NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3239 8.0176 110.9423 61.3728 70.2268 174.4359 6 T 3.5830 8.4865 114.5927 64.8480 68.4593 174.8357 7 L 3.6250 8.2592 122.6884 57.2472 41.7093 180.1640 8 D 4.8316 7.7225 118.7130 56.3717 41.1370 178.3345 9 R 4.2659 7.8862 117.9562 58.0173 30.1803 177.8208 10 Y 4.0419 7.4738 119.8571 60.9074 38.7096 178.3695 11 F 3.8437 7.9475 117.6943 60.6726 39.2210 177.3854 12 D 4.5331 8.3017 118.0436 57.3797 40.6989 178.6664 13 L 4.0435 7.9950 119.5424 57.5215 41.3411 179.2755 14 F 3.8475 7.8732 119.7853 61.4718 39.5406 176.6449 15 D 4.7729 8.4509 118.2774 57.5023 40.8016 178.7388 16 A 4.0091 8.2731 121.0352 54.9340 18.1947 179.7216 17 S 4.3134 8.0253 113.6664 61.2243 62.5468 176.5925 18 R 2.5100 6.8198 121.5468 57.8930 29.7060 176.8915 19 T 4.3768 7.2546 104.4970 60.6845 69.8641 173.6696 20 D 4.5526 7.5110 121.6714 51.9950 44.3159 175.0887 21 E 3.9897 8.8370 127.7159 59.1833 29.7372 178.7902 22 K 3.9927 8.5968 118.8093 59.2340 32.1019 179.1093 23 A 4.0066 8.1389 120.6435 55.0135 18.3024 179.1415 24 F 4.1687 8.0752 120.4122 61.0776 39.4525 177.1105 25 D 4.4226 8.5740 118.6046 57.4794 40.3773 178.5849 26 D 4.3389 8.0658 118.4686 57.1043 41.1557 178.0771 27 L 4.1663 8.3273 121.2138 58.5773 42.1830 179.1205 28 I 3.8345 7.8272 119.8902 64.4251 36.7925 178.4297 29 S 4.2944 7.8719 113.8532 60.8234 62.9569 176.0010 30 L 3.9734 8.0806 122.4148 55.4930 41.4568 176.3440 31 F 4.8363 7.2237 117.1985 55.3052 41.0434 175.7109 32 S 4.3717 8.6141 118.7965 57.9697 62.8604 175.1394 33 D 4.5146 8.6947 125.0333 56.9017 40.7728 177.5869 34 E 4.5306 8.1301 117.7112 55.8880 29.6843 175.7539 35 I 3.9194 7.5901 120.7398 62.4643 39.0889 174.4933 36 T 5.1755 9.0640 126.2247 61.8292 70.7465 173.5503 37 F 5.2415 8.7977 120.8780 54.9239 42.0025 173.7862 38 V 4.7665 8.5605 119.9284 61.1506 34.6201 174.2142 39 L 4.9106 8.5089 129.1829 54.1157 45.5462 177.1658 *40 N 4.2609 9.9985 120.3898 53.3366 34.9786 172.1336 41 G 3.9980 8.4828 104.6968 46.5646 0.0000 173.9214 42 Q 4.5257 8.1433 120.0004 53.7643 30.5332 174.1711 43 E 4.7183 8.5117 123.9734 55.5220 30.8105 175.1235 44 Q 4.5228 8.4217 124.5111 54.2956 33.3274 173.8620 45 H 5.1899 8.5049 116.4363 55.4909 32.8389 174.6042 46 G 4.2091 9.5113 107.8590 46.5900 0.0000 174.5020 47 I 3.8184 8.3073 119.2947 63.7612 38.0002 178.1387 48 D 4.3886 8.2176 119.3562 57.3792 40.8032 178.3567 49 A 4.3236 8.1657 120.7589 54.8587 18.4466 179.2692 50 W 3.4854 8.2539 126.7883 60.4454 30.7246 178.2226 51 K 3.7757 8.3404 118.7012 59.7027 31.2852 179.2999 52 Q 3.9690 7.9630 117.0622 58.7309 28.6670 178.3779 53 F 4.1983 7.8927 120.7119 61.2466 39.6276 176.9503 54 V 2.6642 6.9297 117.6693 65.4515 31.3094 179.4211 55 R 4.0941 7.6620 117.0476 56.1903 29.6839 178.9319 *57 V 3.7325 7.8184 120.1487 62.8460 33.0239 177.1075 58 F 4.7112 7.0399 116.6443 59.5241 39.1470 176.8225 59 T 4.1310 7.6806 110.0301 63.8892 69.2050 176.2012 60 A 4.1564 7.9171 124.3928 53.8736 18.7965 176.5324 61 N 5.5693 7.6585 112.1144 51.6150 42.1346 174.7882 62 Q 4.2850 8.9899 121.2507 58.8240 29.5964 175.8788 63 D 4.7511 7.9601 116.0787 53.4994 44.6438 173.9847 64 I 4.9999 8.1559 122.6935 59.8078 41.4851 173.6247 65 K 4.8517 9.1142 128.8354 55.4283 35.7108 174.9436 66 H 5.6806 9.9887 124.8599 53.1609 32.2647 172.9183 *68 Y 4.3805 8.1973 115.0632 57.1105 38.8030 176.0356 69 A 3.8463 8.6311 125.5776 54.1255 18.7712 177.5679 70 G 4.1597 6.9855 105.7767 44.1547 0.0000 172.3553 71 W 4.8022 8.7143 124.8783 56.5894 29.5712 176.0995 72 V 4.7480 8.9907 118.1187 58.5258 35.0205 173.9968 73 P 4.6236 0.0000 0.0000 62.7953 31.7618 176.9415 74 S 4.5140 8.9643 122.4649 58.8073 63.5527 175.1960 75 E 4.1760 8.8326 118.6873 58.6233 29.6285 178.2852 76 T 4.6377 7.2948 106.4734 60.5710 72.0126 174.3351 77 G 3.8277 8.6492 110.8347 45.2370 0.0000 173.1881 78 D 4.9380 8.4120 117.3344 53.3118 40.3516 176.8189 79 T 5.0078 7.7241 112.8124 60.9605 71.9829 172.9664 *81 E 4.9686 8.5917 117.7241 57.1996 31.6761 174.9884 82 T 4.8952 8.1545 113.9887 60.3284 71.3171 173.3701 83 R 4.4799 8.4415 126.1648 56.0418 31.7754 175.4003 84 W 5.5365 8.4906 117.9956 54.9390 32.3109 173.5585 85 A 5.3154 8.7353 121.3305 50.3671 22.0949 175.0906 86 V 4.8223 9.3880 122.2211 61.1096 35.2271 174.0984 87 C 5.1430 8.8138 121.0528 56.6798 33.2633 172.9693 88 G 3.9967 7.8319 106.8507 44.9897 0.0000 171.3567 89 K 5.0969 8.7256 120.9767 54.1670 34.7163 175.6983 90 S 4.8774 9.5883 122.8506 58.0584 63.2069 174.7125 91 A 3.9835 8.8155 127.6467 55.3045 18.1035 178.5559 92 D 4.5710 7.9574 112.6869 53.7125 39.8409 176.5062 93 G 4.1009 8.3200 109.2901 45.5428 0.0000 174.6071 94 S 4.4430 8.4098 113.9370 58.6000 64.2124 174.0325 95 V 5.0788 8.1834 113.8260 60.1003 34.7864 174.4264 96 F 5.1024 8.1981 116.0616 56.4705 41.4542 172.8090 97 T 5.3104 8.5187 108.6837 60.5034 72.1832 172.6545 98 Q 4.8411 9.1270 121.6764 55.2398 33.1107 172.7351 99 D 5.1033 8.4083 123.9166 52.6846 44.9790 176.1520 100 G 2.8473 5.7994 106.5264 45.2372 0.0000 171.8185 101 T 4.8411 7.5633 114.8550 61.7717 72.6537 173.0641 102 D 5.7195 9.2505 124.9333 52.8586 43.9767 175.3648 103 I 5.1807 9.0107 122.7650 59.6421 39.9241 174.5290 104 A 5.4155 8.9945 127.5305 50.0823 23.0289 174.2552 105 R 4.6463 8.9273 119.4973 54.4947 33.3242 174.3216 106 L 5.0408 8.3508 125.3320 53.0260 44.0775 176.3372 107 N 4.6245 8.7762 120.3888 51.6008 38.8609 175.7626 108 A 3.9199 8.4009 120.1260 55.0778 18.3584 178.0630 109 D 4.4934 8.1841 113.3006 54.4988 41.2192 177.3244 110 G 3.8486 8.2930 108.1796 45.1105 0.0000 173.9895 111 K 4.2321 7.9947 119.3375 55.2942 33.2314 176.0448 112 I 4.1456 8.0312 123.7570 61.2637 37.3715 176.8277 113 V 4.2950 8.8596 126.2152 61.6685 34.2413 174.8779 114 Y 5.1660 7.7026 122.2926 55.8640 42.5863 173.5830 115 L 4.8286 8.4151 127.9926 53.7252 45.5725 174.1593 116 A 5.0264 9.0434 129.4420 50.1343 21.4724 174.3449 117 N 5.6520 8.8713 122.1644 51.6988 40.4358 175.0658 118 V 4.4876 9.1991 126.8183 60.0114 32.5565 172.7136 119 P 4.8716 0.0000 0.0000 61.8984 32.1238 175.7954 120 D 4.3188 8.8375 122.6570 54.4318 41.9912 176.1367 121 D 4.8184 8.3990 122.3473 53.5159 39.7226 176.3657 122 T 4.1596 7.7189 112.6623 61.3653 69.1056 175.6855 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 5 T 8.02 4.32 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 1.28 0.00 0.00 6 T 8.49 3.58 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 1.12 0.00 0.00 7 L 8.26 3.62 0.00 0.98 0.13 -0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.72 4.83 0.00 2.93 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 9 R 7.89 4.27 0.00 2.05 2.00 0.00 3.15 0.00 0.00 3.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 10 Y 7.47 4.04 0.00 2.83 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 11 F 7.95 3.84 0.00 3.13 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 12 D 8.30 4.53 0.00 2.81 2.81 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 0.00 0.00 0.00 13 L 7.99 4.04 0.00 1.94 1.72 0.94 1.02 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 14 F 7.87 3.85 0.00 2.66 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 15 D 8.45 4.77 0.00 2.88 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 16 A 8.27 4.01 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 17 S 8.03 4.31 0.00 4.06 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 18 R 6.82 2.51 0.00 0.67 1.59 0.00 3.21 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.22 0.00 19 T 7.25 4.38 4.16 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 1.09 0.00 0.00 20 D 7.51 4.55 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.84 3.99 0.00 2.01 1.91 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 2.40 2.36 0.00 22 K 8.60 3.99 0.00 2.01 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 23 A 8.14 4.01 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 24 F 8.08 4.17 0.00 3.12 3.18 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 25 D 8.57 4.42 0.00 2.91 2.76 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 26 D 8.07 4.34 0.00 2.82 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 27 L 8.33 4.17 0.00 1.77 1.78 1.10 0.80 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 28 I 7.83 3.83 1.92 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 0.94 0.00 0.00 29 S 7.87 4.29 0.00 4.05 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 30 L 8.08 3.97 0.00 1.28 1.34 0.99 0.93 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 31 F 7.22 4.84 0.00 3.02 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 32 S 8.61 4.37 0.00 3.82 3.83 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 33 D 8.69 4.51 0.00 2.85 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 34 E 8.13 4.53 0.00 1.98 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 2.31 2.39 0.00 35 I 7.59 3.92 2.04 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 0.86 1.50 0.96 0.00 0.00 36 T 9.06 5.18 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 1.24 0.00 0.00 37 F 8.80 5.24 0.00 3.02 2.84 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 38 V 8.56 4.77 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 0.97 0.00 0.00 0.85 0.00 0.00 39 L 8.51 4.91 0.00 1.53 1.47 0.39 0.08 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 *40 N 10.00 4.26 0.00 2.87 2.73 0.00 0.00 6.88 7.51 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 41 G 8.48 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 0.00 0.00 0.00 42 Q 8.14 4.53 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 43 E 8.51 4.72 0.00 1.92 1.76 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 1.98 2.20 0.00 44 Q 8.42 4.52 0.00 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 45 H 8.50 5.19 0.00 2.99 3.17 0.00 5.68 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 46 G 9.51 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 0.00 0.00 0.00 0.00 47 I 8.31 3.82 1.92 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 1.69 1.53 0.97 0.00 0.00 48 D 8.22 4.39 0.00 2.88 2.76 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 49 A 8.17 4.32 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 0.00 0.00 0.00 0.00 0.00 50 W 8.25 3.49 0.00 2.92 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 51 K 8.34 3.78 0.00 2.03 2.00 0.00 1.91 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.70 7.81 52 Q 7.96 3.97 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 53 F 7.89 4.20 0.00 3.01 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 54 V 6.93 2.66 1.66 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 0.51 0.00 0.00 -0.15 0.00 0.00 55 R 7.66 4.09 0.00 1.93 1.83 0.00 3.25 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 *57 V 7.82 3.73 1.19 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 0.80 0.00 0.00 0.24 0.00 0.00 58 F 7.04 4.71 0.00 2.98 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 59 T 7.68 4.13 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 60 A 7.92 4.16 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 61 N 7.66 5.57 0.00 2.91 3.12 0.00 0.00 7.03 7.50 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 62 Q 8.99 4.28 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 63 D 7.96 4.75 0.00 2.77 2.44 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 64 I 8.16 5.00 2.06 0.00 0.00 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 1.25 0.97 1.34 0.00 0.00 65 K 9.11 4.85 0.00 1.87 1.55 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.48 7.81 66 H 9.99 5.68 0.00 3.11 3.27 0.00 5.90 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *68 Y 8.20 4.38 0.00 2.80 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 0.00 0.00 0.00 69 A 8.63 3.85 1.20 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 0.00 0.00 0.00 70 G 6.99 4.16 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 0.00 0.00 0.00 71 W 8.71 4.80 0.00 3.31 3.25 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 72 V 8.99 4.75 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 0.75 0.00 0.00 1.03 0.00 0.00 73 P 0.00 4.62 0.00 1.97 2.02 0.00 3.74 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 2.06 2.16 0.00 74 S 8.96 4.51 0.00 4.04 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 75 E 8.83 4.18 0.00 1.98 1.87 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 2.23 1.87 0.00 76 T 7.29 4.64 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 77 G 8.65 3.83 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 0.00 0.00 0.00 78 D 8.41 4.94 0.00 2.75 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 79 T 7.72 5.01 4.44 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 1.22 0.00 0.00 *81 E 8.59 4.97 0.00 2.31 2.33 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 2.36 2.38 0.00 82 T 8.15 4.90 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 0.05 0.00 0.00 83 R 8.44 4.48 0.00 1.66 1.66 0.00 3.10 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 84 W 8.49 5.54 0.00 3.20 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 85 A 8.74 5.32 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 86 V 9.39 4.82 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 1.00 0.00 0.00 0.67 0.00 0.00 87 C 8.81 5.14 0.00 2.82 2.86 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 88 G 7.83 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 0.00 0.00 0.00 89 K 8.73 5.10 0.00 1.78 1.66 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.50 7.81 90 S 9.59 4.88 0.00 4.03 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 91 A 8.82 3.98 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 92 D 7.96 4.57 0.00 2.83 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 93 G 8.32 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 94 S 8.41 4.44 0.00 3.99 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 95 V 8.18 5.08 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 0.76 0.00 0.00 0.94 0.00 0.00 96 F 8.20 5.10 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 97 T 8.52 5.31 4.35 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 1.20 0.00 0.00 98 Q 9.13 4.84 0.00 2.43 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 99 D 8.41 5.10 0.00 2.52 2.25 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 0.00 100 G 5.80 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 0.00 0.00 0.00 101 T 7.56 4.84 4.22 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 1.28 0.00 0.00 102 D 9.25 5.72 0.00 2.77 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 0.00 103 I 9.01 5.18 2.12 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 1.29 0.85 1.11 0.00 0.00 104 A 8.99 5.42 0.97 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 0.00 105 R 8.93 4.65 0.00 1.88 1.80 0.00 3.02 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 106 L 8.35 5.04 0.00 1.45 1.43 0.75 0.80 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 0.00 107 N 8.78 4.62 0.00 2.90 2.95 0.00 0.00 6.84 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 0.00 108 A 8.40 3.92 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 0.00 109 D 8.18 4.49 0.00 2.78 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 0.00 110 G 8.29 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 0.00 111 K 7.99 4.23 0.00 1.85 1.69 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.50 7.81 112 I 8.03 4.15 0.66 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.19 0.43 0.00 0.00 113 V 8.86 4.29 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 0.75 0.00 0.00 0.96 0.00 0.00 114 Y 7.70 5.17 0.00 3.05 2.76 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 0.00 115 L 8.42 4.83 0.00 1.51 1.24 0.80 0.25 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 0.00 116 A 9.04 5.03 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 0.00 117 N 8.87 5.65 0.00 2.82 2.94 0.00 0.00 6.85 7.23 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 0.00 118 V 9.20 4.49 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 0.97 0.00 0.00 1.05 0.00 0.00 119 P 0.00 4.87 0.00 2.08 2.18 0.00 3.87 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 120 D 8.84 4.32 0.00 2.48 2.52 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 0.00 121 D 8.40 4.82 0.00 2.61 2.59 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 0.00 122 T 7.72 4.16 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.