NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2184 8.3444 121.7176 56.0101 29.8843 173.9002 3 N 4.4791 8.4472 123.6061 50.4364 42.2016 173.4668 4 A 3.7778 8.8548 125.5785 54.6532 19.5323 178.7282 5 D 4.4814 7.7725 114.5779 55.9895 41.7418 178.6637 6 D 4.1712 8.3539 120.2118 57.2347 40.7789 178.3327 7 F 4.3582 8.2025 117.6784 60.8213 38.9859 177.3910 8 I 3.1527 7.3620 116.9521 63.6961 37.4034 177.7513 9 K 3.8077 7.5215 120.4297 59.2368 32.0152 178.8659 10 F 4.2251 8.7584 117.6249 60.0204 38.9105 176.8735 11 L 4.1287 8.6605 117.0507 53.6367 42.5761 176.0802 12 E 3.7570 7.5079 117.6637 57.2618 27.3394 174.8418 13 L 4.4172 8.0581 118.0148 54.5935 43.1845 177.6610 14 E 4.8489 9.1179 124.1698 54.2977 32.3953 174.9173 15 Q 4.5793 8.7743 126.8586 55.6494 30.1577 174.6799 16 H 5.0520 8.1463 121.1792 53.4972 31.9880 175.4861 17 V 3.5250 8.2802 122.1961 64.7726 31.5159 177.2304 18 E 4.0939 8.0499 115.1777 56.3296 29.3133 175.3159 19 G 4.5812 7.1440 109.1167 48.1258 0.0000 173.4756 20 G 3.1723 9.2809 107.5501 43.8763 0.0000 172.5820 21 F 4.7898 7.5235 114.6010 55.7622 41.1340 174.6867 22 Y 4.9395 8.8373 122.2898 56.2250 40.0794 174.8226 23 R 4.4363 8.4642 115.1372 55.4519 32.5322 172.4937 24 S 4.4736 8.6637 120.4865 59.1477 63.4920 174.6736 25 S 4.6331 8.8229 120.6641 60.6262 63.5778 173.7701 26 Y 4.9012 7.8786 116.4473 56.4941 42.7581 172.9516 27 R 4.3088 8.2367 119.0630 54.7735 33.7930 174.1655 28 S 3.3974 7.0488 119.2470 57.5905 63.0105 174.1782 29 E 4.3496 8.5677 126.0392 56.7615 29.4975 176.3337 30 T 4.6057 7.6145 115.1127 61.6038 71.7146 173.0054 31 A 5.0841 8.3719 125.9294 50.4931 22.1057 175.6374 32 F 4.9431 8.5977 119.8740 59.2081 41.2408 175.1429 33 D 4.6476 8.7036 118.4772 52.2590 44.8203 174.4435 34 P 4.3382 0.0000 0.0000 64.6509 31.2408 177.5014 35 S 4.4598 7.3415 112.3142 59.3792 64.2923 174.1625 36 R 4.4746 7.5242 120.4347 54.1726 31.3087 177.0652 37 Q 4.2922 8.2458 120.7185 55.6272 31.0017 175.7698 38 L 4.2080 8.3467 121.1110 58.2823 43.0060 177.7141 39 W 6.1889 7.5028 113.5764 56.3682 31.5799 173.1449 40 S 5.1282 8.7095 115.1847 57.2224 65.5318 173.2557 41 S 5.2980 9.2574 119.0609 56.6947 65.2115 172.6341 42 I 4.9505 8.3320 117.3259 60.2573 41.6130 172.6045 43 Y 4.8071 7.6862 118.6781 56.6068 41.2112 175.4713 44 F 4.6968 8.3851 115.1275 58.2123 43.4581 172.9734 45 L 5.0549 8.0283 128.8907 53.1502 45.2720 174.9871 46 L 4.6896 8.2034 119.7549 53.6598 45.9978 175.5743 47 R 4.8381 8.8874 123.9185 54.8323 32.5584 176.8125 48 T 3.9214 8.9777 119.5261 67.0052 68.3463 175.6485 49 G 3.9217 8.1255 105.6833 45.9736 0.0000 172.9998 50 E 4.7248 8.1417 119.9080 55.3546 31.6414 175.7099 51 V 4.6419 7.7215 112.1513 60.3965 36.4502 172.7689 52 S 5.0428 9.3288 120.0488 58.5340 63.4040 173.1571 53 H 4.8351 9.3976 125.0587 55.1034 29.8200 174.7634 54 F 4.8256 8.9365 121.0726 58.0934 38.9410 173.8827 55 H 5.4278 7.6791 121.1150 54.3823 32.0630 172.4875 56 R 4.7674 7.8281 115.2689 55.9494 33.5579 174.7876 57 L 5.4756 8.6864 123.9725 52.0586 45.9949 176.4869 58 T 4.6605 8.5144 111.3074 61.5317 68.0768 172.8192 59 A 4.8253 7.9089 119.0712 49.7646 22.3488 176.7849 60 D 4.6143 8.9554 120.9216 55.2280 41.9766 175.5122 61 E 4.9033 8.3258 121.5503 54.4936 34.0085 173.6594 *63 W 4.9786 8.3792 117.3165 57.0534 30.9131 174.3400 64 Y 5.0142 9.0440 120.8690 56.1223 41.5251 174.4725 65 F 4.7719 8.6964 124.8230 57.4818 39.9851 175.0347 66 H 4.7070 8.5306 123.5681 57.7810 29.6362 175.0833 67 A 4.2977 7.2721 117.4313 52.4425 23.4854 175.6913 68 G 3.1198 8.5988 106.1961 44.3668 0.0000 173.2478 69 Q 4.1842 7.9031 117.9134 55.3149 29.0995 176.3970 70 S 4.6906 8.2240 114.8086 59.2644 63.9401 172.9053 71 L 4.7276 8.3041 116.0378 54.1662 46.3668 174.9827 72 T 4.4859 8.7088 118.2406 61.9583 71.1135 173.7741 73 I 4.4696 7.5814 126.3181 59.3555 37.6169 174.7841 74 Y 4.1042 8.0299 122.4657 57.4582 39.9752 174.6443 *76 I 4.0606 8.1465 119.6629 60.9979 38.4702 176.2472 77 S 4.2246 9.4449 123.9019 57.6017 63.1220 173.9996 78 P 4.4532 0.0000 0.0000 64.8110 31.0391 176.6598 79 E 4.5077 8.2428 117.3753 56.2111 29.8207 176.6223 80 G 3.6633 8.0899 108.5056 44.8437 0.0000 173.6716 81 E 4.0224 8.2950 122.2895 55.2551 30.1313 175.1228 82 L 4.3810 8.3388 128.9432 54.0185 41.3262 175.5716 83 T 4.4636 7.9976 116.1383 60.3556 70.8185 173.2589 84 T 4.6655 7.9453 110.6868 59.7287 72.6414 172.6410 85 A 4.1816 7.5366 121.0342 50.6819 22.6809 175.1146 86 Q 4.6215 8.3751 121.3967 54.3739 30.4947 174.2617 87 L 5.5559 7.9150 126.5143 52.2081 44.4636 175.9707 88 G 3.2077 7.5949 111.8314 46.3172 0.0000 172.1259 89 L 4.0272 7.8258 118.8573 57.3068 41.7148 176.1209 90 D 4.3986 7.8273 122.5285 54.2196 40.3960 176.5931 91 L 4.2531 8.5279 125.5912 56.5815 42.2622 179.4126 92 A 3.8576 8.1990 120.4843 55.2164 18.1382 178.0744 93 A 4.1345 7.7194 115.7163 52.6456 18.8625 178.1768 94 G 4.0057 8.1273 104.2470 44.4910 0.0000 174.1917 95 E 4.1826 7.7395 119.2440 56.5602 30.8201 176.0085 96 R 4.5234 8.5765 123.5612 53.8198 33.2241 174.1387 97 P 4.5744 0.0000 0.0000 64.6783 32.2713 175.7430 98 Q 5.3749 7.7247 117.3757 53.3336 32.5704 173.8954 99 F 4.7266 8.5834 123.5587 56.5320 43.3679 173.2505 100 L 4.4227 5.8684 123.4598 52.9976 44.1185 176.2477 101 V 4.1155 7.9094 127.5700 59.2862 32.5869 173.7361 102 P 4.5354 0.0000 0.0000 62.7259 32.0576 175.9771 103 K 4.1758 8.6960 122.1876 58.3605 33.0525 177.4347 104 G 4.1090 8.6572 109.8908 45.1760 0.0000 173.0395 105 C 4.7984 7.3671 112.9077 56.6712 31.5144 174.6791 106 I 4.6571 7.8845 122.6166 59.6165 35.4427 175.8919 107 F 4.7786 8.1292 120.2118 57.0659 39.6311 174.8903 108 G 3.4175 7.6361 107.1375 46.8954 0.0000 171.8553 109 S 4.9550 7.3698 109.4936 57.7297 66.7317 173.9294 110 A 4.9062 8.1869 131.6511 51.7373 19.0776 178.0897 *112 N 4.7690 8.7708 112.6619 54.1363 40.5636 173.8328 113 Q 4.5659 7.6053 115.9745 54.8038 31.7600 172.9994 114 D 4.4291 8.7122 122.6786 55.6223 41.5568 175.6075 115 G 3.8405 7.5216 107.8263 44.2350 0.0000 172.0201 116 F 5.7469 9.0962 115.4453 55.7385 41.6160 174.6338 117 S 5.6315 8.0265 112.2618 58.1879 64.6610 175.9515 118 L 4.6989 7.4192 128.0786 54.5294 43.3501 175.3578 119 V 4.6148 8.8764 123.6899 61.3430 36.0174 173.6618 120 G 4.3232 8.9114 111.1326 44.8704 0.0000 172.0468 121 C 5.3111 7.9370 122.4690 57.6681 30.9825 173.0938 *123 V 4.2282 8.1670 118.7840 65.0823 32.0482 177.2799 124 S 3.3162 8.2988 115.4778 56.1602 65.4115 172.3696 125 P 4.4471 0.0000 0.0000 63.4467 32.5013 177.5101 126 G 3.9207 8.1723 111.1509 44.3083 0.0000 173.6720 127 F 4.5348 9.4414 129.6106 58.7436 40.0908 174.5425 128 T 4.2361 7.3960 116.3006 59.4921 71.0045 174.7021 129 F 3.2328 8.4550 127.6180 61.0361 39.6539 176.3105 130 D 4.2060 7.8782 117.8969 55.8317 41.5449 176.6347 131 D 4.5592 8.7628 120.0490 57.1068 41.2455 176.4887 132 F 4.5481 7.5778 120.1391 58.6064 40.7183 175.3051 133 E 4.2244 7.0549 122.5106 55.4652 32.2303 174.7309 134 L 4.6905 8.2661 129.7334 54.4701 43.6906 175.4233 135 F 4.8732 8.3990 118.0335 54.7862 43.0571 175.0103 136 S 4.5053 8.6225 117.4214 57.5327 63.6220 174.6922 137 Q 4.0293 8.7319 129.8284 59.6607 28.7805 178.5893 138 E 4.0187 8.2823 116.8723 58.8279 29.7231 178.5731 139 A 4.3120 7.7204 120.4388 54.4479 19.0857 178.6038 140 L 4.0879 8.3333 114.3770 55.7753 41.6194 178.1359 141 L 4.5451 7.5587 119.0715 55.2308 42.6390 177.5921 142 A 4.1506 7.3474 119.9173 53.0230 18.0690 177.6567 *144 Y 5.0261 7.5282 113.6540 59.2860 38.8009 175.0402 145 P 4.5604 0.0000 0.0000 64.3024 32.2562 178.2654 146 Q 4.1940 8.0117 115.2686 57.6545 28.9055 176.2963 147 H 4.8612 7.6640 116.0975 54.9148 29.5709 175.5834 148 K 3.8292 8.4348 122.6436 59.7062 31.4595 177.3583 149 A 4.0277 7.8656 120.1799 54.9470 18.7865 179.4381 150 V 3.5999 7.5923 116.5614 65.0497 31.5255 178.2632 151 V 3.4955 7.6195 119.5211 65.6386 30.9346 177.7827 152 Q 3.9973 7.5106 116.3106 59.0917 28.7310 178.8658 153 K 4.2715 7.8893 116.9755 57.4489 32.6282 177.4865 154 L 4.7811 7.4298 119.9105 53.6581 42.5611 176.0063 155 S 4.8700 7.8366 111.3727 57.8772 66.7907 174.7693 156 R 4.7088 8.4413 123.3761 53.4154 32.1347 174.5539 157 P 4.6564 0.0000 0.0000 63.8046 31.9444 176.2762 158 E 4.1308 9.6519 118.9494 57.1626 30.1626 174.7786 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 Q 8.34 4.22 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 3 N 8.45 4.48 0.00 2.72 2.72 0.00 0.00 6.65 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 4 A 8.85 3.78 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 5 D 7.77 4.48 0.00 2.62 2.60 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 6 D 8.35 4.17 0.00 2.74 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 7 F 8.20 4.36 0.00 3.00 3.05 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 8 I 7.36 3.15 1.55 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.74 0.00 0.00 9 K 7.52 3.81 0.00 1.71 1.53 0.00 1.46 0.00 0.00 1.26 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.01 1.25 7.81 10 F 8.76 4.23 0.00 2.85 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 11 L 8.66 4.13 0.00 1.47 1.24 0.67 0.54 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 12 E 7.51 3.76 0.00 2.01 1.94 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 2.19 2.31 0.00 13 L 8.06 4.42 0.00 1.53 1.76 0.98 0.61 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 14 E 9.12 4.85 0.00 1.94 1.86 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 2.32 2.28 0.00 15 Q 8.77 4.58 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.51 0.00 0.00 0.00 0.00 0.00 1.98 1.27 0.00 16 H 8.15 5.05 0.00 2.98 2.92 0.00 5.70 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.28 3.52 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 0.69 0.00 0.00 0.91 0.00 0.00 18 E 8.05 4.09 0.00 2.46 2.50 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 2.23 2.30 0.00 19 G 7.14 4.58 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 0.00 0.00 0.00 20 G 9.28 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 0.00 0.00 0.00 21 F 7.52 4.79 0.00 2.91 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 22 Y 8.84 4.94 0.00 3.19 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 23 R 8.46 4.44 0.00 1.73 1.86 0.00 3.51 0.00 0.00 3.42 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.55 0.00 24 S 8.66 4.47 0.00 3.92 3.93 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 0.00 0.00 0.00 25 S 8.82 4.63 0.00 4.14 3.48 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 26 Y 7.88 4.90 0.00 3.16 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 27 R 8.24 4.31 0.00 1.74 1.63 0.00 3.21 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.50 0.00 28 S 7.05 3.40 0.00 2.72 3.08 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 29 E 8.57 4.35 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 2.28 2.43 0.00 30 T 7.61 4.61 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 1.25 0.00 0.00 31 A 8.37 5.08 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 32 F 8.60 4.94 0.00 2.94 3.36 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 33 D 8.70 4.65 0.00 2.77 2.42 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 0.00 34 P 0.00 4.34 0.00 2.02 2.09 0.00 3.62 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 2.00 2.05 0.00 35 S 7.34 4.46 0.00 3.98 3.93 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 0.00 0.00 0.00 36 R 7.52 4.47 0.00 2.26 2.05 0.00 3.22 0.00 0.00 3.52 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 37 Q 8.25 4.29 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.22 0.00 38 L 8.35 4.21 0.00 1.98 1.45 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.50 6.19 0.00 3.44 3.13 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 40 S 8.71 5.13 0.00 4.12 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 41 S 9.26 5.30 0.00 3.87 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 42 I 8.33 4.95 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 1.04 0.00 0.00 43 Y 7.69 4.81 0.00 2.96 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 44 F 8.39 4.70 0.00 3.04 2.66 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 45 L 8.03 5.05 0.00 1.84 1.62 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.20 4.69 0.00 1.82 1.65 1.04 1.04 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 47 R 8.89 4.84 0.00 2.03 1.98 0.00 3.25 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 48 T 8.98 3.92 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 1.35 0.00 0.00 49 G 8.13 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 50 E 8.14 4.72 0.00 2.35 1.95 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 2.46 2.63 0.00 51 V 7.72 4.64 2.22 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 0.84 0.00 0.00 1.00 0.00 0.00 52 S 9.33 5.04 0.00 4.50 4.07 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 53 H 9.40 4.84 0.00 3.10 3.35 0.00 5.93 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 54 F 8.94 4.83 0.00 2.97 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 55 H 7.68 5.43 0.00 2.49 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.83 4.77 0.00 2.20 2.00 0.00 3.19 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 57 L 8.69 5.48 0.00 1.93 1.79 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.51 4.66 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 1.33 0.00 0.00 59 A 7.91 4.83 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 60 D 8.96 4.61 0.00 2.65 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 61 E 8.33 4.90 0.00 2.14 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 2.31 2.31 0.00 *63 W 8.38 4.98 0.00 3.29 3.23 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 64 Y 9.04 5.01 0.00 2.74 2.78 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 65 F 8.70 4.77 0.00 3.15 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 66 H 8.53 4.71 0.00 3.20 3.42 0.00 5.79 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 67 A 7.27 4.30 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 68 G 8.60 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 0.00 0.00 0.00 69 Q 7.90 4.18 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 70 S 8.22 4.69 0.00 3.82 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 71 L 8.30 4.73 0.00 1.77 1.62 1.22 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.71 4.49 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 0.18 0.00 0.00 73 I 7.58 4.47 1.15 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.38 0.00 0.00 74 Y 8.03 4.10 0.00 2.85 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 *76 I 8.15 4.06 1.66 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.23 -0.11 0.00 0.00 77 S 9.44 4.22 0.00 3.82 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 78 P 0.00 4.45 0.00 2.24 2.27 0.00 3.73 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 2.00 2.02 0.00 79 E 8.24 4.51 0.00 1.94 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 2.23 2.36 0.00 80 G 8.09 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 0.00 0.00 0.00 81 E 8.29 4.02 0.00 1.97 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 2.26 2.22 0.00 82 L 8.34 4.38 0.00 1.24 1.41 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.00 4.46 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 1.17 0.00 0.00 84 T 7.95 4.67 3.74 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 1.01 0.00 0.00 85 A 7.54 4.18 -0.15 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 0.00 0.00 86 Q 8.38 4.62 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 87 L 7.91 5.56 0.00 1.61 1.58 1.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.59 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 0.00 0.00 0.00 89 L 7.83 4.03 0.00 1.48 1.63 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.83 4.40 0.00 2.66 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 91 L 8.53 4.25 0.00 1.71 1.66 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.20 3.86 1.26 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 0.00 0.00 0.00 93 A 7.72 4.13 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 94 G 8.13 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 0.00 0.00 0.00 95 E 7.74 4.18 0.00 2.01 1.81 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 2.21 2.17 0.00 96 R 8.58 4.52 0.00 1.87 1.72 0.00 3.13 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 97 P 0.00 4.57 0.00 2.14 2.14 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 98 Q 7.72 5.37 0.00 1.76 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 1.74 2.08 0.00 99 F 8.58 4.73 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 0.00 100 L 5.87 4.42 0.00 1.25 0.93 0.75 0.73 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 0.00 101 V 7.91 4.12 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 0.48 0.00 0.00 -0.53 0.00 0.00 102 P 0.00 4.54 0.00 2.10 2.17 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 103 K 8.70 4.18 0.00 1.93 1.90 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.43 7.81 104 G 8.66 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 0.00 0.00 0.00 105 C 7.37 4.80 0.00 3.20 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 0.00 106 I 7.88 4.66 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.68 0.85 0.00 0.00 107 F 8.13 4.78 0.00 3.15 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 0.00 108 G 7.64 3.42 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 0.00 0.00 0.00 0.00 109 S 7.37 4.96 0.00 3.69 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 0.00 110 A 8.19 4.91 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 *112 N 8.77 4.77 0.00 2.77 2.94 0.00 0.00 6.50 7.69 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 0.00 113 Q 7.61 4.57 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 114 D 8.71 4.43 0.00 2.73 2.66 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 G 7.52 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 0.00 116 F 9.10 5.75 0.00 3.02 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 0.00 117 S 8.03 5.63 0.00 3.90 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 0.00 118 L 7.42 4.70 0.00 1.35 1.36 1.02 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 0.00 119 V 8.88 4.61 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 0.55 0.00 0.00 1.04 0.00 0.00 120 G 8.91 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 0.00 0.00 0.00 121 C 7.94 5.31 0.00 2.64 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 *123 V 8.17 4.23 2.20 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 0.73 0.00 0.00 1.17 0.00 0.00 124 S 8.30 3.32 0.00 3.98 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 0.00 125 P 0.00 4.45 0.00 2.01 1.75 0.00 3.85 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.66 0.00 126 G 8.17 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 0.00 127 F 9.44 4.53 0.00 3.04 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 0.00 128 T 7.40 4.24 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 1.21 0.00 0.00 129 F 8.45 3.23 0.00 2.97 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 0.00 130 D 7.88 4.21 0.00 2.71 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 0.00 131 D 8.76 4.56 0.00 3.05 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 0.00 132 F 7.58 4.55 0.00 3.26 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 0.00 133 E 7.05 4.22 0.00 1.83 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 1.47 1.89 0.00 134 L 8.27 4.69 0.00 1.96 1.60 1.11 0.80 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 0.00 135 F 8.40 4.87 0.00 3.15 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 0.00 136 S 8.62 4.51 0.00 3.93 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 0.00 137 Q 8.73 4.03 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 138 E 8.28 4.02 0.00 1.97 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 2.33 2.45 0.00 139 A 7.72 4.31 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 0.00 140 L 8.33 4.09 0.00 1.65 1.57 0.92 0.30 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 0.00 141 L 7.56 4.55 0.00 1.88 1.65 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.35 4.15 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 *144 Y 7.53 5.03 0.00 2.95 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 0.00 145 P 0.00 4.56 0.00 2.02 2.12 0.00 3.73 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.23 0.00 146 Q 8.01 4.19 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.00 0.00 0.00 0.00 0.00 0.00 1.82 2.09 0.00 147 H 7.66 4.86 0.00 3.14 3.18 0.00 5.66 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.43 3.83 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 149 A 7.87 4.03 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 0.00 150 V 7.59 3.60 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 0.77 0.00 0.00 0.81 0.00 0.00 151 V 7.62 3.50 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 0.94 0.00 0.00 0.68 0.00 0.00 152 Q 7.51 4.00 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 153 K 7.89 4.27 0.00 1.78 1.81 0.00 1.51 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.51 7.81 154 L 7.43 4.78 0.00 1.98 1.59 0.54 0.99 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 0.00 155 S 7.84 4.87 0.00 4.07 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 0.00 156 R 8.44 4.71 0.00 1.88 1.89 0.00 3.27 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 157 P 0.00 4.66 0.00 2.19 2.08 0.00 3.95 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 2.01 2.01 0.00 158 E 9.65 4.13 0.00 2.04 1.94 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 2.27 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.