NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7232 8.2833 119.2075 53.2278 41.0977 176.5113 5 P 4.1866 0.0000 0.0000 65.0235 31.3425 177.1823 6 L 4.0118 8.1360 117.6714 57.7244 42.0667 178.7859 7 L 4.0372 7.8349 119.8248 58.0796 42.0115 178.4080 8 E 4.0531 7.7996 117.7415 58.8288 29.5805 178.8050 9 R 3.8444 8.2581 118.1586 59.0249 30.1895 178.6727 10 A 4.0782 8.5524 120.9675 55.4818 18.3926 179.9145 11 R 3.9315 7.9389 116.1611 59.5223 29.8687 179.5899 12 R 4.0137 7.7762 118.4642 58.1861 30.3259 178.3672 13 F 4.4302 8.6599 121.0654 61.4751 39.4260 176.7787 14 L 4.0777 8.2364 119.9514 58.3513 41.4314 179.0203 15 S 4.4326 8.2727 112.9336 60.4476 62.7551 175.4435 16 A 4.4284 7.9691 123.4061 52.3660 17.1410 176.8576 17 L 4.4807 7.8229 121.1611 53.6871 42.4103 178.2086 18 R 3.8501 8.6308 126.1810 61.8497 29.3745 174.6887 19 H 4.4080 8.3454 118.6671 59.5653 29.6240 176.8571 20 C 4.1663 7.7040 116.0335 62.1703 27.8706 176.1458 21 Q 3.9459 8.0434 120.2924 58.9851 28.1334 178.4151 22 V 3.5960 7.8425 117.2921 66.2841 31.5167 177.4161 23 L 4.2160 7.5731 116.4780 54.6637 41.7886 177.0537 24 G 3.9000 7.9429 106.7186 46.1211 0.0000 174.1754 25 L 4.3095 7.5177 119.3130 54.7478 42.4542 177.0638 26 T 4.7419 8.2735 111.8865 59.5632 72.4347 173.1725 27 V 4.1139 8.3996 123.7613 63.4031 31.4861 175.3409 28 E 4.5365 9.1437 127.7872 58.4498 30.7634 176.3440 29 A 4.6073 7.8190 117.6622 51.5308 22.8112 176.2761 30 A 4.8447 8.4925 122.8463 51.8738 19.8931 175.7266 31 D 4.8767 8.6565 125.7537 54.3760 43.2882 177.4522 32 E 4.3241 8.6623 114.7112 57.4372 29.9382 173.1048 33 K 4.3646 8.9702 116.8005 57.8302 33.3338 177.0596 34 G 3.5936 7.0091 104.7155 43.9187 0.0000 170.8551 35 L 5.0867 7.6809 122.0359 53.4261 45.4418 176.5418 36 T 5.3595 8.8108 121.8938 61.8613 71.5591 173.2007 37 L 5.2935 9.0591 125.3507 52.8538 46.1487 175.2358 38 R 4.5707 8.9774 121.0621 54.4248 33.2093 173.8156 39 L 4.6262 8.9187 129.6177 52.4291 43.9505 173.8148 40 P 4.7383 0.0000 0.0000 62.4139 31.9742 177.0294 41 Y 4.2082 8.8181 122.1336 60.0606 37.4791 178.7702 42 S 3.9653 7.0728 114.4641 60.4552 63.4295 175.3152 43 Q 4.3154 7.6031 119.1215 56.1548 29.1814 175.5927 44 A 4.7792 7.7556 124.1793 51.5526 19.8167 176.0020 45 I 4.4145 7.9445 120.4899 62.4956 38.0238 175.6194 46 I 4.2972 8.5482 125.0107 60.5340 39.8739 175.2241 47 G 3.9165 8.6508 114.8391 44.4173 0.0000 172.6790 48 N 4.3982 8.6956 121.4293 52.8213 39.3299 174.5309 49 P 4.4184 0.0000 0.0000 65.5780 31.7843 177.1449 50 E 4.0738 8.6933 119.2698 59.3664 29.4407 177.3898 51 S 4.3785 7.3408 113.0841 58.6232 63.5847 174.3105 52 G 3.4353 8.2529 108.9340 45.2596 0.0000 173.4501 53 V 3.8980 7.4605 121.1027 61.7819 31.6441 175.0697 54 V 4.4462 8.1706 127.7351 61.7869 32.4799 175.0221 55 H 4.2626 9.4174 127.8973 56.0569 30.3901 176.2907 56 G 3.5885 8.7106 113.5712 47.8819 0.0000 175.8137 57 G 3.6054 7.2818 106.8750 47.1827 0.0000 175.6971 58 A 4.0258 8.1331 123.4666 55.2359 18.2548 179.6070 59 I 3.7293 7.7730 116.6514 64.8667 37.2568 178.2953 60 T 4.1058 7.9573 115.4902 67.0361 68.6417 176.3121 61 T 4.0927 7.9115 117.5994 66.5730 68.3937 176.3367 62 L 3.9454 8.0352 118.1980 56.5480 41.7314 177.6506 *64 D 4.6153 7.9496 118.2821 54.6424 43.1179 177.6898 65 T 3.8057 8.0449 115.6626 66.6809 68.3438 176.8887 66 T 3.6453 8.1234 118.0090 66.7747 68.2916 176.1040 67 C 3.9708 8.0368 116.6385 62.9725 28.2376 175.9988 68 G 2.9892 8.0142 107.1710 47.7308 0.0000 175.5506 69 I 2.9312 7.6067 122.3704 62.8281 37.1394 178.2663 70 S 4.0070 7.7526 115.1893 60.6710 62.6757 176.2792 71 T 3.7889 7.0826 113.8394 64.6661 68.0208 176.0735 72 V 3.8878 7.7351 113.8512 63.1325 31.7252 177.0094 73 C 4.4576 7.8370 115.5220 60.6492 28.2907 174.3439 74 V 4.2834 7.3865 110.9640 61.4790 34.1633 175.6989 75 L 4.2281 7.9298 120.4640 53.3966 41.4901 175.1187 76 P 4.3249 0.0000 0.0000 65.4014 31.5413 176.5293 77 D 4.6379 7.7862 116.6101 52.8858 42.2671 174.6088 78 F 4.6123 8.5648 125.0018 56.5279 40.0750 174.6748 79 E 4.1390 7.5955 124.4381 54.5242 32.5141 174.4371 80 I 3.7753 7.6350 120.5808 59.8399 37.9465 175.4244 81 C 4.4515 8.4761 124.2772 57.4772 27.9526 172.1325 82 P 4.4945 0.0000 0.0000 62.8509 31.6386 175.8202 83 T 4.1108 8.3089 117.2136 63.3316 69.3792 174.5672 84 L 4.4129 8.2433 126.3208 56.4396 43.1593 176.7643 85 D 4.7241 7.2612 116.0305 53.0825 45.6617 174.4572 86 L 4.9878 8.1894 122.7613 53.9974 45.2503 174.5131 87 R 4.7806 9.4465 123.2253 54.3841 32.4841 174.4117 88 I 4.9693 8.4863 122.5817 59.5770 40.2946 174.4228 89 D 4.9284 9.3000 126.7321 52.7986 43.9312 175.7781 90 Y 4.4060 8.7017 121.8563 57.2207 39.7329 174.1733 *92 H 4.8064 8.4530 115.2799 54.8284 29.6632 171.7120 93 P 4.4686 0.0000 0.0000 62.3120 31.9742 176.1384 94 A 4.2902 8.2382 122.2371 51.9961 19.0461 177.3720 95 E 4.2560 9.1061 121.1368 55.2497 29.4338 175.5289 96 P 4.4428 0.0000 0.0000 64.0162 32.3781 176.4509 97 H 2.7733 8.2815 116.6116 55.3994 26.5594 174.5925 98 K 4.5938 6.8682 118.7763 54.1539 34.4987 176.0342 99 D 4.6382 9.1046 124.4223 55.1623 41.7859 176.0543 100 V 4.3661 8.5263 121.6300 61.4318 33.8748 174.0354 101 Y 4.8647 8.5013 125.6029 56.3958 40.2980 174.7753 102 G 4.4295 8.9504 109.8149 44.3501 0.0000 171.6432 103 F 5.4305 8.9156 125.4635 56.0841 42.4298 173.7068 104 A 4.9547 7.7763 126.1882 50.3351 23.3541 174.8477 105 E 4.5316 8.5294 119.1671 55.3274 32.7235 174.3419 106 C 4.7004 8.8685 125.8867 60.7858 28.2703 173.4378 107 Y 4.9030 8.8310 120.5922 56.8304 39.4343 175.6527 108 R 4.6773 7.2846 119.7609 55.2107 33.8746 173.4857 109 V 4.9618 8.4041 124.9322 61.5054 33.9978 174.5167 110 T 4.6893 8.8309 117.5434 58.6460 71.5242 173.0434 111 P 4.0674 0.0000 0.0000 65.4709 31.1486 176.9670 112 N 5.0656 7.7185 110.6403 52.5024 40.6189 175.0681 113 V 4.6382 7.9990 118.2542 60.9809 35.7735 174.0671 114 I 4.9296 8.3727 126.3652 59.5985 40.6469 174.2045 115 F 5.0834 9.2269 126.3001 56.0726 41.1056 174.9326 116 T 5.2874 9.0659 117.0359 60.5971 71.6095 172.3594 117 R 5.2350 8.8851 125.1280 55.4143 34.2939 174.4096 118 G 4.9929 9.3411 110.9575 47.3599 0.0000 171.3769 119 F 5.5484 7.9707 112.5210 55.9191 41.4257 172.7995 120 A 5.5252 8.9197 121.8385 50.9496 21.4917 175.6367 121 Y 4.8897 8.6812 118.2600 56.6600 41.8525 173.6698 122 Q 4.5373 9.1139 114.6595 57.3335 31.3381 177.0005 123 D 4.6094 7.8933 121.4582 55.9773 42.3379 176.5809 124 D 5.0209 7.6092 116.3886 50.5743 42.7721 177.5628 125 P 3.9099 0.0000 0.0000 63.4455 31.6260 177.8959 126 G 3.5728 7.7923 107.5752 47.9113 0.0000 174.5318 127 Q 4.5595 7.4737 118.9029 52.5510 28.4184 173.2128 128 P 4.6135 0.0000 0.0000 62.5447 32.3865 177.6334 129 I 3.6878 8.5379 121.8953 64.5595 37.6963 176.2841 130 A 4.4789 7.5761 119.9310 51.2911 22.3479 175.0274 131 H 5.6395 9.0293 117.9334 54.2216 31.9501 174.3380 132 V 5.0889 8.7722 120.0550 60.3784 35.1638 174.2792 133 V 4.9887 9.1046 122.9877 61.3999 35.1213 174.2656 134 G 4.5001 9.3851 112.9113 44.6997 0.0000 171.1355 135 A 4.9120 8.3738 123.3189 49.8347 22.1161 175.3343 136 F 4.8450 8.4945 120.1245 55.0307 43.5549 175.6340 *138 R 4.0523 8.6516 118.9885 57.5115 29.5794 175.4239 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 4 N 8.28 4.72 0.00 2.83 2.88 0.00 0.00 7.09 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 5 P 0.00 4.19 0.00 2.29 2.09 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 6 L 8.14 4.01 0.00 1.75 1.74 0.94 0.58 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 7 L 7.83 4.04 0.00 1.76 1.89 0.94 0.89 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 8 E 7.80 4.05 0.00 2.16 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 2.27 2.34 0.00 9 R 8.26 3.84 0.00 2.06 2.14 0.00 3.45 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 10 A 8.55 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 3.93 0.00 2.20 2.00 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 12 R 7.78 4.01 0.00 1.87 1.65 0.00 2.99 0.00 0.00 2.81 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.00 13 F 8.66 4.43 0.00 3.49 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 14 L 8.24 4.08 0.00 1.98 1.87 0.91 0.73 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 15 S 8.27 4.43 0.00 4.11 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 16 A 7.97 4.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.82 4.48 0.00 2.04 1.68 1.18 0.93 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 18 R 8.63 3.85 0.00 1.81 1.93 0.00 3.27 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 19 H 8.35 4.41 0.00 3.21 3.39 0.00 5.83 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 20 C 7.70 4.17 0.00 3.13 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 21 Q 8.04 3.95 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 22 V 7.84 3.60 2.28 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 0.88 0.00 0.00 1.02 0.00 0.00 23 L 7.57 4.22 0.00 1.67 1.65 0.74 0.91 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 24 G 7.94 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 25 L 7.52 4.31 0.00 1.56 1.58 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.27 4.74 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 1.26 0.00 0.00 27 V 8.40 4.11 2.09 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 0.84 0.00 0.00 0.92 0.00 0.00 28 E 9.14 4.54 0.00 2.01 2.09 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 2.43 2.75 0.00 29 A 7.82 4.61 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 30 A 8.49 4.84 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 31 D 8.66 4.88 0.00 2.80 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 32 E 8.66 4.32 0.00 1.99 1.84 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 2.22 1.90 0.00 33 K 8.97 4.36 0.00 2.00 2.04 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 34 G 7.01 3.59 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 0.00 0.00 0.00 35 L 7.68 5.09 0.00 1.54 1.20 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.81 5.36 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 37 L 9.06 5.29 0.00 1.55 1.48 0.85 0.61 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 38 R 8.98 4.57 0.00 1.80 1.76 0.00 3.08 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 1.26 0.78 0.00 39 L 8.92 4.63 0.00 1.68 1.58 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.74 0.00 2.10 2.07 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 41 Y 8.82 4.21 0.00 3.27 3.32 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 42 S 7.07 3.97 0.00 3.79 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 4.32 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.47 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 44 A 7.76 4.78 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 45 I 7.94 4.41 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 1.01 0.00 0.00 46 I 8.55 4.30 1.88 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 1.22 0.81 0.94 0.00 0.00 47 G 8.65 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 48 N 8.70 4.40 0.00 2.82 2.73 0.00 0.00 6.68 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 49 P 0.00 4.42 0.00 2.25 2.20 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 50 E 8.69 4.07 0.00 1.98 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 0.00 2.34 2.39 0.00 51 S 7.34 4.38 0.00 3.97 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 52 G 8.25 3.44 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 0.00 53 V 7.46 3.90 2.08 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 0.95 0.00 0.00 0.91 0.00 0.00 54 V 8.17 4.45 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 0.92 0.00 0.00 1.04 0.00 0.00 55 H 9.42 4.26 0.00 3.18 3.17 0.00 5.67 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 56 G 8.71 3.59 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 0.00 0.00 0.00 57 G 7.28 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.13 4.03 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 59 I 7.77 3.73 2.22 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.63 1.02 0.00 0.00 60 T 7.96 4.11 4.49 0.00 0.00 0.00 0.00 0.00 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 61 T 7.91 4.09 4.39 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 1.14 0.00 0.00 62 L 8.04 3.95 0.00 1.68 1.84 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *64 D 7.95 4.62 0.00 2.88 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 T 8.04 3.81 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 1.09 0.00 0.00 66 T 8.12 3.65 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 1.02 0.00 0.00 67 C 8.04 3.97 0.00 3.20 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 68 G 8.01 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 0.00 0.00 0.00 69 I 7.61 2.93 1.47 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.01 0.67 0.00 0.00 70 S 7.75 4.01 0.00 3.84 4.03 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 71 T 7.08 3.79 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 0.93 0.00 0.00 72 V 7.74 3.89 2.19 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 1.02 0.00 0.00 1.01 0.00 0.00 73 C 7.84 4.46 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 74 V 7.39 4.28 2.08 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 0.74 0.00 0.00 0.99 0.00 0.00 75 L 7.93 4.23 0.00 1.66 1.73 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.32 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 77 D 7.79 4.64 0.00 2.67 2.61 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 0.00 0.00 0.00 0.00 78 F 8.56 4.61 0.00 3.06 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 79 E 7.60 4.14 0.00 1.84 1.67 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 2.00 2.13 0.00 80 I 7.64 3.78 1.63 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 -0.25 0.82 0.00 0.00 81 C 8.48 4.45 0.00 2.97 2.98 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 0.00 0.00 0.00 0.00 82 P 0.00 4.49 0.00 2.18 2.00 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 83 T 8.31 4.11 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 0.96 0.00 0.00 84 L 8.24 4.41 0.00 1.34 1.56 0.74 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.26 4.72 0.00 2.50 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.19 4.99 0.00 1.48 1.46 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.45 4.78 0.00 1.86 2.00 0.00 3.01 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 88 I 8.49 4.97 1.94 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 1.35 0.71 0.75 0.00 0.00 89 D 9.30 4.93 0.00 2.52 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 90 Y 8.70 4.41 0.00 2.91 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 *92 H 8.45 4.81 0.00 3.18 3.39 0.00 5.53 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.47 0.00 2.23 2.11 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 94 A 8.24 4.29 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 95 E 9.11 4.26 0.00 2.07 1.88 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 2.35 2.28 0.00 96 P 0.00 4.44 0.00 2.08 2.07 0.00 3.72 0.00 0.00 3.75 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 97 H 8.28 2.77 0.00 3.15 3.15 0.00 5.61 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.87 4.59 0.00 1.74 1.69 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.47 7.81 99 D 9.10 4.64 0.00 2.45 2.23 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 0.00 100 V 8.53 4.37 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 0.94 0.00 0.00 0.93 0.00 0.00 101 Y 8.50 4.86 0.00 1.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.92 5.43 0.00 3.02 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 0.00 0.00 0.00 104 A 7.78 4.95 1.01 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 0.00 105 E 8.53 4.53 0.00 2.00 1.90 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 2.33 2.47 0.00 106 C 8.87 4.70 0.00 2.90 2.87 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 0.00 107 Y 8.83 4.90 0.00 2.88 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 0.00 108 R 7.28 4.68 0.00 1.75 1.45 0.00 2.52 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 109 V 8.40 4.96 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 0.90 0.00 0.00 0.94 0.00 0.00 110 T 8.83 4.69 4.29 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 1.33 0.00 0.00 111 P 0.00 4.07 0.00 2.07 2.20 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 112 N 7.72 5.07 0.00 2.45 2.78 0.00 0.00 6.74 7.56 0.00 0.00 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 V 8.00 4.64 2.08 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 0.37 0.00 0.00 0.88 0.00 0.00 114 I 8.37 4.93 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 0.88 0.00 0.00 115 F 9.23 5.08 0.00 1.99 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 0.00 0.00 0.00 116 T 9.07 5.29 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 1.54 0.00 0.00 117 R 8.89 5.24 0.00 1.99 1.80 0.00 3.13 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 118 G 9.34 4.99 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 0.00 119 F 7.97 5.55 0.00 3.20 3.16 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 0.00 120 A 8.92 5.53 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 0.00 121 Y 8.68 4.89 0.00 3.20 3.22 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 0.00 122 Q 9.11 4.54 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.08 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 123 D 7.89 4.61 0.00 2.73 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 0.00 124 D 7.61 5.02 0.00 2.56 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 3.91 0.00 1.65 1.61 0.00 3.44 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.06 0.00 126 G 7.79 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.47 4.56 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 128 P 0.00 4.61 0.00 2.07 1.89 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 129 I 8.54 3.69 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 1.13 0.00 0.00 130 A 7.58 4.48 0.47 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 0.00 131 H 9.03 5.64 0.00 3.06 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.77 5.09 2.09 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 0.79 0.00 0.00 1.05 0.00 0.00 133 V 9.10 4.99 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 1.12 0.00 0.00 1.00 0.00 0.00 134 G 9.39 4.50 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 0.00 135 A 8.37 4.91 0.65 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 0.00 136 F 8.49 4.85 0.00 2.86 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 *138 R 8.65 4.05 0.00 2.07 1.93 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.