NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2882 8.3049 120.3486 55.1085 34.1042 175.2373 2 K 3.9592 7.9197 117.9810 54.8725 31.1159 174.8282 3 K 4.2531 9.1735 125.8334 55.0429 32.9309 176.9443 4 R 4.4048 8.2695 123.8066 53.8916 31.7466 176.3841 5 I 3.9435 8.2812 117.9867 60.3645 36.2993 174.6807 6 I 4.3761 7.4243 119.9094 59.5842 40.6308 171.0504 7 A 3.4748 8.9669 129.9637 51.7836 16.2802 177.5950 8 A 4.3056 8.3960 124.5941 51.4952 20.8870 175.1459 9 A 4.6628 8.5969 125.7630 51.3580 20.3509 175.9467 10 L 4.6952 8.2196 124.3377 54.7668 42.4846 177.2192 11 L 4.0773 7.9347 118.9781 54.8470 42.0219 176.7837 12 A 4.4976 8.0913 125.2795 51.8156 22.1701 171.4226 13 T 3.4344 9.1024 126.3313 63.1212 67.4762 172.9232 14 V 4.2028 7.9719 125.3762 59.9470 31.7960 172.5453 15 A 4.1659 8.2570 129.7483 51.3449 19.6128 177.8070 16 S 4.4446 7.9305 119.1033 56.7094 62.1115 172.9737 17 F 4.5406 7.5930 124.8392 54.8179 41.2130 176.2211 18 S 3.7297 8.3772 116.0677 60.0747 60.9354 173.6796 19 T 4.2723 7.4421 117.2657 62.8479 66.8665 174.4534 20 L 4.6911 7.8693 127.3944 53.0329 44.3254 175.6449 21 A 4.4958 7.8031 120.3038 51.8802 22.2017 172.1242 22 A 3.7733 9.1238 129.7295 51.8623 17.6144 176.4381 23 E 4.1727 8.0094 128.8114 56.6050 31.2853 174.7249 24 Q 4.0489 9.0301 118.7813 55.5462 29.4485 172.7164 25 V 4.3422 7.8805 113.9851 59.5795 34.3284 175.9664 26 S 4.7037 9.4841 118.8323 56.8902 64.9136 174.1517 27 K 3.7672 8.5549 119.0339 59.6542 31.9056 179.5238 28 Q 3.9705 7.9219 117.5003 59.4602 28.6097 178.2330 29 E 4.2193 8.0756 120.2981 58.9670 29.4028 179.1527 30 I 3.4876 7.2496 119.6013 64.5727 36.9692 178.5146 31 S 4.0979 7.8408 112.0236 60.8511 62.2024 175.2567 32 H 4.2170 7.9471 120.5320 58.8918 29.9976 176.7646 33 F 4.3558 8.6938 117.3577 56.7500 40.2953 175.2994 34 K 3.8997 7.8444 118.0927 57.1354 28.4273 174.6484 35 L 4.4577 8.0008 120.9050 53.8604 43.5855 177.1187 36 V 3.9398 8.5680 121.6464 62.1337 32.3574 175.2759 37 K 4.0799 8.8662 130.6970 56.6898 32.2019 176.5107 38 V 4.0956 9.2624 120.5713 60.8523 32.6869 176.1711 39 G 3.7786 6.8078 107.6766 44.1252 0.0000 172.1685 40 T 4.9752 8.0123 115.8321 61.6460 72.2892 173.6301 41 I 4.5039 9.0125 119.8804 59.1258 40.3162 174.0637 42 N 5.2450 8.6946 122.8292 51.4761 40.9536 174.2396 43 V 3.9990 9.0839 125.4685 61.8947 32.6402 174.7198 44 S 5.1176 8.6463 124.0091 56.7983 63.6635 172.6939 45 Q 4.8514 9.4364 129.0300 54.2605 32.3810 173.9396 46 S 4.8267 8.4961 118.0442 57.4809 64.5435 174.5714 47 G 3.8742 9.3225 115.7673 46.0824 0.0000 174.8616 48 G 4.0866 8.2473 105.2966 45.0227 0.0000 174.0256 49 Q 4.0433 7.9697 119.1624 58.1875 29.5292 177.5178 50 I 4.2480 7.4403 117.9752 59.9913 38.4047 175.2325 51 S 4.4993 8.8222 121.1837 59.2720 64.5386 174.2795 52 S 4.7766 8.5124 113.5623 54.6145 66.0791 173.0050 53 P 4.2648 0.0000 0.0000 66.0519 30.5778 178.7228 54 S 4.1229 8.0331 114.6305 61.8102 62.8174 176.1936 55 D 4.3241 7.9847 121.1011 57.0170 40.3881 178.5931 56 L 3.8959 7.7867 120.4917 58.1857 42.1175 178.7519 57 R 3.8799 8.1235 118.6288 59.4238 29.8937 178.0919 58 E 3.9728 8.3711 118.4091 59.6971 29.5553 179.7181 59 K 4.0028 8.0233 118.1981 59.1994 32.0573 179.5328 60 L 3.8339 8.1487 119.7748 57.8104 41.4747 179.5225 61 S 4.2250 8.4088 113.3324 61.1546 62.3928 175.6164 62 E 3.9207 8.3978 122.2499 59.4951 29.2157 178.9845 63 L 4.0410 8.1025 118.6506 57.6759 41.7027 179.3341 64 A 4.0275 8.1240 120.8598 55.0638 17.7734 179.0937 65 D 4.2455 8.2321 116.4315 57.4232 41.1528 177.8877 66 A 4.2560 7.4632 117.5209 53.3160 18.7327 178.4754 67 K 4.3163 7.6689 115.9600 55.7680 32.9509 176.9541 68 G 3.8516 8.1834 105.9561 46.0315 0.0000 173.4258 69 G 4.2008 7.8082 107.0134 43.2532 0.0000 173.9751 70 K 4.0168 8.5350 122.0760 57.9295 33.1183 176.8709 71 Y 4.8622 8.0399 116.9669 56.1336 41.7840 174.8645 72 Y 5.2692 8.0578 120.7160 55.9073 41.3043 174.6573 73 H 5.1507 9.8604 119.0629 54.5036 32.7894 172.2401 74 I 4.4136 8.7956 127.8965 61.5370 36.9094 176.0961 75 I 4.3235 8.3371 120.0721 61.0625 39.8160 175.6117 76 A 4.2139 7.5848 118.7178 51.4895 21.3389 175.0212 77 A 4.8649 8.7625 124.5850 51.1436 20.0893 175.5075 78 R 4.7395 8.4749 117.3341 55.3225 33.7766 174.4086 79 E 4.8738 8.7210 118.6426 55.9287 30.9645 176.5139 80 H 4.8322 8.8234 121.9882 54.5602 31.0790 175.3997 81 G 3.8554 8.0328 118.0391 45.8648 0.0000 171.1639 82 P 4.5030 0.0000 0.0000 63.1217 31.9887 174.7253 83 N 5.4970 8.0381 116.9430 51.6272 42.5212 173.1284 84 F 5.1065 9.3954 122.3267 56.5694 42.4880 173.4087 85 E 4.8662 8.7329 126.0549 54.5515 32.0729 174.8660 86 A 4.6804 8.7568 128.1431 50.0228 21.4447 175.1463 87 V 4.4462 8.8717 123.7175 61.5639 33.4463 174.6430 88 A 5.1629 8.8599 129.3355 50.3330 22.6501 174.6527 89 E 4.6564 9.3699 121.6026 55.4299 32.0268 175.3682 90 V 4.8650 8.5310 122.7413 61.5860 34.0225 174.2176 91 Y 5.3665 9.4141 124.6323 56.3371 42.3948 173.8314 92 N 5.5202 9.2729 120.5508 51.3746 43.2348 173.2481 93 D 4.8122 8.8999 121.5511 54.2541 42.0781 176.9929 94 A 4.4436 8.3664 125.2971 50.3793 16.0360 175.6257 95 T 4.0985 7.8798 120.1981 60.3333 71.8041 174.7844 96 K 4.0577 8.2244 117.8911 56.4886 30.7637 175.6217 97 L 4.6510 7.1260 118.1517 53.2564 43.9043 173.5344 98 E 4.6155 8.0264 118.1234 55.9268 32.5282 175.1973 99 H 4.4396 9.1463 118.0763 56.9608 29.9397 174.7857 100 H 4.9673 7.4839 114.5062 54.8011 31.3421 172.8500 101 H 4.6102 8.5664 120.9743 55.3676 31.1977 169.2744 102 H 4.3060 9.1847 134.4304 56.1432 30.8992 173.0414 103 H 4.3433 8.6046 124.9136 58.3010 33.3686 173.0860 *104 H 4.5266 8.1609 118.7682 54.7178 28.6284 174.5538 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 8.30 4.29 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 7.92 3.96 0.00 1.87 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 K 9.17 4.25 0.00 1.74 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.63 7.81 4 R 8.27 4.40 0.00 1.74 1.83 0.00 3.21 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 5 I 8.28 3.94 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 1.47 0.40 0.91 0.00 0.00 6 I 7.42 4.38 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 1.57 0.73 0.95 0.00 0.00 7 A 8.97 3.47 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 8 A 8.40 4.31 1.21 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 0.00 0.00 9 A 8.60 4.66 1.23 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 0.00 0.00 10 L 8.22 4.70 0.00 1.64 1.68 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.93 4.08 0.00 1.63 1.62 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.09 4.50 1.19 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 0.00 0.00 13 T 9.10 3.43 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 1.24 0.00 0.00 14 V 7.97 4.20 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 0.68 0.00 0.00 0.90 0.00 0.00 15 A 8.26 4.17 1.25 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 0.00 0.00 0.00 16 S 7.93 4.44 0.00 3.89 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 17 F 7.59 4.54 0.00 3.11 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 18 S 8.38 3.73 0.00 4.02 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 19 T 7.44 4.27 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 1.24 0.00 0.00 20 L 7.87 4.69 0.00 1.63 1.64 0.93 0.79 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 21 A 7.80 4.50 1.19 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 0.00 0.00 22 A 9.12 3.77 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 23 E 8.01 4.17 0.00 1.88 1.58 0.00 0.00 0.00 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 2.48 0.00 24 Q 9.03 4.05 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.53 0.00 0.00 0.00 0.00 0.00 2.06 1.46 0.00 25 V 7.88 4.34 1.76 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 -0.06 0.00 0.00 0.69 0.00 0.00 26 S 9.48 4.70 0.00 3.73 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 27 K 8.55 3.77 0.00 1.95 1.78 0.00 1.61 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.53 7.81 28 Q 7.92 3.97 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 29 E 8.08 4.22 0.00 1.97 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 2.32 2.53 0.00 30 I 7.25 3.49 1.73 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.49 0.44 0.00 0.00 31 S 7.84 4.10 0.00 3.84 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 32 H 7.95 4.22 0.00 3.34 3.03 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.69 4.36 0.00 3.07 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 34 K 7.84 3.90 0.00 1.95 1.88 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 35 L 8.00 4.46 0.00 1.51 1.86 0.71 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.57 3.94 2.25 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 1.02 0.00 0.00 1.01 0.00 0.00 37 K 8.87 4.08 0.00 1.88 1.74 0.00 1.35 0.00 0.00 0.71 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.39 7.81 38 V 9.26 4.10 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 0.90 0.00 0.00 0.91 0.00 0.00 39 G 6.81 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.01 4.98 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 1.24 0.00 0.00 41 I 9.01 4.50 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.90 0.00 0.00 42 N 8.69 5.25 0.00 2.54 2.71 0.00 0.00 6.88 7.64 0.00 0.00 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 V 9.08 4.00 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 1.05 0.00 0.00 0.90 0.00 0.00 44 S 8.65 5.12 0.00 3.88 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 45 Q 9.44 4.85 0.00 2.37 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 46 S 8.50 4.83 0.00 3.89 3.70 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 47 G 9.32 3.87 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 0.00 0.00 0.00 48 G 8.25 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 0.00 0.00 0.00 49 Q 7.97 4.04 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.70 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 50 I 7.44 4.25 1.51 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 1.34 0.68 0.69 0.00 0.00 51 S 8.82 4.50 0.00 3.94 3.85 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 52 S 8.51 4.78 0.00 3.88 3.88 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 0.00 0.00 0.00 0.00 53 P 0.00 4.26 0.00 2.30 2.37 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 54 S 8.03 4.12 0.00 3.88 3.96 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 0.00 0.00 0.00 55 D 7.98 4.32 0.00 2.77 2.68 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 0.00 0.00 0.00 0.00 56 L 7.79 3.90 0.00 1.71 1.89 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.12 3.88 0.00 1.99 2.18 0.00 3.21 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 58 E 8.37 3.97 0.00 2.20 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 2.57 2.51 0.00 59 K 8.02 4.00 0.00 1.91 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.62 7.81 60 L 8.15 3.83 0.00 1.53 0.84 0.31 0.61 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 61 S 8.41 4.22 0.00 4.06 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 62 E 8.40 3.92 0.00 2.26 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 2.31 2.41 0.00 63 L 8.10 4.04 0.00 1.73 1.69 0.90 0.74 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 64 A 8.12 4.03 1.54 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 0.00 0.00 65 D 8.23 4.25 0.00 2.85 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 66 A 7.46 4.26 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 67 K 7.67 4.32 0.00 1.92 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.57 7.81 68 G 8.18 3.85 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 0.00 0.00 0.00 69 G 7.81 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 0.00 0.00 0.00 0.00 70 K 8.54 4.02 0.00 0.79 1.02 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.22 1.44 7.81 71 Y 8.04 4.86 0.00 2.95 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 72 Y 8.06 5.27 0.00 2.98 3.04 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 0.00 0.00 0.00 73 H 9.86 5.15 0.00 3.28 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.80 4.41 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 0.94 0.00 0.00 75 I 8.34 4.32 1.89 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 1.33 0.63 1.03 0.00 0.00 76 A 7.58 4.21 1.19 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 0.00 0.00 77 A 8.76 4.86 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 78 R 8.47 4.74 0.00 1.80 1.95 0.00 2.72 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 79 E 8.72 4.87 0.00 2.05 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 2.53 2.48 0.00 80 H 8.82 4.83 0.00 3.01 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.03 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 0.00 0.00 0.00 82 P 0.00 4.50 0.00 2.24 2.30 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 83 N 8.04 5.50 0.00 2.86 3.02 0.00 0.00 6.38 7.48 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 84 F 9.40 5.11 0.00 3.04 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 85 E 8.73 4.87 0.00 1.66 1.66 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 0.00 2.13 2.25 0.00 86 A 8.76 4.68 1.13 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 0.00 0.00 87 V 8.87 4.45 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 0.98 0.00 0.00 0.89 0.00 0.00 88 A 8.86 5.16 1.19 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 0.00 0.00 89 E 9.37 4.66 0.00 2.29 1.79 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 2.33 2.37 0.00 90 V 8.53 4.87 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 1.09 0.00 0.00 0.94 0.00 0.00 91 Y 9.41 5.37 0.00 3.03 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 92 N 9.27 5.52 0.00 2.76 2.68 0.00 0.00 7.52 8.32 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 93 D 8.90 4.81 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.44 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 95 T 7.88 4.10 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 1.27 0.00 0.00 96 K 8.22 4.06 0.00 2.00 1.98 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.55 7.81 97 L 7.13 4.65 0.00 1.67 1.63 0.92 0.74 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 98 E 8.03 4.62 0.00 1.91 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 2.26 2.25 0.00 99 H 9.15 4.44 0.00 3.00 3.13 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 H 7.48 4.97 0.00 3.23 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.57 4.61 0.00 3.06 3.19 0.00 6.01 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.18 4.31 0.00 3.40 3.42 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.60 4.34 0.00 3.05 3.16 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *104 H 8.16 4.53 0.00 2.98 3.08 0.00 5.92 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 * Residues marked with a * may have inaccurate shift predictions.