NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.2643 8.1300 115.1755 56.3702 39.9299 176.6673 13 V 3.4226 8.1344 122.9971 66.8336 30.9406 175.3192 14 A 4.0023 8.7166 120.0982 55.3304 19.1278 178.4485 15 E 4.0970 8.2509 116.5730 59.7421 29.5823 179.5828 16 L 4.1174 8.4199 119.0229 57.6460 41.7580 179.2427 17 N 4.3742 8.2735 116.7699 56.1733 38.2302 176.5934 18 N 4.5305 7.8946 116.6372 55.3981 39.3581 175.7717 19 L 4.5029 7.7970 119.1484 53.4749 42.1640 176.0924 20 L 4.2459 7.0188 119.8548 56.6245 41.9088 177.8921 21 G 3.9707 9.4690 112.0191 45.2353 0.0000 173.1983 22 R 4.6752 8.0672 118.9872 54.1957 33.1713 175.0908 23 E 4.7475 8.5724 121.8235 56.4960 30.7547 175.8876 24 V 4.7222 8.7251 118.1572 60.1344 37.3538 173.2942 25 Q 5.0585 9.1242 122.7598 54.3721 32.0848 174.1137 26 V 4.7890 9.0879 126.1838 61.1617 34.3647 174.0918 27 V 4.4636 8.4431 128.5849 61.7216 32.9625 174.7879 28 L 5.3821 8.8015 128.3346 53.0363 44.0306 177.7804 29 S 4.3984 9.1499 115.8915 59.9473 63.0700 174.4442 30 N 4.7116 8.2472 118.1530 52.7489 37.3164 175.5195 31 G 4.0616 8.1648 109.1541 45.7354 0.0000 174.4062 32 E 4.2501 8.1762 118.8528 56.3283 31.2070 176.3114 33 V 4.8051 7.9319 120.5160 61.5622 35.1659 173.4282 34 Y 5.1196 9.2920 125.6863 55.9880 41.0824 174.4553 35 K 4.9777 8.7005 125.2283 54.8669 35.3930 175.4649 36 G 4.3885 8.1513 111.9096 46.1559 0.0000 171.5844 37 V 4.5095 8.1195 120.5702 61.8546 33.0515 175.4774 38 L 4.2925 9.1283 130.6695 56.1595 42.0856 176.3506 39 H 4.7297 9.0589 127.5414 58.1563 31.0249 175.1324 40 A 4.6629 7.5679 116.7690 51.0812 22.4041 175.7586 41 V 4.8226 8.5898 118.9782 60.3223 34.8738 174.0705 42 D 5.0897 8.3190 125.0808 51.1137 42.1219 176.3853 43 N 4.2800 8.5887 115.4315 56.1831 38.4626 176.2730 44 Q 3.9131 7.9844 114.4857 55.4012 29.0557 175.5222 45 L 3.7471 7.8526 117.0408 55.7580 39.2185 174.4998 46 N 4.9239 8.8289 115.8163 53.5349 40.0790 174.4961 47 I 4.9318 8.7734 121.2309 59.6311 41.9748 174.4408 48 V 4.7218 8.7709 125.1333 61.0907 34.2853 174.1735 49 L 5.2033 8.7268 127.4157 52.9218 44.7627 175.0999 50 A 4.8512 9.0120 124.2314 50.7059 21.5408 176.2333 51 N 4.0823 8.0556 117.5485 54.4920 36.7335 173.1483 52 A 5.2957 8.2536 120.6777 50.5664 23.0365 177.1509 53 S 5.8434 9.3138 112.5321 57.0991 67.2101 173.5619 54 N 5.4480 8.3734 118.8188 50.4532 39.7086 175.5811 55 K 3.9712 8.4757 116.8750 58.6675 32.1074 177.8639 56 A 4.2372 7.9870 120.2098 51.8335 18.8574 178.0576 57 G 3.9128 8.0505 104.5343 45.3261 0.0000 173.8335 58 E 4.1140 8.4697 120.4153 55.8257 30.6974 175.8345 59 K 5.0032 8.0655 122.7672 54.5924 34.7778 175.5858 60 F 4.8236 9.2801 122.1559 55.5611 42.7942 175.6376 61 N 4.4074 9.0638 121.0201 56.4732 40.0394 174.8978 62 R 4.9667 7.8262 115.3962 54.3519 34.5116 175.0058 63 V 3.9262 8.2446 122.6860 61.0502 34.4018 174.2713 64 F 4.7084 8.6591 127.5460 56.6278 39.7621 175.1383 65 I 4.4960 8.5947 130.3141 60.3192 39.9392 176.1537 *67 Y 4.7412 8.4850 119.0040 58.0664 39.7242 177.3823 68 R 3.7780 7.2070 117.8689 58.2674 30.2913 176.6025 69 Y 4.4007 7.8333 113.9709 57.5066 38.5439 174.3533 70 I 4.4206 7.5648 122.1779 60.7668 37.5588 175.8752 71 V 4.0687 8.9025 128.7429 65.3104 31.8405 175.4461 72 H 5.0297 7.7752 113.4994 54.6485 32.0096 171.4906 73 I 5.1142 8.2621 119.1837 59.6817 39.9090 174.8301 74 D 5.0962 9.4315 126.1434 52.5736 44.7535 174.9332 75 S 4.8909 8.4203 115.2131 57.0681 65.2125 173.6770 76 T 4.3642 8.7517 115.5632 61.5668 69.4087 174.2773 77 E 4.3578 7.7472 121.9432 55.3388 30.7964 175.5917 78 R 4.4060 8.3363 122.2549 54.7743 30.8735 175.5613 79 R 4.6628 8.2121 124.1282 54.1403 32.9114 175.6486 80 I 3.9518 8.2830 123.2146 61.0629 38.0209 174.6558 81 D 5.0047 8.5852 123.1190 52.4092 44.8403 175.9229 *83 R 3.8320 8.3018 117.4137 56.0809 32.0632 178.2160 84 E 4.0507 8.0614 117.0890 59.0495 29.3571 178.9435 85 F 3.3741 8.1535 120.6098 61.0237 39.3064 176.9565 86 A 3.8889 7.9826 119.7474 55.1592 17.9546 179.5905 87 K 3.8913 7.6236 115.5631 59.6947 32.4152 179.3588 88 Q 4.0418 8.0007 118.1455 58.7677 28.5971 178.4981 89 A 3.9263 7.8434 122.2793 55.0486 18.1872 179.1327 90 E 3.9710 8.2476 117.8261 59.4732 29.3927 179.0743 91 K 4.0499 7.7602 116.6322 58.3197 32.2028 178.5257 92 I 3.9034 7.3796 118.7762 61.7100 39.0681 176.0170 93 F 4.9355 8.3640 116.4983 54.6706 38.9015 173.7948 94 P 4.4959 0.0000 0.0000 63.8214 31.9239 176.9492 95 G 3.5233 8.7577 110.3879 46.3160 0.0000 173.7130 *97 V 4.1283 7.4647 116.5983 62.4070 33.1454 174.8183 98 K 4.6326 8.8567 127.8997 54.9014 35.7933 174.1715 99 Y 4.8448 8.7437 128.4179 57.0290 40.8425 174.0856 100 I 4.3355 7.7888 127.9045 59.0391 38.0413 176.0689 101 E 3.7044 8.3607 125.9154 58.8868 29.8289 178.7476 102 E 4.0523 8.1348 118.3697 58.6510 29.5420 177.4428 103 T 4.3575 7.3631 104.6800 60.0943 70.1583 172.7641 104 N 4.1204 7.9292 118.7865 54.1992 37.6643 172.5156 105 V 4.7147 6.8813 116.4082 61.1923 36.6935 174.3239 106 V 4.9149 8.6463 122.8404 61.0810 34.3827 173.9470 107 L 4.9216 9.1618 128.4317 53.3657 43.5513 175.4777 108 I 4.2714 8.3503 124.9277 60.2386 39.2698 176.8247 109 G 4.0423 8.4065 118.4200 45.4637 0.0000 171.5962 110 D 4.5744 8.5783 116.5428 54.7743 41.6297 177.7707 111 K 4.5458 7.9211 114.9107 56.2570 34.3374 175.9076 112 V 4.6960 7.3971 112.3512 59.3437 35.3053 174.6855 113 R 4.9786 8.9464 123.6619 54.5609 33.6196 173.7787 114 V 4.6509 8.8065 126.4481 61.1253 34.2975 174.6670 115 S 5.2333 8.2411 122.5568 56.2377 65.9028 174.6686 116 E 4.2389 8.9990 118.3349 58.9218 29.1952 177.9833 117 I 4.2342 8.6422 110.2643 60.1740 38.2039 175.0254 118 G 3.3050 6.4583 107.9985 42.9249 0.0000 173.0253 119 V 4.0895 7.1749 113.5897 60.2247 32.6078 175.6773 120 E 4.4649 9.7936 124.3753 53.9835 31.9967 175.0799 121 G 4.5403 7.7777 110.7298 43.3184 0.0000 172.1931 122 V 4.3607 7.8389 112.8284 59.6951 35.5215 175.7704 123 G 3.9014 8.5775 106.8579 44.1981 0.0000 172.3755 124 P 4.2567 0.0000 0.0000 65.6916 31.1361 178.8426 125 V 3.7616 7.9078 116.0359 66.1968 31.4287 177.6264 126 A 3.9827 8.0022 119.7832 55.3265 18.2708 179.2707 127 E 4.0101 8.3835 117.0428 59.5581 29.5406 179.6327 128 R 4.0191 8.5887 118.9473 59.3283 30.2020 178.3798 129 A 4.3877 8.9060 121.0606 55.2011 18.3855 179.7452 130 K 4.0797 8.6646 117.4457 59.8398 32.1469 179.8484 131 R 4.0690 8.0610 117.9007 59.0358 29.9160 178.8846 132 L 4.0991 8.3229 120.3088 58.0969 42.1451 178.6818 133 F 4.4348 9.0609 121.0599 61.6651 39.1118 176.9681 134 E 3.9285 8.2943 116.7594 59.4759 29.6043 178.9496 135 E 4.1337 8.3824 118.7385 59.1661 29.2936 178.9341 136 F 4.2898 8.4715 120.3278 61.6275 39.5526 177.0582 137 L 3.6841 7.6562 116.9962 57.0803 41.3641 177.6256 138 K 4.1715 7.5483 123.3635 56.6371 32.2955 176.1792 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 12 F 8.13 5.26 0.00 3.24 3.40 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 13 V 8.13 3.42 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 1.06 0.00 0.00 0.87 0.00 0.00 14 A 8.72 4.00 1.32 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 15 E 8.25 4.10 0.00 2.27 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 2.44 2.61 0.00 16 L 8.42 4.12 0.00 1.78 1.78 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.27 4.37 0.00 3.04 2.89 0.00 0.00 6.53 6.22 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 18 N 7.89 4.53 0.00 2.83 3.02 0.00 0.00 7.17 8.15 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 19 L 7.80 4.50 0.00 1.88 1.67 0.90 0.39 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 20 L 7.02 4.25 0.00 1.73 1.64 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.47 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 0.00 0.00 0.00 22 R 8.07 4.68 0.00 1.82 2.06 0.00 3.30 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 1.66 1.70 0.00 23 E 8.57 4.75 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 2.30 2.35 0.00 24 V 8.73 4.72 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 0.78 0.00 0.00 0.95 0.00 0.00 25 Q 9.12 5.06 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 26 V 9.09 4.79 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 1.01 0.00 0.00 0.97 0.00 0.00 27 V 8.44 4.46 1.71 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 0.95 0.00 0.00 0.83 0.00 0.00 28 L 8.80 5.38 0.00 1.93 1.73 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.15 4.40 0.00 4.05 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 30 N 8.25 4.71 0.00 2.84 2.93 0.00 0.00 6.29 7.00 0.00 0.00 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 G 8.16 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 32 E 8.18 4.25 0.00 2.16 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 2.33 2.41 0.00 33 V 7.93 4.81 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 1.00 0.00 0.00 0.91 0.00 0.00 34 Y 9.29 5.12 0.00 2.91 2.88 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 35 K 8.70 4.98 0.00 1.80 1.64 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.59 7.81 36 G 8.15 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 0.00 0.00 0.00 0.00 37 V 8.12 4.51 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 0.86 0.00 0.00 0.94 0.00 0.00 38 L 9.13 4.29 0.00 1.79 1.74 0.95 0.84 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 39 H 9.06 4.73 0.00 3.12 3.45 0.00 6.04 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 40 A 7.57 4.66 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 41 V 8.59 4.82 2.12 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 1.06 0.00 0.00 0.98 0.00 0.00 42 D 8.32 5.09 0.00 2.87 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 N 8.59 4.28 0.00 2.68 2.86 0.00 0.00 6.84 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 44 Q 7.98 3.91 0.00 1.89 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.64 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 45 L 7.85 3.75 0.00 1.70 1.86 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.83 4.92 0.00 3.00 2.86 0.00 0.00 6.81 7.19 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 47 I 8.77 4.93 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 0.94 0.00 0.00 48 V 8.77 4.72 2.12 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 0.77 0.00 0.00 1.15 0.00 0.00 49 L 8.73 5.20 0.00 1.51 1.51 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.01 4.85 1.11 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 51 N 8.06 4.08 0.00 2.83 2.84 0.00 0.00 6.80 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 52 A 8.25 5.30 1.39 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 0.00 0.00 0.00 53 S 9.31 5.84 0.00 3.89 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 54 N 8.37 5.45 0.00 2.48 1.88 0.00 0.00 6.75 6.90 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 55 K 8.48 3.97 0.00 1.69 1.87 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.33 7.81 56 A 7.99 4.24 1.31 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 57 G 8.05 3.91 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 0.00 0.00 0.00 58 E 8.47 4.11 0.00 2.15 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 2.30 2.31 0.00 59 K 8.07 5.00 0.00 1.42 1.59 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.47 7.81 60 F 9.28 4.82 0.00 2.96 2.93 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 61 N 9.06 4.41 0.00 2.80 2.86 0.00 0.00 6.89 7.65 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 62 R 7.83 4.97 0.00 1.60 0.97 0.00 3.06 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 63 V 8.24 3.93 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 0.40 0.00 0.00 0.69 0.00 0.00 64 F 8.66 4.71 0.00 2.94 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 65 I 8.59 4.50 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.82 0.94 0.00 0.00 *67 Y 8.49 4.74 0.00 3.26 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 68 R 7.21 3.78 0.00 1.35 1.39 0.00 2.92 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.00 69 Y 7.83 4.40 0.00 3.09 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 70 I 7.56 4.42 2.00 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 1.20 0.62 1.01 0.00 0.00 71 V 8.90 4.07 2.21 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 0.87 0.00 0.00 0.96 0.00 0.00 72 H 7.78 5.03 0.00 3.18 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.26 5.11 1.78 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.96 0.00 0.00 74 D 9.43 5.10 0.00 2.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.89 0.00 3.78 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.75 4.36 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 1.20 0.00 0.00 77 E 7.75 4.36 0.00 2.00 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 2.28 2.22 0.00 78 R 8.34 4.41 0.00 1.70 1.78 0.00 3.08 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 79 R 8.21 4.66 0.00 1.79 1.79 0.00 3.42 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 80 I 8.28 3.95 1.96 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 1.25 0.47 1.20 0.00 0.00 81 D 8.59 5.00 0.00 2.82 2.65 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 *83 R 8.30 3.83 0.00 1.96 1.74 0.00 3.00 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.56 0.00 84 E 8.06 4.05 0.00 2.45 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 0.00 2.38 2.54 0.00 85 F 8.15 3.37 0.00 1.85 2.79 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 86 A 7.98 3.89 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 87 K 7.62 3.89 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.59 7.81 88 Q 8.00 4.04 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 89 A 7.84 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.25 3.97 0.00 2.17 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 2.30 2.40 0.00 91 K 7.76 4.05 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.63 7.81 92 I 7.38 3.90 1.62 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.20 -0.24 0.00 0.00 93 F 8.36 4.94 0.00 2.89 2.93 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 94 P 0.00 4.50 0.00 2.18 2.09 0.00 3.50 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 95 G 8.76 3.52 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 *97 V 7.46 4.13 2.29 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 0.78 0.00 0.00 1.04 0.00 0.00 98 K 8.86 4.63 0.00 1.82 1.57 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 99 Y 8.74 4.84 0.00 3.12 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 I 7.79 4.34 1.62 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.85 0.00 0.00 101 E 8.36 3.70 0.00 2.16 2.26 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 2.25 2.31 0.00 102 E 8.13 4.05 0.00 1.89 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 2.29 2.34 0.00 103 T 7.36 4.36 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 1.16 0.00 0.00 104 N 7.93 4.12 0.00 2.93 2.92 0.00 0.00 6.83 7.33 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 0.00 105 V 6.88 4.71 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 0.91 0.00 0.00 0.88 0.00 0.00 106 V 8.65 4.91 2.34 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 1.15 0.00 0.00 1.28 0.00 0.00 107 L 9.16 4.92 0.00 1.55 1.52 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.35 4.27 1.57 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.87 -0.01 0.00 0.00 109 G 8.41 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 0.00 0.00 0.00 110 D 8.58 4.57 0.00 2.63 2.67 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 0.00 0.00 0.00 111 K 7.92 4.55 0.00 1.68 1.74 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.45 7.81 112 V 7.40 4.70 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 0.66 0.00 0.00 0.79 0.00 0.00 113 R 8.95 4.98 0.00 1.75 1.64 0.00 2.98 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 114 V 8.81 4.65 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 0.09 0.00 0.00 0.88 0.00 0.00 115 S 8.24 5.23 0.00 3.85 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 0.00 116 E 9.00 4.24 0.00 2.05 2.18 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 2.45 2.38 0.00 117 I 8.64 4.23 1.89 0.00 0.00 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 1.20 0.52 0.94 0.00 0.00 118 G 6.46 3.31 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 0.00 119 V 7.17 4.09 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 0.52 0.00 0.00 0.86 0.00 0.00 120 E 9.79 4.46 0.00 1.80 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 2.13 2.15 0.00 121 G 7.78 4.54 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 0.00 122 V 7.84 4.36 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.58 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 0.00 124 P 0.00 4.26 0.00 2.22 2.16 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 125 V 7.91 3.76 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 0.85 0.00 0.00 0.99 0.00 0.00 126 A 8.00 3.98 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 0.00 127 E 8.38 4.01 0.00 2.22 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 2.50 2.49 0.00 128 R 8.59 4.02 0.00 2.04 2.44 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.77 0.00 129 A 8.91 4.39 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 0.00 130 K 8.66 4.08 0.00 2.04 1.97 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.67 7.81 131 R 8.06 4.07 0.00 1.95 2.05 0.00 3.17 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 132 L 8.32 4.10 0.00 1.97 2.22 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.06 4.43 0.00 3.10 3.27 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 0.00 134 E 8.29 3.93 0.00 2.07 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 0.00 2.47 2.78 0.00 135 E 8.38 4.13 0.00 2.25 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 2.52 2.51 0.00 136 F 8.47 4.29 0.00 3.20 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 0.00 137 L 7.66 3.68 0.00 1.58 1.49 0.59 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.55 4.17 0.00 1.97 1.78 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.