NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0886 8.1400 114.8358 57.8148 64.5308 174.0147 2 L 4.1087 8.5460 121.0797 57.1205 41.3272 176.8983 3 L 3.9949 8.8649 121.6036 58.3331 42.4104 178.2815 4 E 4.1391 8.0595 117.7489 59.2982 29.5370 178.7581 5 F 4.6064 8.6197 120.8992 61.4486 39.4825 177.4339 6 G 3.4952 8.9418 105.9370 47.5244 0.0000 175.6720 7 K 4.0454 7.8549 121.7936 59.4292 32.2148 178.8685 8 M 4.0699 8.2815 119.0653 58.4675 31.9251 178.5508 9 I 3.5175 7.6951 120.0558 64.3146 37.2707 178.1030 10 L 4.5078 7.6483 122.0625 57.9313 41.7437 178.9346 11 E 4.1213 8.0691 116.8818 59.1639 29.4007 178.6012 12 E 4.3005 8.2488 117.8046 57.8671 30.0761 177.7554 13 T 4.4848 8.5551 107.7671 60.6975 70.5973 175.6335 14 G 3.7879 8.3585 110.2576 45.6638 0.0000 173.1530 *16 K 4.4677 7.4085 117.5656 56.2549 33.3989 174.3612 17 L 4.7266 8.0497 120.0210 53.2392 43.2870 177.3256 18 A 3.9804 8.7274 127.1938 55.0500 18.3372 177.0229 19 I 4.9863 7.9490 115.0936 58.6354 38.2782 173.9618 20 P 4.7556 0.0000 0.0000 62.6751 32.2402 177.3654 21 S 4.0876 7.6747 115.0834 60.7773 62.7497 174.8891 22 Y 4.6142 8.4532 114.9377 57.3979 38.2390 176.1200 23 S 4.5402 8.0495 115.0702 58.3054 65.1283 174.1794 24 S 4.7449 7.8216 117.1864 58.1239 63.8142 173.0906 25 Y 4.8069 8.2079 121.1924 56.5413 42.0878 175.1956 26 G 3.5505 8.5087 117.4210 46.5321 0.0000 172.7565 27 C 4.4418 9.1218 116.1167 58.4390 40.7694 174.0698 28 Y 4.6114 8.7821 114.2911 57.2243 39.4667 175.7844 29 C 4.7875 8.5028 118.3106 55.6323 39.7800 173.9497 30 G 3.8383 6.6256 117.1198 45.6636 0.0000 171.0864 31 W 4.7863 8.6829 125.8598 55.9655 30.2914 174.9216 32 G 4.1184 8.0821 108.3904 44.4249 0.0000 174.5819 33 G 4.3288 8.3705 110.3480 44.7030 0.0000 172.4886 34 K 4.5240 7.4808 117.7731 55.3606 35.6803 175.5806 35 G 3.8959 8.9528 110.2483 45.1141 0.0000 172.0366 36 T 4.4939 7.9075 114.5925 60.7602 69.9941 173.3300 37 P 4.6034 0.0000 0.0000 63.2409 31.8806 176.7397 38 K 3.8897 8.7028 121.7251 58.9067 32.4678 176.1196 39 D 4.4539 7.1966 115.4985 51.3593 41.6334 174.8685 40 A 3.9840 8.8087 120.0330 56.1386 18.5458 179.6171 41 T 4.0977 7.9695 113.5985 67.0155 68.6071 176.2313 42 D 4.5349 8.9596 120.2452 57.4655 41.2167 178.4757 43 R 4.0752 8.3418 118.7460 59.0408 29.9582 178.3735 44 C 4.3688 8.2842 116.9142 60.2391 38.5822 175.3886 45 C 4.3450 8.3291 117.6600 59.6303 41.0633 175.8229 46 F 3.6707 8.2272 122.6148 61.1475 38.8974 177.4788 47 V 3.3340 7.7704 117.8859 66.0108 31.3401 177.4910 48 H 3.8039 7.9351 118.2161 59.0602 29.5456 177.0731 49 D 4.1017 7.6913 120.7505 57.4832 40.5200 178.1328 50 C 4.0658 7.7515 117.0281 59.8753 39.8403 175.3478 51 C 4.1101 7.8639 119.6220 59.8827 42.6221 175.0002 52 Y 4.3390 7.8595 118.2809 60.8580 37.1849 178.3430 53 G 3.6857 8.0659 106.2833 47.6345 0.0000 174.5492 54 N 4.7106 7.6461 115.8571 53.1990 39.8718 175.3155 55 L 4.8393 7.7070 120.0417 52.8245 42.0193 175.0184 56 P 4.2320 0.0000 0.0000 65.8152 32.1861 178.1740 *59 D 4.9697 7.7841 117.0962 54.2440 42.3750 175.5317 *61 C 5.1139 7.7935 115.1387 57.2448 37.7214 172.9286 *67 N 4.5977 7.9379 117.0047 52.9228 39.0012 172.5581 68 P 3.8345 0.0000 0.0000 64.9265 31.7362 178.2595 69 K 4.4801 7.8946 113.3749 57.7196 33.2012 177.1675 70 S 4.5197 7.6966 114.5163 59.4690 65.0826 173.6746 71 D 4.5597 8.4973 120.3706 53.6184 39.8147 176.2798 72 R 4.1900 8.3444 124.0369 55.9109 30.8295 175.6233 73 Y 4.9677 7.5546 118.6602 55.3953 41.4803 174.0595 74 K 4.9137 8.6041 118.1523 55.0483 34.8748 175.2776 75 Y 5.3354 8.2852 120.5548 56.2327 41.1086 173.2798 76 K 4.4065 8.9226 118.7123 56.0867 37.0393 174.3869 77 R 5.1655 8.4420 119.0747 54.5986 31.9596 176.5113 78 V 4.1989 8.8091 123.5900 61.8740 33.6311 174.7462 79 N 4.3579 10.0289 125.4500 54.6849 37.1396 174.4746 80 G 3.9885 8.7897 105.9113 44.4059 0.0000 174.1888 81 A 4.7150 7.5457 121.4584 50.2274 21.1230 175.6478 82 I 4.5523 8.1328 121.0016 61.1027 38.3300 175.7246 83 V 4.3487 9.1558 127.5224 61.1915 34.0128 173.8307 84 C 4.8656 8.8928 126.2681 56.1170 40.3324 173.5841 85 E 4.2832 8.5589 124.5642 55.7657 30.0995 177.4645 86 K 3.8314 8.6815 124.3331 56.7351 33.2101 175.7668 *88 G 4.1644 8.2935 115.4074 45.2788 0.0000 172.5575 89 T 4.1130 8.4976 112.0253 61.5531 70.8901 175.3991 90 S 4.1173 8.5859 117.7474 62.0478 62.7640 177.7878 91 C 4.1948 8.0546 118.4620 60.0574 41.0892 175.4165 92 E 3.9243 8.1304 120.0502 59.8883 29.1601 179.5663 93 N 4.2247 8.1198 115.9778 56.4514 38.6276 177.8480 94 R 3.9047 7.8607 119.3275 59.0370 30.0853 179.2118 95 I 3.6163 8.2404 120.1679 64.3831 37.0504 177.6250 96 C 3.2966 7.7247 119.3989 59.3518 42.5120 175.5276 97 E 3.8250 8.0764 120.1749 59.3454 28.8379 178.7146 98 C 4.2091 7.9897 116.8069 59.8639 41.3388 175.8886 99 D 3.7878 8.0529 120.4827 57.1143 40.4772 178.4707 100 K 3.7008 8.2624 120.3081 59.6636 32.0693 178.5143 101 A 3.8755 7.9228 120.5646 55.0249 18.2110 179.4850 102 A 3.5399 7.5927 119.2060 54.7809 18.4375 179.7389 103 A 3.5166 7.9369 119.4242 55.1973 18.3480 180.0054 104 I 3.6268 7.5938 118.4004 64.4884 36.9288 177.8012 105 C 4.2035 7.6548 118.4786 59.5816 40.6182 175.3318 106 F 4.6244 8.1604 119.8035 60.6045 38.4238 177.4066 107 R 3.9011 7.9867 118.2467 59.7873 29.7268 178.4867 108 Q 4.2513 8.2365 115.4904 57.6853 28.8119 176.7339 109 N 5.0464 7.8774 116.3079 52.6809 39.6555 176.1233 110 L 4.0582 7.9373 121.0594 57.7177 41.7811 178.9317 111 N 4.6061 8.2244 114.4067 54.7067 37.4775 175.4379 112 T 4.6225 8.1572 107.9814 61.1375 69.3275 173.0376 113 Y 4.0657 7.9996 124.9579 57.9085 39.2729 174.4368 114 S 4.9845 8.8814 122.1996 56.1143 64.5800 174.8218 115 K 4.1944 8.6721 126.6246 58.3870 32.0913 178.8416 116 K 3.7692 7.4164 119.9100 58.8295 32.2004 176.8426 117 Y 4.2756 7.3149 114.8007 57.7275 38.0810 175.0907 118 M 4.5228 7.3417 120.5573 56.1247 33.1146 176.2254 119 L 3.5527 8.7070 121.7649 55.9708 39.6743 175.2982 120 Y 4.2373 7.8332 118.6328 56.1748 39.5506 172.7384 121 P 3.6341 0.0000 0.0000 62.7697 31.7501 176.4279 122 D 4.0807 8.3664 120.5495 57.4342 41.5408 178.0498 *124 F 4.8847 7.9992 115.1878 57.6530 40.6279 176.5142 125 L 3.9610 6.9720 117.9257 56.9885 41.4414 176.5634 126 C 4.7529 7.7063 116.3342 55.1850 40.7175 172.1697 127 K 4.3854 8.5115 125.6709 54.4471 35.4658 180.5304 128 G 3.8158 8.2695 107.7020 45.4921 0.0000 176.0819 129 E 5.9800 8.1533 134.4074 56.6824 30.3410 176.1451 130 L 4.1575 7.6549 122.1265 54.5695 43.0518 175.9882 131 K 4.5203 8.5010 125.4794 55.4200 34.8317 175.4287 *133 C 4.9444 8.4572 112.9866 55.9653 42.9222 173.5993 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 S 8.14 5.09 0.00 4.17 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 0.00 2 L 8.55 4.11 0.00 2.16 1.91 1.13 0.41 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 3 L 8.86 3.99 0.00 1.75 1.66 0.91 1.03 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 4 E 8.06 4.14 0.00 1.91 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 1.75 2.26 0.00 5 F 8.62 4.61 0.00 3.35 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 6 G 8.94 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 7 K 7.85 4.05 0.00 2.06 2.17 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.53 7.81 8 M 8.28 4.07 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 1.94 0.00 9 I 7.70 3.52 1.80 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.08 0.79 0.00 0.00 10 L 7.65 4.51 0.00 1.78 1.83 0.96 0.86 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 11 E 8.07 4.12 0.00 2.17 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 2.39 2.72 0.00 12 E 8.25 4.30 0.00 1.89 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 2.47 2.39 0.00 13 T 8.56 4.48 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 14 G 8.36 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 *16 K 7.41 4.47 0.00 1.96 1.71 0.00 1.50 0.00 0.00 1.08 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.46 7.81 17 L 8.05 4.73 0.00 1.78 1.65 0.93 0.76 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 18 A 8.73 3.98 1.29 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 0.00 0.00 19 I 7.95 4.99 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.95 1.02 0.00 0.00 20 P 0.00 4.76 0.00 2.25 2.33 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 21 S 7.67 4.09 0.00 3.93 3.34 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 22 Y 8.45 4.61 0.00 2.66 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 23 S 8.05 4.54 0.00 4.12 4.10 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 0.00 0.00 0.00 24 S 7.82 4.74 0.00 3.91 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 25 Y 8.21 4.81 0.00 2.89 2.59 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 26 G 8.51 3.55 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 0.00 0.00 0.00 27 C 9.12 4.44 0.00 2.93 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 28 Y 8.78 4.61 0.00 3.15 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 29 C 8.50 4.79 0.00 3.35 3.34 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 30 G 6.63 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 31 W 8.68 4.79 0.00 3.53 3.12 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 0.00 0.00 0.00 32 G 8.08 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.37 4.33 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 0.00 34 K 7.48 4.52 0.00 1.61 1.68 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.34 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.75 7.81 35 G 8.95 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 0.00 0.00 0.00 36 T 7.91 4.49 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 1.13 0.00 0.00 37 P 0.00 4.60 0.00 1.97 2.00 0.00 3.65 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 38 K 8.70 3.89 0.00 0.79 0.74 0.00 1.50 0.00 0.00 1.52 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 0.23 7.81 39 D 7.20 4.45 0.00 2.85 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 40 A 8.81 3.98 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 41 T 7.97 4.10 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 0.83 0.00 0.00 42 D 8.96 4.53 0.00 2.89 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 43 R 8.34 4.08 0.00 2.11 1.99 0.00 3.15 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 44 C 8.28 4.37 0.00 3.60 3.17 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 45 C 8.33 4.35 0.00 3.35 3.45 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 0.00 46 F 8.23 3.67 0.00 2.53 2.99 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 0.00 0.00 0.00 47 V 7.77 3.33 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 0.91 0.00 0.00 1.05 0.00 0.00 48 H 7.94 3.80 0.00 3.15 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.69 4.10 0.00 2.63 2.58 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 0.00 0.00 0.00 50 C 7.75 4.07 0.00 2.78 2.90 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 51 C 7.86 4.11 0.00 2.94 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 52 Y 7.86 4.34 0.00 3.14 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 53 G 8.07 3.69 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 0.00 0.00 0.00 54 N 7.65 4.71 0.00 2.79 2.83 0.00 0.00 6.80 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 55 L 7.71 4.84 0.00 1.57 1.51 0.85 0.92 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 56 P 0.00 4.23 0.00 2.20 2.30 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 *59 D 7.78 4.97 0.00 2.73 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 *61 C 7.79 5.11 0.00 3.03 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 *67 N 7.94 4.60 0.00 2.72 2.74 0.00 0.00 7.66 7.71 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 68 P 0.00 3.83 0.00 1.44 0.49 0.00 3.42 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 1.41 1.48 0.00 69 K 7.89 4.48 0.00 2.04 2.11 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.51 7.81 70 S 7.70 4.52 0.00 3.85 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 71 D 8.50 4.56 0.00 2.64 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 R 8.34 4.19 0.00 1.79 1.91 0.00 3.15 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 73 Y 7.55 4.97 0.00 3.03 2.97 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 74 K 8.60 4.91 0.00 1.84 1.95 0.00 1.60 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 75 Y 8.29 5.34 0.00 3.19 3.15 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 0.00 76 K 8.92 4.41 0.00 1.84 1.82 0.00 1.22 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.62 7.81 77 R 8.44 5.17 0.00 1.74 1.95 0.00 3.56 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 78 V 8.81 4.20 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 0.98 0.00 0.00 0.95 0.00 0.00 79 N 10.03 4.36 0.00 2.87 2.86 0.00 0.00 7.53 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 80 G 8.79 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.55 4.71 1.27 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 0.00 0.00 0.00 82 I 8.13 4.55 1.84 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 1.28 0.61 0.79 0.00 0.00 83 V 9.16 4.35 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 1.02 0.00 0.00 0.97 0.00 0.00 84 C 8.89 4.87 0.00 2.98 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 85 E 8.56 4.28 0.00 1.87 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 2.40 2.49 0.00 86 K 8.68 3.83 0.00 1.84 1.71 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.51 7.81 *88 G 8.29 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 0.00 0.00 0.00 89 T 8.50 4.11 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 90 S 8.59 4.12 0.00 3.86 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 91 C 8.05 4.19 0.00 2.94 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 92 E 8.13 3.92 0.00 2.18 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 2.44 2.42 0.00 93 N 8.12 4.22 0.00 2.83 2.81 0.00 0.00 7.10 7.55 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 94 R 7.86 3.90 0.00 1.88 1.90 0.00 3.23 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 95 I 8.24 3.62 1.86 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 1.17 0.67 0.85 0.00 0.00 96 C 7.72 3.30 0.00 1.75 2.84 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 97 E 8.08 3.83 0.00 2.07 1.89 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 2.45 2.42 0.00 98 C 7.99 4.21 0.00 3.23 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 99 D 8.05 3.79 0.00 2.80 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 0.00 100 K 8.26 3.70 0.00 1.66 1.78 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.92 3.88 1.29 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 0.00 0.00 102 A 7.59 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.94 3.52 1.22 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 0.00 0.00 0.00 104 I 7.59 3.63 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.86 0.00 0.00 105 C 7.65 4.20 0.00 3.04 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 0.00 106 F 8.16 4.62 0.00 2.96 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 0.00 107 R 7.99 3.90 0.00 1.89 2.16 0.00 3.32 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 108 Q 8.24 4.25 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 109 N 7.88 5.05 0.00 2.94 2.86 0.00 0.00 6.82 6.82 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 0.00 110 L 7.94 4.06 0.00 1.72 1.75 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.22 4.61 0.00 2.84 2.98 0.00 0.00 5.80 7.71 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 0.00 112 T 8.16 4.62 4.31 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 0.00 0.00 0.00 1.26 0.00 0.00 113 Y 8.00 4.07 0.00 2.92 2.95 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 0.00 114 S 8.88 4.98 0.00 3.87 3.66 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 0.00 0.00 0.00 115 K 8.67 4.19 0.00 1.82 1.87 0.00 1.92 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.42 7.81 116 K 7.42 3.77 0.00 1.38 1.24 0.00 1.52 0.00 0.00 1.43 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 1.13 7.81 117 Y 7.31 4.28 0.00 1.80 1.68 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 0.00 118 M 7.34 4.52 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 119 L 8.71 3.55 0.00 1.71 1.70 0.93 0.98 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 0.00 120 Y 7.83 4.24 0.00 2.97 2.96 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 0.00 121 P 0.00 3.63 0.00 0.49 1.25 0.00 3.22 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.44 0.00 122 D 8.37 4.08 0.00 2.70 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 *124 F 8.00 4.88 0.00 3.04 2.92 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 0.00 125 L 6.97 3.96 0.00 1.11 1.61 0.43 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.71 4.75 0.00 2.92 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 0.00 127 K 8.51 4.39 0.00 1.65 1.53 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.51 7.81 128 G 8.27 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 0.00 0.00 0.00 129 E 8.15 5.98 0.00 2.09 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 2.13 2.02 0.00 130 L 7.65 4.16 0.00 1.53 1.49 0.90 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.50 4.52 0.00 1.99 1.97 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.38 7.81 *133 C 8.46 4.94 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.