745 7.8098 115.5407 57.3197 31.4818 178.1445 *122 E 4.0947 8.2062 118.2123 55.8250 31.7858 178.3085 123 K 3.9634 8.4340 118.4111 59.7967 32.1211 178.3604 124 Y 4.8006 7.5260 112.7099 59.0959 38.1634 177.4428 125 A 4.3505 8.5225 123.4052 54.6227 19.1880 179.5902 126 I 3.6533 7.6844 117.9992 64.5828 37.1926 178.1178 127 E 4.0556 8.1768 118.3988 59.8026 28.8790 179.3482 128 I 3.9322 7.5811 119.8863 63.8124 37.4241 177.4047 129 L 4.0727 7.9314 121.1649 58.1340 41.9588 178.3330 130 N 4.4565 8.5982 116.5552 56.6020 38.5306 177.2331 131 K 3.8663 7.7126 119.1976 59.8749 32.0621 179.4637 132 R 3.9418 8.5281 117.8581 58.6934 30.1181 177.4565 133 L 4.2545 8.7166 119.8538 56.3406 42.5703 177.4405 134 T 4.4562 7.8421 108.3544 62.4180 69.4870 175.5851 135 E 4.0980 7.6665 120.4005 56.7925 29.0779 176.7227 136 Q 4.5645 7.7570 115.9375 55.6011 30.9283 175.7209 137 L 4.1545 8.0180 121.9270 55.1128 41.6039 176.8092 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 31 L 8.03 4.35 0.00 1.69 1.02 0.92 0.54 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 32 E 9.47 3.75 0.00 2.15 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 0.00 2.28 2.30 0.00 33 E 8.33 4.03 0.00 1.95 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 2.32 2.29 0.00 34 Q 7.94 4.59 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 35 L 7.65 4.61 0.00 1.66 1.57 0.92 0.51 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 36 N 8.19 4.38 0.00 2.70 2.82 0.00 0.00 6.86 6.68 0.00 0.00 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 K 7.92 4.30 0.00 1.90 1.76 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 38 S 7.28 4.47 0.00 4.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.64 4.59 0.00 1.93 1.72 0.92 0.49 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 40 K 7.76 3.96 0.00 2.10 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 41 T 7.85 3.94 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 42 I 7.69 3.87 2.00 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 1.64 0.82 0.91 0.00 0.00 43 A 8.00 4.18 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 44 S 8.55 4.18 0.00 3.94 4.06 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 45 Q 8.55 4.00 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.36 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 46 K 7.96 4.03 0.00 1.94 1.83 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.57 7.81 47 A 8.39 4.20 1.32 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 0.00 0.00 48 A 7.98 4.04 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 49 I 10.15 3.96 2.10 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 1.64 1.11 0.95 0.00 0.00 50 E 7.59 3.66 0.00 2.05 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 2.46 2.50 0.00 51 N 8.82 4.39 0.00 3.07 3.00 0.00 0.00 6.66 7.61 0.00 0.00 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 Y 7.95 3.99 0.00 3.26 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 53 N 9.53 4.32 0.00 2.86 2.80 0.00 0.00 7.06 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 54 Q 9.15 4.09 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 55 L 7.55 3.94 0.00 1.81 1.60 0.87 0.79 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 56 K 8.40 4.25 0.00 1.54 1.90 0.00 1.60 0.00 0.00 1.28 0.00 0.00 3.18 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.51 1.59 7.81 57 E 8.98 4.03 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 58 D 8.30 4.36 0.00 2.87 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 59 Y 9.38 4.26 0.00 2.96 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 60 N 8.81 3.96 0.00 2.85 2.75 0.00 0.00 7.06 5.12 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 61 T 9.27 3.85 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 1.19 0.00 0.00 62 L 8.76 3.92 0.00 1.77 1.77 0.91 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.17 3.80 0.00 1.43 1.51 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.18 7.81 64 R 8.14 3.88 0.00 2.02 1.91 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 65 E 7.83 4.23 0.00 1.98 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 2.29 2.30 0.00 66 L 7.86 4.00 0.00 1.78 1.65 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.01 5.00 0.00 4.20 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 68 D 8.23 4.54 0.00 2.81 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 69 R 8.09 4.06 0.00 2.21 2.03 0.00 3.21 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 70 D 8.27 4.54 0.00 2.83 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 71 D 7.90 4.30 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.11 3.97 0.00 2.13 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 2.36 0.00 73 V 8.16 3.58 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 1.03 0.00 0.00 0.99 0.00 0.00 74 K 9.32 4.07 0.00 1.72 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 75 R 8.89 3.90 0.00 1.90 2.00 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 76 L 7.96 4.27 0.00 1.91 1.60 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.70 4.01 0.00 1.99 1.97 0.00 3.28 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 78 E 8.23 4.26 0.00 2.13 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 2.26 2.33 0.00 79 D 8.04 4.50 0.00 2.90 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 80 I 7.87 4.27 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 1.67 1.37 0.91 0.00 0.00 81 A 7.49 4.14 1.47 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 0.00 0.00 82 K 7.81 4.17 0.00 1.87 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.62 7.81 83 E 7.77 4.45 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 84 N 8.46 4.45 0.00 2.70 2.87 0.00 0.00 6.92 7.23 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 85 E 7.76 4.12 0.00 2.05 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 2.29 2.52 0.00 86 L 7.48 3.99 0.00 1.77 1.71 0.92 0.93 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 87 R 9.16 3.93 0.00 1.69 1.96 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 88 T 7.45 4.11 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 1.21 0.00 0.00 89 K 8.38 4.31 0.00 1.87 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.55 7.81 90 A 7.91 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.69 4.12 0.00 2.13 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 2.32 2.59 0.00 92 E 7.80 3.95 0.00 2.22 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 2.38 0.00 93 E 8.17 4.05 0.00 2.00 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 2.40 2.37 0.00 94 A 7.93 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 95 D 7.52 4.36 0.00 2.77 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 96 K 7.58 3.94 0.00 2.09 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.80 7.81 97 L 7.87 3.99 0.00 1.82 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.07 4.25 0.00 2.91 2.85 0.00 0.00 7.05 7.67 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 99 K 8.03 3.86 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.60 7.81 100 E 7.90 3.99 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 101 V 9.10 3.69 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 0.93 0.00 0.00 0.99 0.00 0.00 102 E 8.85 3.70 0.00 2.01 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 2.37 0.00 103 D 8.25 3.97 0.00 2.78 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 0.00 104 L 7.77 4.17 0.00 1.82 1.73 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.56 4.26 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 1.20 0.00 0.00 106 A 8.65 4.05 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 0.00 107 S 7.98 4.09 0.00 4.11 4.30 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 0.00 108 L 8.01 4.89 0.00 1.88 1.75 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.16 3.84 0.00 3.08 3.07 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 0.00 110 D 8.46 4.45 0.00 2.74 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 0.00 111 E 7.94 3.92 0.00 2.18 2.37 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 2.52 2.29 0.00 112 A 8.06 3.90 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 0.00 113 N 8.09 4.07 0.00 2.80 2.78 0.00 0.00 6.68 7.52 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 0.00 114 N 8.30 4.20 0.00 2.80 2.94 0.00 0.00 7.29 6.70 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 0.00 115 L 9.26 3.92 0.00 1.68 1.65 0.89 0.79 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 0.00 116 V 8.37 3.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 117 A 8.32 3.96 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 0.00 118 D 8.38 4.30 0.00 2.64 2.83 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 0.00 119 A 9.32 3.99 1.28 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 0.00 0.00 120 R 7.81 3.37 0.00 1.92 1.67 0.00 3.20 0.00 0.00 2.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 *122 E 8.21 4.09 0.00 2.15 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 2.27 2.30 0.00 123 K 8.43 3.96 0.00 1.61 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 124 Y 7.53 4.80 0.00 2.79 2.91 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 0.00 125 A 8.52 4.35 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.68 3.65 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.87 1.00 0.00 0.00 127 E 8.18 4.06 0.00 2.22 2.30 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 2.57 2.40 0.00 128 I 7.58 3.93 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.06 0.91 0.00 0.00 129 L 7.93 4.07 0.00 1.78 1.83 0.92 0.45 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 0.00 130 N 8.60 4.46 0.00 2.81 2.89 0.00 0.00 7.15 6.91 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 0.00 131 K 7.71 3.87 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 132 R 8.53 3.94 0.00 1.76 2.01 0.00 3.25 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 133 L 8.72 4.25 0.00 1.66 1.73 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.84 4.46 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 1.23 0.00 0.00 135 E 7.67 4.10 0.00 2.00 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 2.32 2.32 0.00 136 Q 7.76 4.56 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 137 L 8.02 4.15 0.00 1.63 1.60 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.