NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.6014 8.0016 113.8262 61.6120 32.7802 174.2553 3 Q 4.2257 8.5301 127.9893 53.3800 29.2362 172.7211 4 P 4.5980 0.0000 0.0000 63.8791 33.1405 176.5181 5 Q 4.6051 8.3937 119.9877 55.7313 31.1671 173.1384 6 E 4.8908 8.6331 124.7466 56.3377 31.5711 175.3831 7 S 4.7106 9.3310 115.8702 58.4272 67.1873 169.9695 8 G 4.1020 8.8346 116.8715 44.3075 0.0000 173.2060 9 G 4.3094 8.9014 109.4247 42.1601 0.0000 173.9168 10 G 4.5204 6.8514 115.5342 45.6442 0.0000 172.1961 11 L 5.3131 8.0712 119.1089 53.3768 46.3036 174.9277 12 A 4.7042 8.3460 125.3234 50.3826 22.9478 175.3330 13 Q 4.2879 8.6955 120.4967 55.8403 30.7720 175.9946 14 A 5.0670 7.8925 125.7529 53.5353 16.7390 176.2621 15 G 3.6012 8.7813 110.8253 45.8873 0.0000 172.4630 16 G 4.1042 8.4085 108.6234 46.4691 0.0000 172.4055 17 S 5.1272 7.9532 113.6419 57.2765 67.8336 173.1393 18 L 4.5883 8.6340 123.3515 55.4322 45.9894 173.5939 19 R 5.1100 8.7110 123.7064 55.2687 32.6511 176.0878 20 L 4.6668 8.0072 122.4818 53.7085 44.4496 175.3833 21 S 5.5206 8.7549 113.4411 59.5762 68.1140 173.3387 22 C 5.3509 8.3114 119.4001 55.8909 46.2054 172.7012 23 V 5.1242 8.5076 124.7977 60.1700 35.3057 174.3884 24 V 4.6896 7.9729 116.5851 59.9820 36.7102 174.7666 25 S 4.9596 8.4190 119.8505 56.7296 63.5901 174.0573 26 G 4.6599 8.2801 109.7924 46.1800 0.0000 171.0488 27 I 4.7003 7.7217 112.0924 59.2854 40.4013 174.0437 28 T 4.6081 8.2570 112.2153 59.7095 70.8098 174.4842 29 F 4.1525 8.6937 127.1171 58.4704 40.2256 171.4348 30 A 3.8262 7.8413 124.8147 53.8735 17.1046 180.4787 31 S 3.8364 8.1260 115.1017 60.7492 62.7866 177.3661 32 E 4.7810 7.4073 116.8245 54.9365 31.3690 179.3649 33 A 4.5024 8.4694 126.3198 50.2580 21.1639 176.3518 34 W 4.8146 7.9543 119.8951 57.1882 33.6223 173.8806 35 G 4.6449 7.9586 106.1748 46.9356 0.0000 172.1577 36 W 5.5593 7.9547 118.2140 54.9873 32.9626 174.4028 37 Y 5.5420 9.9863 122.3845 56.2941 40.4379 174.7538 38 R 4.6695 8.6062 121.5486 54.4291 32.2171 175.2757 39 R 4.8896 8.6139 121.0674 54.4458 33.4684 175.0312 40 A 4.5885 8.5908 128.3921 50.8736 19.4280 176.0084 41 P 4.2746 0.0000 0.0000 65.6549 31.3219 178.0002 42 G 3.9790 7.9462 102.7584 45.1163 0.0000 172.8597 43 K 4.3475 7.3367 120.7578 55.3926 33.8552 176.5687 44 Q 4.4006 8.1055 120.1017 54.8780 29.2268 174.4117 45 R 4.2608 8.3657 118.3389 57.1407 31.1621 176.2592 46 E 4.6465 9.3004 120.9903 54.0392 32.2551 174.9362 47 L 3.9536 8.8590 127.3192 55.7848 42.0184 175.9504 48 I 4.2103 9.6666 128.5928 62.5270 38.1811 174.9924 49 A 4.9941 7.9111 121.5424 49.1019 23.1141 173.6696 50 A 5.0753 8.4044 122.5120 50.0338 21.8965 174.8156 51 I 4.7455 8.1945 122.2410 59.0461 40.6452 175.3852 52 N 4.5870 9.5271 129.1056 53.1644 39.6977 174.7730 53 N 4.7128 8.5616 115.3591 54.5319 38.9128 175.8269 54 E 4.4781 8.2307 117.2742 57.3198 31.0038 176.6529 55 G 4.7188 7.5689 104.3268 42.9381 0.0000 172.8466 56 R 4.3346 8.3581 122.2170 57.1088 31.6236 175.1315 57 T 4.9377 8.0728 113.7046 63.1748 72.3989 173.1781 58 N 5.1752 8.6018 120.8971 51.8214 43.1585 172.7408 59 Y 5.0624 8.3315 116.7392 56.0874 42.6615 175.3507 60 V 3.9418 8.2286 118.9767 62.4815 32.2437 176.7320 61 D 4.5280 8.8275 125.5100 57.5189 40.7895 178.1772 62 S 4.4518 8.0585 113.1230 59.8679 63.3757 175.0452 63 V 4.5600 8.0896 112.5322 60.5883 32.4894 175.5151 64 K 3.9629 8.0939 120.9718 57.6646 32.3062 177.1778 65 G 4.0340 8.5850 110.4077 46.7608 0.0000 174.2395 66 R 4.2317 6.6963 113.3739 56.9776 33.0869 176.3908 67 F 4.6272 8.0692 118.1972 57.6174 40.6780 175.0010 68 T 4.8879 8.4859 111.0163 60.5780 71.6471 173.0335 69 V 5.0676 8.8513 126.5755 59.9395 33.8762 175.2453 70 S 5.0871 9.4209 117.1243 57.0017 66.8017 172.8152 71 R 5.4860 8.7827 116.2928 54.6885 32.9985 173.6717 72 D 4.9585 8.9060 119.7520 52.9721 43.3106 176.4074 73 N 4.2359 8.9849 122.6457 55.7473 39.2657 177.2683 74 A 4.0937 8.0339 119.3474 54.1131 18.5701 177.7287 75 K 4.3211 7.7098 112.1304 54.9802 34.4258 175.7234 76 N 3.1400 7.1125 115.5289 53.8480 36.3540 173.5764 77 V 5.0218 6.9663 116.8977 60.0713 35.8596 174.7509 78 M 4.8321 8.2275 126.7315 54.3258 33.9824 174.3047 79 Y 5.0796 9.4585 121.9597 56.3052 41.0662 174.7340 80 L 4.9233 8.3375 125.3985 52.9672 43.2574 173.4693 81 Q 4.4967 8.8142 125.7322 55.6988 29.9645 173.8137 82 M 4.7550 8.9889 127.7669 54.0364 33.8848 175.3642 83 N 5.4708 7.9661 119.6358 51.5417 42.5993 174.5668 84 S 4.0764 8.1332 112.9502 58.4014 60.4572 169.7969 85 L 4.4583 7.5787 121.3971 52.6300 42.8279 176.6945 86 K 4.3811 8.3735 123.5311 55.3632 32.4331 176.4572 87 P 4.3810 0.0000 0.0000 64.8762 31.6375 178.6046 88 E 4.0852 8.1946 117.6181 59.4090 29.5598 178.0435 89 D 4.5793 8.3258 117.7988 57.0218 40.9957 175.9569 90 T 4.6057 7.5321 114.0251 64.3382 68.4291 173.2204 91 A 4.4449 8.4058 126.3525 51.0592 23.1495 175.1974 92 V 4.2691 8.5950 120.1603 62.6719 32.2549 174.6409 93 Y 4.9225 9.2129 127.3875 57.8813 39.1946 174.7504 94 Y 5.3948 10.3325 122.2280 56.3050 42.2937 172.1755 95 C 5.1342 9.1991 114.8587 53.9450 45.3850 172.7889 96 N 3.9151 9.1041 120.3709 52.3275 42.9581 172.3376 97 A 4.1486 6.6760 124.3173 49.7197 19.2005 177.6067 98 N 4.6073 8.6282 123.0331 54.4679 39.0031 171.8583 99 L 4.1692 8.5562 119.9592 55.9474 44.5048 177.3901 100 Q 4.0722 9.1184 120.1449 56.4684 27.0844 174.5568 101 T 3.6090 8.3755 107.3567 59.3406 65.7735 177.5944 102 G 4.5628 7.3228 119.6355 48.7560 0.0000 175.0968 103 T 4.3350 7.2298 118.1246 59.9950 68.1646 178.5534 104 L 4.3089 7.4051 133.9042 52.6757 40.8385 180.3691 105 S 3.6498 8.8323 117.4221 59.9987 58.8471 168.9091 106 G 4.0631 8.2815 112.7269 44.7015 0.0000 170.8298 107 A 3.5923 8.4949 130.1433 54.3741 16.9228 178.7340 108 R 4.2494 8.5928 115.1474 59.3547 32.0321 173.7950 109 L 3.6370 8.1841 124.1117 54.2420 40.5734 175.6010 *110 Y 4.6620 7.5054 115.3935 55.7019 40.5714 174.8552 111 W 4.6583 8.5435 123.1839 54.9105 30.5220 176.9716 112 G 4.3428 8.8372 111.0627 44.3736 0.0000 173.4733 113 Q 4.0345 8.7365 120.9635 58.1615 29.1566 176.1820 114 G 3.3457 8.9539 101.2775 44.4046 0.0000 171.7097 115 T 4.6970 8.5507 112.1373 60.2074 71.4525 172.3481 116 Q 4.7171 8.5557 127.5039 55.1491 31.4229 174.4725 117 V 4.3763 8.3501 124.3152 61.5612 35.0520 174.2082 118 T 4.9853 8.4822 123.0566 61.9480 72.6212 174.8991 119 V 4.7724 8.8772 118.6843 61.0156 32.8329 174.9600 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 V 8.00 4.60 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 1.41 0.00 0.00 1.03 0.00 0.00 3 Q 8.53 4.23 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 4 P 0.00 4.60 0.00 2.15 2.16 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 5 Q 8.39 4.61 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 6 E 8.63 4.89 0.00 2.16 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 2.56 2.45 0.00 7 S 9.33 4.71 0.00 3.92 3.98 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 8 G 8.83 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 0.00 0.00 0.00 9 G 8.90 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 0.00 0.00 0.00 0.00 10 G 6.85 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.07 5.31 0.00 1.59 1.48 1.01 1.05 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 12 A 8.35 4.70 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 13 Q 8.70 4.29 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 14 A 7.89 5.07 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 15 G 8.78 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 0.00 0.00 0.00 16 G 8.41 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 0.00 0.00 0.00 17 S 7.95 5.13 0.00 3.69 3.98 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 18 L 8.63 4.59 0.00 1.61 1.37 0.90 1.05 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 19 R 8.71 5.11 0.00 1.60 1.64 0.00 3.30 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 20 L 8.01 4.67 0.00 0.74 1.49 0.43 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.75 5.52 0.00 3.85 3.72 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 22 C 8.31 5.35 0.00 2.67 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 V 8.51 5.12 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 1.22 0.00 0.00 0.84 0.00 0.00 24 V 7.97 4.69 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 1.04 0.00 0.00 0.80 0.00 0.00 25 S 8.42 4.96 0.00 3.76 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 26 G 8.28 4.66 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 27 I 7.72 4.70 1.90 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 1.49 0.60 0.94 0.00 0.00 28 T 8.26 4.61 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 1.24 0.00 0.00 29 F 8.69 4.15 0.00 3.03 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 30 A 7.84 3.83 1.42 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 31 S 8.13 3.84 0.00 3.64 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 32 E 7.41 4.78 0.00 1.67 1.75 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 2.17 2.11 0.00 33 A 8.47 4.50 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 34 W 7.95 4.81 0.00 3.19 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 35 G 7.96 4.64 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 0.00 0.00 0.00 36 W 7.95 5.56 0.00 3.23 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 37 Y 9.99 5.54 0.00 2.92 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 38 R 8.61 4.67 0.00 1.00 0.66 0.00 2.37 0.00 0.00 2.57 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 39 R 8.61 4.89 0.00 1.85 1.86 0.00 3.07 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 40 A 8.59 4.59 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 41 P 0.00 4.27 0.00 2.06 2.17 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 42 G 7.95 3.98 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 0.00 0.00 0.00 43 K 7.34 4.35 0.00 1.80 1.76 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.37 7.81 44 Q 8.11 4.40 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 45 R 8.37 4.26 0.00 1.50 1.80 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.21 0.00 46 E 9.30 4.65 0.00 1.93 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 0.00 2.40 2.11 0.00 47 L 8.86 3.95 0.00 1.69 1.60 -0.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 48 I 9.67 4.21 1.82 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.18 0.65 0.00 0.00 49 A 7.91 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.40 5.08 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 51 I 8.19 4.75 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.62 1.02 0.00 0.00 52 N 9.53 4.59 0.00 2.79 2.71 0.00 0.00 6.93 6.59 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 53 N 8.56 4.71 0.00 2.74 2.93 0.00 0.00 6.75 7.66 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 54 E 8.23 4.48 0.00 1.96 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 2.24 2.29 0.00 55 G 7.57 4.72 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 0.00 0.00 0.00 56 R 8.36 4.33 0.00 1.79 1.93 0.00 3.16 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 57 T 8.07 4.94 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 0.69 0.00 0.00 58 N 8.60 5.18 0.00 2.62 2.62 0.00 0.00 6.79 7.35 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 59 Y 8.33 5.06 0.00 2.84 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 60 V 8.23 3.94 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 1.08 0.00 0.00 0.98 0.00 0.00 61 D 8.83 4.53 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 62 S 8.06 4.45 0.00 3.92 3.98 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 63 V 8.09 4.56 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 0.99 0.00 0.00 1.20 0.00 0.00 64 K 8.09 3.96 0.00 1.85 1.75 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.65 1.69 7.81 65 G 8.59 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 0.00 0.00 0.00 66 R 6.70 4.23 0.00 1.93 1.52 0.00 3.16 0.00 0.00 3.27 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.77 0.00 67 F 8.07 4.63 0.00 2.97 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 68 T 8.49 4.89 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 1.17 0.00 0.00 69 V 8.85 5.07 2.27 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 0.78 0.00 0.00 1.34 0.00 0.00 70 S 9.42 5.09 0.00 3.95 4.04 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 71 R 8.78 5.49 0.00 2.13 2.13 0.00 3.16 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 72 D 8.91 4.96 0.00 3.00 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 73 N 8.98 4.24 0.00 2.95 2.98 0.00 0.00 7.03 7.54 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 74 A 8.03 4.09 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 75 K 7.71 4.32 0.00 1.67 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.34 7.81 76 N 7.11 3.14 0.00 2.57 2.34 0.00 0.00 6.33 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 77 V 6.97 5.02 1.64 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 0.36 0.00 0.00 0.77 0.00 0.00 78 M 8.23 4.83 0.00 2.37 1.92 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 79 Y 9.46 5.08 0.00 2.97 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 80 L 8.34 4.92 0.00 0.66 0.68 0.82 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.81 4.50 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 82 M 8.99 4.76 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.83 0.00 83 N 7.97 5.47 0.00 2.41 2.57 0.00 0.00 7.49 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 84 S 8.13 4.08 0.00 3.86 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 85 L 7.58 4.46 0.00 1.69 1.61 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.37 4.38 0.00 1.86 1.74 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.44 7.81 87 P 0.00 4.38 0.00 2.19 2.12 0.00 3.61 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 2.13 2.28 0.00 88 E 8.19 4.09 0.00 2.03 2.06 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 2.35 2.36 0.00 89 D 8.33 4.58 0.00 2.91 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 90 T 7.53 4.61 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 91 A 8.41 4.44 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 92 V 8.59 4.27 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 0.72 0.00 0.00 0.99 0.00 0.00 93 Y 9.21 4.92 0.00 3.02 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 94 Y 10.33 5.39 0.00 3.12 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 95 C 9.20 5.13 0.00 1.81 1.18 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 0.00 0.00 0.00 0.00 96 N 9.10 3.92 0.00 2.04 1.89 0.00 0.00 6.57 7.08 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 97 A 6.68 4.15 -0.05 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 0.00 0.00 98 N 8.63 4.61 0.00 2.52 2.61 0.00 0.00 6.65 7.79 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 99 L 8.56 4.17 0.00 1.50 1.49 0.92 0.81 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 0.00 100 Q 9.12 4.07 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.74 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 101 T 8.38 3.61 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 0.00 102 G 7.32 4.56 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 0.00 0.00 0.00 103 T 7.23 4.34 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 0.00 104 L 7.41 4.31 0.00 1.66 1.33 0.92 0.88 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 0.00 105 S 8.83 3.65 0.00 3.77 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 0.00 106 G 8.28 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 0.00 0.00 0.00 107 A 8.49 3.59 1.07 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 0.00 0.00 108 R 8.59 4.25 0.00 1.79 1.78 0.00 3.41 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 109 L 8.18 3.64 0.00 1.82 1.56 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 *110 Y 7.51 4.66 0.00 2.28 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 0.00 0.00 0.00 0.00 111 W 8.54 4.66 0.00 3.19 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 0.00 112 G 8.84 4.34 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 0.00 113 Q 8.74 4.03 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 114 G 8.95 3.35 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 0.00 115 T 8.55 4.70 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 1.45 0.00 0.00 116 Q 8.56 4.72 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 117 V 8.35 4.38 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 0.84 0.00 0.00 0.31 0.00 0.00 118 T 8.48 4.99 4.36 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 1.23 0.00 0.00 119 V 8.88 4.77 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 1.04 0.00 0.00 1.03 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.