NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2759 8.1727 120.0808 56.0751 34.4584 173.9721 4 K 4.5417 8.8006 124.8762 54.5245 34.3596 169.6593 5 V 4.8562 9.4869 123.6335 59.4926 35.3118 174.2007 6 A 4.9601 8.7033 126.3907 50.4198 21.1438 175.7419 7 I 4.7662 8.4792 123.8124 60.0115 39.1949 174.0757 8 Y 5.3923 8.8315 129.0065 56.0258 40.5341 174.8465 9 T 4.8205 8.2697 116.1889 60.1666 72.6647 172.7062 10 R 5.1220 8.4998 121.3654 55.4370 33.5769 174.4561 11 V 4.7677 8.5621 117.0596 59.6196 36.2879 175.6066 12 S 5.2784 8.8405 118.2301 56.1260 65.1331 175.1861 13 T 4.0664 8.2231 107.3220 61.9647 68.5598 175.2923 *20 G 3.8523 7.5563 113.1389 46.3331 0.0000 175.3460 21 F 5.2220 8.4951 122.2597 54.5601 42.2405 175.2243 22 S 4.4412 8.5670 118.5533 58.0055 64.8712 175.4861 23 I 3.6692 8.2661 122.7775 64.9108 36.8290 178.1965 24 D 4.3280 8.1227 118.9303 57.5265 40.5601 178.5929 25 E 3.7539 8.0540 119.2595 59.1088 29.5951 178.7688 26 Q 3.7800 8.1167 118.1554 59.0027 28.7480 178.9086 27 I 3.6713 7.8496 120.7898 64.3212 37.1302 177.9304 28 D 4.2529 8.1257 118.7753 57.5874 41.1250 178.5735 29 R 3.8642 8.0904 118.8115 59.1953 29.9610 179.0508 30 L 4.2922 7.9953 118.7519 57.7403 41.7219 179.5733 31 T 3.9292 8.2006 116.0160 66.5838 68.4316 176.8407 32 K 3.9434 8.0477 120.4526 59.5050 32.1685 178.8035 33 Y 4.0673 8.0815 119.4136 60.6419 38.7670 177.6796 34 A 3.8174 8.1509 121.6786 55.3791 18.6260 179.5061 35 E 3.8449 8.2774 116.7063 59.4745 29.3057 179.5066 36 A 3.9084 7.7245 119.6936 54.9032 18.4674 178.8323 37 M 3.6977 6.9875 114.9613 55.4487 32.0004 177.4773 38 G 3.8171 7.2664 106.8802 44.9858 0.0000 173.5001 39 W 4.8820 7.7851 119.2241 56.0712 30.7253 175.6226 40 Q 4.7139 8.6485 120.7671 54.4445 30.5292 175.3955 41 V 4.4902 8.4371 117.9280 61.1103 31.8651 176.3707 42 S 4.4572 9.3146 121.6463 61.1349 64.0958 173.6792 43 D 4.5505 7.7402 117.1293 53.6445 44.3539 174.2937 44 T 5.0627 8.3053 111.9838 60.1159 71.3907 173.5018 45 Y 4.5571 9.2309 121.3604 56.7475 41.2807 174.5325 46 T 4.6942 8.6298 121.0797 61.9125 71.5525 174.3698 47 D 4.8428 8.9775 127.8950 52.6397 41.2625 173.8114 48 A 4.2937 8.5280 123.0014 53.3493 19.2551 177.5057 49 G 3.9269 9.6180 114.2966 46.7787 0.0000 172.4566 50 F 4.8530 7.9780 115.7838 55.0361 43.1654 174.9137 51 S 4.4004 8.8470 118.7634 58.4724 62.9549 174.0615 52 G 4.0221 8.6317 113.3991 45.5119 0.0000 175.4663 53 A 3.9890 8.1296 124.0000 54.2534 18.5308 177.9255 54 K 4.7447 7.5967 112.3495 54.8072 36.1265 176.0998 55 L 4.3117 8.3090 118.9268 55.7449 42.0859 178.1820 56 E 4.3021 7.8995 116.7005 56.1502 27.6028 175.8792 57 R 4.4066 7.7881 124.5992 53.3283 35.5821 173.2053 58 P 4.1718 0.0000 0.0000 65.8300 31.5313 178.9666 59 A 4.2004 8.2874 119.4825 55.1825 18.1954 179.3337 60 M 3.9030 8.3447 116.7441 58.9921 32.2615 178.5384 61 Q 3.9888 8.2473 118.2172 58.8941 28.8729 178.6742 62 R 3.9692 8.2207 119.7897 59.2477 29.9093 178.1810 63 L 3.3996 7.8215 118.9707 58.2944 41.9669 178.7638 64 I 3.9345 7.9407 119.6908 64.5581 36.7998 178.2202 65 N 4.5521 8.3420 116.4732 55.8713 38.7581 176.5730 66 D 4.6231 8.2108 119.2211 55.4357 41.0922 178.2467 67 I 3.3747 7.3682 120.6705 64.4770 36.9835 177.7626 68 E 3.9553 8.1875 116.0347 59.7002 29.1195 178.5379 69 N 4.3741 7.7774 116.5260 53.7167 38.7014 175.1952 70 K 3.5622 7.5861 117.5726 57.4552 29.7969 176.3622 71 A 4.3472 7.8016 120.7253 52.9349 19.2141 177.9798 72 F 5.1156 6.9432 109.3511 55.3731 40.8775 173.6992 73 D 5.0017 9.4688 119.9715 53.3513 41.0785 175.1203 74 T 5.0122 7.8062 115.3544 62.3785 73.3585 172.4612 75 V 4.4035 8.7526 126.0263 60.9604 33.8999 173.9660 76 L 5.0394 9.1648 130.0795 53.4013 44.5711 175.4799 77 V 5.0447 8.5221 118.9139 59.7113 35.3889 176.1696 78 Y 4.2552 8.7819 123.5214 60.2416 40.1540 175.5273 79 K 4.7118 7.9147 118.6099 54.2821 35.7432 175.9061 80 L 4.1959 9.5105 128.5719 58.4578 42.0355 178.4927 81 D 5.3899 7.9447 114.5817 54.3646 39.9347 177.4873 82 R 4.2011 8.2568 119.7991 59.4958 30.3981 177.7867 83 L 4.1788 7.9972 118.1740 57.3625 42.5122 176.7428 84 S 4.7108 7.6479 109.7265 57.9941 64.8190 174.9909 85 R 4.4399 8.7295 124.1862 55.9681 30.2081 176.5102 86 S 4.7037 8.3029 114.2217 55.9774 64.8814 174.6481 87 V 3.5659 8.3626 128.4693 66.1921 31.4804 178.0140 88 R 3.8921 7.9668 117.2226 59.5729 29.9815 178.6660 89 D 4.3835 8.0080 118.2797 57.5339 40.7370 178.8374 90 T 3.7164 8.0613 116.3930 66.6853 68.4040 176.6033 91 L 3.8563 8.0395 120.8325 57.7242 41.6217 178.7561 92 Y 4.2561 7.8845 120.7171 60.1573 38.7335 178.0467 93 L 3.1308 8.1048 119.8885 57.6527 41.6151 179.8740 94 V 3.1784 7.5444 118.0976 65.5994 31.3424 177.9581 95 K 3.8451 8.0472 119.6234 59.3720 31.8561 178.1696 96 D 4.4294 7.8253 117.7435 55.0521 40.7880 177.7989 97 V 3.8302 6.8478 116.9316 64.5849 32.9448 177.1110 98 F 4.5602 7.9788 117.7371 60.7984 38.8437 177.8838 99 T 3.8887 8.2766 115.2374 66.7427 68.1783 176.5150 100 K 3.7664 7.5705 120.4793 59.0409 32.2433 176.8622 101 N 4.7678 7.5111 113.3237 52.4309 38.5228 174.6888 102 K 3.8677 8.1392 116.3485 57.7304 29.8638 175.4087 103 I 4.6439 7.8957 119.8053 59.6362 38.8352 176.0450 104 D 4.7697 8.9411 127.3413 54.1596 42.5238 175.1616 105 F 5.3523 9.3010 122.5603 56.6484 42.9963 173.5128 106 I 4.6818 8.0329 126.0675 59.3222 41.0626 174.2452 107 S 4.6479 8.5231 121.9634 56.3189 64.0659 174.2847 108 L 3.6493 8.6189 130.5706 58.0853 42.0879 178.8597 109 N 4.0598 7.7243 115.9858 56.2858 38.7946 175.3120 110 E 4.0324 7.9278 114.5064 55.9315 30.4806 175.6551 111 S 3.5397 7.1587 112.7818 59.4992 61.3170 172.2239 112 I 4.3074 7.5519 120.5046 59.5332 39.3091 175.1930 113 D 5.0379 8.4563 124.2801 52.4548 42.6613 175.7355 114 T 4.1301 8.8801 118.3959 63.6485 68.8669 175.5750 115 S 4.3619 8.7158 116.9472 59.5447 63.8699 175.0593 116 S 4.6225 8.0658 117.4187 57.2644 65.5802 174.7840 117 A 4.0259 8.4513 124.5969 55.8256 18.0938 179.9947 118 M 4.2708 8.1167 116.6135 57.9905 32.2348 179.0619 119 G 3.7174 8.4170 106.3818 47.7440 0.0000 175.7580 120 S 4.1300 8.3009 115.6311 61.0512 62.3816 175.9191 121 L 3.9552 8.0409 123.0229 58.0942 41.7521 178.4742 122 F 4.2100 8.5576 120.8704 61.4916 39.3140 176.7665 123 L 3.3909 7.8545 119.6291 58.3859 41.7970 179.1499 124 T 3.8238 7.6446 115.2054 66.5282 68.3668 176.9182 125 I 3.6723 7.9701 122.1221 64.1363 37.0951 178.0804 126 L 3.8176 7.7991 121.5885 58.1167 41.8691 178.9893 127 S 3.9634 7.8044 112.5771 61.3708 62.4502 176.0179 128 A 3.9913 7.9106 123.4016 55.2197 18.1205 179.7495 129 I 3.6977 8.2334 118.7595 64.4757 37.1283 178.0014 130 N 4.4728 8.4342 118.2794 56.9045 38.7065 176.4884 131 E 3.8985 8.1938 120.4586 58.9982 29.6931 178.5887 132 F 4.0320 8.1599 120.6204 61.2821 39.5222 176.7844 133 E 3.9741 8.7971 118.6596 59.5203 29.3121 179.2203 134 R 3.8591 8.1430 118.6579 59.7023 29.8952 178.1755 135 E 3.8019 7.8568 117.4406 58.9168 29.6025 178.2363 136 L 3.9847 7.5684 119.8822 57.8833 42.3154 178.1646 137 E 4.3529 7.9798 116.1663 57.2648 29.9398 175.8857 138 Y 4.2835 8.1994 121.9075 57.0954 38.2111 175.3481 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 3 K 8.17 4.28 0.00 0.79 1.17 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.19 7.81 4 K 8.80 4.54 0.00 1.85 1.70 0.00 1.51 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.60 7.81 5 V 9.49 4.86 1.99 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 0.26 0.00 0.00 1.07 0.00 0.00 6 A 8.70 4.96 0.13 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 0.00 0.00 7 I 8.48 4.77 1.93 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 0.68 0.97 0.00 0.00 8 Y 8.83 5.39 0.00 2.98 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 9 T 8.27 4.82 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 1.21 0.00 0.00 10 R 8.50 5.12 0.00 1.77 1.90 0.00 3.54 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 11 V 8.56 4.77 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 0.78 0.00 0.00 0.99 0.00 0.00 12 S 8.84 5.28 0.00 3.90 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 13 T 8.22 4.07 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 1.12 0.00 0.00 *20 G 7.56 3.85 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 0.00 0.00 0.00 21 F 8.50 5.22 0.00 3.01 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 22 S 8.57 4.44 0.00 4.07 4.05 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 23 I 8.27 3.67 1.87 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 1.66 0.84 0.90 0.00 0.00 24 D 8.12 4.33 0.00 2.74 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 25 E 8.05 3.75 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 26 Q 8.12 3.78 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 27 I 7.85 3.67 1.97 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 1.39 0.71 0.90 0.00 0.00 28 D 8.13 4.25 0.00 2.88 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 29 R 8.09 3.86 0.00 1.56 1.85 0.00 2.21 0.00 0.00 2.71 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 30 L 8.00 4.29 0.00 1.83 1.84 1.09 0.99 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 31 T 8.20 3.93 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 1.24 0.00 0.00 32 K 8.05 3.94 0.00 1.98 1.86 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.63 7.81 33 Y 8.08 4.07 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.15 3.82 1.56 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 35 E 8.28 3.84 0.00 1.98 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 2.31 2.41 0.00 36 A 7.72 3.91 1.24 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 0.00 0.00 37 M 6.99 3.70 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.37 0.00 38 G 7.27 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.79 4.88 0.00 3.30 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 40 Q 8.65 4.71 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 41 V 8.44 4.49 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 0.78 0.00 0.00 0.96 0.00 0.00 42 S 9.31 4.46 0.00 3.99 4.18 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 43 D 7.74 4.55 0.00 2.77 2.31 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 44 T 8.31 5.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 45 Y 9.23 4.56 0.00 3.22 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 46 T 8.63 4.69 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 47 D 8.98 4.84 0.00 2.59 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 48 A 8.53 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 49 G 9.62 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 0.00 0.00 0.00 50 F 7.98 4.85 0.00 3.19 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 51 S 8.85 4.40 0.00 3.89 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 52 G 8.63 4.02 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 0.00 0.00 0.00 53 A 8.13 3.99 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 54 K 7.60 4.74 0.00 1.72 1.68 0.00 1.76 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.43 7.81 55 L 8.31 4.31 0.00 1.60 1.70 0.97 0.87 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 56 E 7.90 4.30 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 57 R 7.79 4.41 0.00 1.84 1.40 0.00 3.28 0.00 0.00 3.74 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 58 P 0.00 4.17 0.00 2.05 2.08 0.00 2.57 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 59 A 8.29 4.20 1.61 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 60 M 8.34 3.90 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 61 Q 8.25 3.99 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 62 R 8.22 3.97 0.00 2.13 2.37 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 63 L 7.82 3.40 0.00 0.64 1.76 0.41 0.62 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 64 I 7.94 3.93 1.90 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 1.54 1.11 0.94 0.00 0.00 65 N 8.34 4.55 0.00 2.92 2.92 0.00 0.00 7.10 8.30 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 66 D 8.21 4.62 0.00 3.20 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 67 I 7.37 3.37 1.92 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 1.85 1.17 0.86 0.00 0.00 68 E 8.19 3.96 0.00 2.09 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 0.00 2.49 2.40 0.00 69 N 7.78 4.37 0.00 2.95 2.88 0.00 0.00 7.05 7.62 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 70 K 7.59 3.56 0.00 1.85 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.25 7.81 71 A 7.80 4.35 1.35 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 72 F 6.94 5.12 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 73 D 9.47 5.00 0.00 2.67 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 74 T 7.81 5.01 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 0.98 0.00 0.00 75 V 8.75 4.40 1.61 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 0.99 0.00 0.00 0.08 0.00 0.00 76 L 9.16 5.04 0.00 1.72 1.64 1.16 1.20 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 77 V 8.52 5.04 2.31 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 1.15 0.00 0.00 1.19 0.00 0.00 78 Y 8.78 4.26 0.00 3.16 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 79 K 7.91 4.71 0.00 1.83 1.63 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.22 7.81 80 L 9.51 4.20 0.00 1.97 1.76 1.19 1.28 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 81 D 7.94 5.39 0.00 2.87 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 82 R 8.26 4.20 0.00 2.15 2.25 0.00 3.47 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 83 L 8.00 4.18 0.00 1.83 1.93 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.65 4.71 0.00 3.82 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 85 R 8.73 4.44 0.00 1.85 1.95 0.00 3.49 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 86 S 8.30 4.70 0.00 3.80 3.67 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 87 V 8.36 3.57 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 1.08 0.00 0.00 0.95 0.00 0.00 88 R 7.97 3.89 0.00 1.83 1.94 0.00 3.32 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 89 D 8.01 4.38 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.06 3.72 4.37 0.00 0.00 0.00 0.00 0.00 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 91 L 8.04 3.86 0.00 1.81 1.65 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.88 4.26 0.00 2.98 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 93 L 8.10 3.13 0.00 1.43 0.74 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.54 3.18 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 1.04 0.00 0.00 0.19 0.00 0.00 95 K 8.05 3.85 0.00 1.70 1.86 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.40 7.81 96 D 7.83 4.43 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 6.85 3.83 1.56 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 1.03 0.00 0.00 0.16 0.00 0.00 98 F 7.98 4.56 0.00 3.13 3.14 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 99 T 8.28 3.89 4.47 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 1.22 0.00 0.00 100 K 7.57 3.77 0.00 1.57 1.87 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 101 N 7.51 4.77 0.00 2.96 2.77 0.00 0.00 7.07 7.49 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 0.00 102 K 8.14 3.87 0.00 1.87 1.91 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.52 7.81 103 I 7.90 4.64 2.06 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.81 0.00 0.00 104 D 8.94 4.77 0.00 2.52 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 0.00 105 F 9.30 5.35 0.00 3.31 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 0.00 106 I 8.03 4.68 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 1.02 0.00 0.00 107 S 8.52 4.65 0.00 3.78 3.64 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 0.00 108 L 8.62 3.65 0.00 1.52 1.57 -0.03 0.09 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 0.00 109 N 7.72 4.06 0.00 1.92 2.47 0.00 0.00 7.31 8.44 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 0.00 110 E 7.93 4.03 0.00 1.87 1.80 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 2.22 2.26 0.00 111 S 7.16 3.54 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.55 4.31 1.86 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.61 1.17 0.00 0.00 113 D 8.46 5.04 0.00 2.67 2.54 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 0.00 114 T 8.88 4.13 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 1.48 0.00 0.00 115 S 8.72 4.36 0.00 3.97 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 0.00 116 S 8.07 4.62 0.00 4.10 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 0.00 117 A 8.45 4.03 1.36 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 0.00 0.00 118 M 8.12 4.27 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 119 G 8.42 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 0.00 0.00 0.00 120 S 8.30 4.13 0.00 4.10 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 0.00 121 L 8.04 3.96 0.00 2.03 1.72 0.95 0.67 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 0.00 122 F 8.56 4.21 0.00 3.17 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.39 0.00 1.97 1.74 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.64 3.82 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 125 I 7.97 3.67 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.91 0.00 0.00 126 L 7.80 3.82 0.00 1.16 1.35 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.80 3.96 0.00 3.92 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 0.00 128 A 7.91 3.99 1.35 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 0.00 129 I 8.23 3.70 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.94 0.00 0.00 130 N 8.43 4.47 0.00 2.89 2.83 0.00 0.00 6.89 8.14 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 0.00 131 E 8.19 3.90 0.00 2.26 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 0.00 2.28 2.28 0.00 132 F 8.16 4.03 0.00 3.24 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 0.00 133 E 8.80 3.97 0.00 2.22 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 2.46 2.63 0.00 134 R 8.14 3.86 0.00 1.84 2.05 0.00 2.98 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 135 E 7.86 3.80 0.00 1.93 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 2.22 2.26 0.00 136 L 7.57 3.98 0.00 1.35 1.75 0.85 1.06 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 0.00 137 E 7.98 4.35 0.00 2.03 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 2.30 2.50 0.00 138 Y 8.20 4.28 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.