NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0468 8.1849 122.4257 54.4894 43.9142 177.5188 3 W 4.7498 7.3116 117.2991 56.3855 29.5141 174.3799 4 K 4.5916 10.0619 121.7910 56.1130 34.4900 176.2954 5 K 4.6867 8.1204 117.7190 54.7021 34.1396 175.5659 6 T 4.3958 8.1463 111.9735 60.5314 70.3392 173.8887 7 F 4.7425 7.2528 117.1810 55.1997 40.4198 173.5366 8 T 4.6801 8.0061 111.1511 59.2178 72.7671 174.6018 9 L 3.9836 8.6738 122.2152 58.4403 41.8175 179.5763 10 E 3.9329 8.1812 118.3293 59.3792 29.6134 178.4791 11 N 4.4042 8.1002 116.5038 55.9730 38.6239 177.4459 12 L 3.8650 8.1901 120.7723 58.0005 41.5247 179.3889 13 N 4.3504 8.0903 115.0851 56.2082 38.8201 177.0089 14 Q 4.0660 7.9899 120.7828 59.0078 28.9351 177.8806 15 L 3.9543 7.6335 120.4271 58.2309 42.2197 178.1130 16 C 4.3550 7.6900 113.8445 59.7681 28.5273 174.1537 17 S 4.2162 7.0463 115.2152 58.6544 63.4130 172.8616 18 N 4.1180 8.6383 116.6645 54.1070 37.0228 173.2338 19 S 4.5723 7.9317 110.8547 56.0350 67.9263 173.2252 20 A 3.9585 8.6053 122.2782 55.3785 17.9247 179.7455 21 V 3.4951 7.6224 116.5869 66.3477 31.6746 178.5020 22 S 4.1430 7.9744 113.4526 61.6858 62.6964 175.5394 23 H 4.1687 8.3395 121.1644 58.4254 29.5829 176.1594 24 L 4.4659 7.5763 117.7376 53.8058 41.8006 177.3060 25 G 3.8989 7.9193 106.9560 45.5979 0.0000 174.0255 26 I 4.1553 7.4483 120.5169 61.1192 37.8732 175.2349 27 E 4.7885 9.1725 127.4529 54.2263 32.7366 174.6307 28 I 4.3581 9.0216 129.1144 61.4724 37.0258 175.8990 29 S 4.8077 9.0366 121.3216 58.8731 65.3520 174.0461 30 A 4.7814 7.9355 119.0273 51.4877 22.0878 175.3286 31 F 4.6933 8.2712 113.5271 55.2606 40.8925 174.5037 32 G 3.6991 7.2414 111.0268 44.1726 0.0000 173.3172 33 E 4.2015 8.8450 118.0590 59.3114 29.6359 177.8104 34 D 4.4094 7.4575 113.9795 51.8913 40.2681 174.5617 35 W 5.8686 7.7430 114.6707 57.0233 31.6747 172.7685 36 I 5.2943 8.9644 119.8420 59.7973 41.4678 173.3315 37 E 5.5459 10.1404 126.4020 54.6667 33.6700 174.7386 38 A 5.2609 9.0120 123.2419 50.7117 23.0623 175.6842 39 T 5.5442 8.5616 111.0216 58.7560 72.2331 171.2539 *41 P 4.3431 0.0000 0.0000 62.9521 32.8360 177.1084 42 V 4.2379 8.5119 123.4992 62.1185 31.8901 174.0579 43 D 4.7447 8.7677 128.5885 52.6961 42.1045 175.3219 44 H 4.3269 9.1247 112.9452 59.0087 28.3662 176.6861 45 R 3.9402 8.0052 118.7689 58.1130 30.7002 176.6792 46 T 4.4771 7.9462 108.2129 60.2106 68.6662 172.3956 *48 Q 4.4091 7.4658 119.8733 55.9832 30.1460 174.6855 49 P 4.2349 0.0000 0.0000 63.8282 30.8502 176.9108 50 F 5.1141 7.9652 117.1092 57.3725 39.6691 176.1312 51 G 4.0030 8.8197 106.9167 45.4548 0.0000 174.0954 52 V 4.6951 7.2640 111.0097 58.4829 35.0946 175.1459 53 L 3.8370 8.8375 125.3219 56.0177 42.6209 176.3283 54 H 4.0710 9.3510 127.2601 56.1880 30.1889 176.1485 55 G 3.6163 9.0067 113.6139 47.9712 0.0000 175.2747 56 G 3.7326 8.1954 107.3800 47.6314 0.0000 175.8271 57 V 3.6877 7.9222 120.4241 65.5923 31.4738 178.2553 58 S 4.1429 8.0476 114.8368 61.6660 62.6208 176.6529 59 V 3.6244 7.7763 120.5690 65.7793 31.2319 177.7059 60 A 3.9674 7.9195 120.6366 55.2267 18.1448 179.4066 61 L 3.8689 7.8756 118.3489 58.1112 42.2004 179.0565 62 A 3.9619 8.0162 120.7631 55.2758 18.4077 179.2883 63 E 3.9054 8.4945 118.1424 59.4694 29.6570 179.1075 64 T 3.7738 7.8446 115.9123 66.7939 68.5459 176.4563 65 I 3.8197 7.7841 120.4283 63.5778 37.9011 178.1445 66 G 3.2349 8.0600 106.9400 47.5402 0.0000 176.0631 67 S 3.9216 7.9253 117.5636 61.0512 62.8694 176.1394 68 L 3.6617 7.5591 122.7476 58.2115 41.4868 178.6240 69 A 3.8559 7.6911 120.5414 55.3159 17.9145 179.8555 70 G 3.7367 7.1858 102.6154 48.0494 0.0000 175.5401 71 S 4.2861 8.0117 115.4227 61.0381 62.3878 175.9811 72 L 4.1963 7.9912 121.0186 56.7970 41.0917 177.9377 73 C 4.7132 7.7300 115.2421 58.9935 28.7370 173.0391 74 L 4.9044 7.1029 120.6666 52.4243 44.4391 176.4218 75 E 4.2166 8.4859 120.6801 55.9206 30.1766 176.4440 76 E 4.0840 8.5860 120.4485 58.6550 30.0397 177.9627 77 G 4.0551 9.4796 111.0166 44.9711 0.0000 172.9503 78 K 5.0343 7.5006 117.4514 55.1462 35.8985 175.3772 79 T 4.5997 8.2301 114.1983 61.7113 70.8481 172.1901 80 V 5.1033 8.3188 113.1480 59.7172 35.8033 175.4901 81 V 4.3981 8.5195 121.0226 60.9144 34.7936 174.7964 82 G 3.8620 8.8978 115.5138 46.9017 0.0000 172.5701 83 L 4.7671 8.8806 125.7208 56.2415 43.1121 176.4334 84 D 4.7442 7.7311 115.5252 52.7547 42.4885 173.8033 85 I 5.2078 8.1018 118.6369 59.8394 41.3642 173.2853 86 N 5.2761 9.0672 123.5944 51.7022 41.1476 172.8125 87 A 5.1388 8.3228 119.2084 51.1174 22.5012 175.2049 88 N 4.9238 9.1050 118.0738 51.7330 41.6817 173.5106 89 H 5.1692 8.6925 120.3872 55.0378 29.3685 174.8840 90 L 4.6959 8.8407 123.7327 55.7163 43.3278 177.0262 91 R 4.5202 7.5270 111.3652 54.5572 31.5801 172.7024 92 P 4.4858 0.0000 0.0000 62.3262 32.3813 176.1221 93 V 4.4197 8.1722 119.8646 61.3417 33.9107 176.0998 94 R 4.8758 8.6447 124.9677 56.6430 31.9304 175.6770 95 S 4.4955 7.8151 110.0188 57.9611 66.0630 174.7784 96 G 3.8843 8.9795 107.5482 45.2798 0.0000 172.1192 97 K 4.8194 7.9110 117.3372 55.0381 35.2257 175.9983 98 V 4.4931 8.0228 113.8451 60.7125 34.4404 174.8474 99 T 5.1160 8.7903 118.2193 61.9047 72.2326 172.7934 100 A 5.1768 9.2932 128.8256 50.1888 21.6868 175.1396 101 R 5.1800 9.0902 123.3177 54.4950 32.7859 174.2825 102 A 5.5834 9.2110 128.8328 50.7937 21.1621 175.7671 103 T 5.1941 9.3492 113.0617 59.0840 72.3622 171.7411 104 P 3.2953 0.0000 0.0000 62.8823 31.6046 175.6970 105 I 4.1338 8.0698 123.7846 62.8732 38.8686 176.0577 106 N 4.6186 7.4824 119.4895 52.4300 42.3968 173.1734 107 L 4.6104 8.5478 126.9006 53.1607 42.2682 176.4448 108 G 3.9452 8.7815 113.9779 43.6908 0.0000 172.1439 109 R 4.0401 8.6042 118.9733 58.7461 30.3109 176.8155 110 N 4.9242 8.1563 113.2689 53.0923 40.9997 174.1030 111 I 5.1333 7.5582 118.0153 59.4390 41.1932 174.5514 112 Q 5.1516 9.2427 125.0184 54.0692 32.3703 174.6246 113 V 4.9537 8.7711 122.3376 60.9867 34.4465 174.3112 114 W 5.0061 9.4579 127.5315 54.8961 32.8595 174.0698 115 Q 5.0520 9.2658 124.8308 54.8057 30.8424 174.2559 116 I 5.1175 8.7999 126.4924 59.7493 40.6411 173.9043 117 D 5.3639 9.0223 127.1648 52.5792 43.5425 175.3211 118 I 5.0297 8.8179 124.7200 59.4659 39.7008 174.8930 119 R 5.2205 9.0335 123.8582 54.3286 32.9928 175.7921 120 T 4.6306 8.7483 112.1978 60.7945 69.5335 175.1134 121 E 4.1437 8.5981 118.0969 58.1423 29.0231 177.6765 122 E 4.3854 8.1176 119.0319 55.9635 29.6992 176.4176 123 N 4.3973 8.3183 115.3135 54.0206 36.7403 174.0385 124 K 4.2872 7.2595 118.6131 54.9054 33.1339 176.2082 125 L 4.3893 8.5208 125.7177 55.6016 42.3698 175.8869 126 C 4.7457 9.2200 121.3126 58.7887 32.1254 173.1560 127 C 5.2172 7.7885 119.0944 58.2244 34.8623 172.7983 128 V 4.9809 8.7556 118.3452 59.7695 35.1289 174.6080 129 S 5.1235 8.9336 117.8412 56.7822 66.6738 172.4288 130 R 5.1325 9.0283 124.2630 54.4457 33.4258 173.5353 131 L 5.3047 9.2748 127.8880 53.5898 45.4197 174.8198 132 T 5.1296 8.9732 122.6702 61.9061 70.8890 173.3648 133 L 5.2508 9.3185 126.3268 52.9818 45.6781 175.2524 134 S 5.0889 8.8038 116.7517 56.9057 64.4534 173.0072 135 V 4.6720 8.7034 128.0720 62.1189 32.2075 175.1059 136 I 4.6549 8.9396 121.3903 59.0496 41.4441 173.9529 137 N 4.8527 8.5119 122.5964 52.2402 39.4714 175.7570 138 L 4.1583 9.0826 127.9146 57.2618 41.8804 178.2280 139 L 4.3133 7.9806 116.8475 55.0854 41.7202 176.9946 140 E 4.0912 7.8863 119.9796 56.3112 29.9532 177.9382 141 H 3.9469 8.6432 120.1465 58.9532 29.0824 176.6105 142 H 4.2937 8.1622 115.3105 56.4325 29.1392 174.9008 143 H 4.4436 7.4293 120.3572 56.3170 29.2731 174.2986 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 L 8.18 4.05 0.00 1.16 0.42 0.71 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.31 4.75 0.00 3.52 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 4 K 10.06 4.59 0.00 1.87 1.89 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.74 7.81 5 K 8.12 4.69 0.00 1.83 1.78 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.60 7.81 6 T 8.15 4.40 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 1.20 0.00 0.00 7 F 7.25 4.74 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 8 T 8.01 4.68 4.26 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 1.17 0.00 0.00 9 L 8.67 3.98 0.00 1.85 1.85 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.18 3.93 0.00 2.04 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 2.38 2.41 0.00 11 N 8.10 4.40 0.00 2.98 2.83 0.00 0.00 7.01 6.73 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 12 L 8.19 3.86 0.00 1.72 1.56 0.27 0.51 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 13 N 8.09 4.35 0.00 2.74 2.87 0.00 0.00 7.05 7.37 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 14 Q 7.99 4.07 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 15 L 7.63 3.95 0.00 1.77 1.78 0.88 0.96 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 16 C 7.69 4.35 0.00 3.07 2.92 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 17 S 7.05 4.22 0.00 4.00 3.86 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 18 N 8.64 4.12 0.00 2.81 2.86 0.00 0.00 6.79 7.63 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 19 S 7.93 4.57 0.00 4.03 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 20 A 8.61 3.96 1.33 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 0.00 0.00 0.00 21 V 7.62 3.50 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 1.01 0.00 0.00 0.90 0.00 0.00 22 S 7.97 4.14 0.00 4.08 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 23 H 8.34 4.17 0.00 3.23 3.55 0.00 5.93 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.58 4.47 0.00 1.64 1.64 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.92 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 26 I 7.45 4.16 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.94 0.00 0.00 27 E 9.17 4.79 0.00 1.98 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 2.20 2.37 0.00 28 I 9.02 4.36 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.83 0.00 0.00 29 S 9.04 4.81 0.00 3.85 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 30 A 7.94 4.78 1.52 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 31 F 8.27 4.69 0.00 3.06 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 32 G 7.24 3.70 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 0.00 0.00 0.00 33 E 8.85 4.20 0.00 2.00 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 2.36 2.33 0.00 34 D 7.46 4.41 0.00 2.69 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 35 W 7.74 5.87 0.00 3.66 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 36 I 8.96 5.29 1.90 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.84 0.98 0.00 0.00 37 E 10.14 5.55 0.00 2.36 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 2.49 2.68 0.00 38 A 9.01 5.26 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 39 T 8.56 5.54 4.26 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 1.25 0.00 0.00 *41 P 0.00 4.34 0.00 2.11 2.05 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.08 0.00 42 V 8.51 4.24 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 0.88 0.00 0.00 0.96 0.00 0.00 43 D 8.77 4.74 0.00 2.80 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 44 H 9.12 4.33 0.00 3.27 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.01 3.94 0.00 1.86 1.89 0.00 3.12 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 0.00 46 T 7.95 4.48 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 1.17 0.00 0.00 *48 Q 7.47 4.41 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.83 7.07 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 49 P 0.00 4.23 0.00 1.25 1.76 0.00 3.43 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 50 F 7.97 5.11 0.00 3.05 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 51 G 8.82 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 52 V 7.26 4.70 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 0.76 0.00 0.00 0.97 0.00 0.00 53 L 8.84 3.84 0.00 1.58 1.63 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.35 4.07 0.00 3.37 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.01 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.20 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.92 3.69 2.22 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 1.01 0.00 0.00 0.81 0.00 0.00 58 S 8.05 4.14 0.00 4.15 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 59 V 7.78 3.62 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 1.12 0.00 0.00 1.05 0.00 0.00 60 A 7.92 3.97 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 61 L 7.88 3.87 0.00 1.80 1.91 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.02 3.96 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 63 E 8.49 3.91 0.00 2.03 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 2.28 2.33 0.00 64 T 7.84 3.77 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 1.15 0.00 0.00 65 I 7.78 3.82 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 1.00 0.00 0.00 66 G 8.06 3.23 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 0.00 0.00 0.00 67 S 7.93 3.92 0.00 3.79 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 68 L 7.56 3.66 0.00 1.68 1.60 0.67 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.69 3.86 0.51 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 0.00 0.00 70 G 7.19 3.74 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 0.00 0.00 0.00 71 S 8.01 4.29 0.00 3.86 3.87 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 72 L 7.99 4.20 0.00 1.74 1.44 -0.18 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.73 4.71 0.00 3.40 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 74 L 7.10 4.90 0.00 1.80 1.59 1.01 0.98 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 75 E 8.49 4.22 0.00 2.05 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 2.44 2.37 0.00 76 E 8.59 4.08 0.00 1.96 1.92 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 2.34 2.29 0.00 77 G 9.48 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 78 K 7.50 5.03 0.00 1.90 1.70 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.35 7.81 79 T 8.23 4.60 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 1.21 0.00 0.00 80 V 8.32 5.10 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 0.78 0.00 0.00 0.93 0.00 0.00 81 V 8.52 4.40 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 0.94 0.00 0.00 82 G 8.90 3.86 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 0.00 0.00 0.00 83 L 8.88 4.77 0.00 1.70 1.74 0.94 1.16 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 84 D 7.73 4.74 0.00 2.77 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 0.00 0.00 0.00 0.00 85 I 8.10 5.21 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.99 0.93 0.00 0.00 86 N 9.07 5.28 0.00 2.84 2.84 0.00 0.00 6.74 6.96 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 87 A 8.32 5.14 1.15 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 0.00 0.00 88 N 9.10 4.92 0.00 2.67 2.69 0.00 0.00 7.06 7.93 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 89 H 8.69 5.17 0.00 3.03 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.84 4.70 0.00 1.60 1.71 0.93 0.91 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 91 R 7.53 4.52 0.00 1.87 1.85 0.00 3.04 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 92 P 0.00 4.49 0.00 2.07 2.02 0.00 3.62 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 2.03 2.07 0.00 93 V 8.17 4.42 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 0.87 0.00 0.00 0.94 0.00 0.00 94 R 8.64 4.88 0.00 1.82 1.95 0.00 3.28 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 95 S 7.82 4.50 0.00 3.93 3.80 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 96 G 8.98 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 0.00 0.00 0.00 97 K 7.91 4.82 0.00 1.79 1.76 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 98 V 8.02 4.49 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 0.72 0.00 0.00 0.94 0.00 0.00 99 T 8.79 5.12 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 1.30 0.00 0.00 100 A 9.29 5.18 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 0.00 101 R 9.09 5.18 0.00 2.00 1.78 0.00 2.87 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 102 A 9.21 5.58 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 0.00 103 T 9.35 5.19 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 1.41 0.00 0.00 104 P 0.00 3.30 0.00 1.51 0.86 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 105 I 8.07 4.13 1.92 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 1.07 0.56 0.85 0.00 0.00 106 N 7.48 4.62 0.00 2.64 2.52 0.00 0.00 7.02 6.66 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 0.00 107 L 8.55 4.61 0.00 1.46 1.57 0.79 0.70 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 0.00 108 G 8.78 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 0.00 0.00 0.00 109 R 8.60 4.04 0.00 1.78 1.98 0.00 3.20 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 1.62 1.66 0.00 110 N 8.16 4.92 0.00 2.77 2.81 0.00 0.00 6.88 7.63 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 0.00 111 I 7.56 5.13 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.14 0.93 0.00 0.00 112 Q 9.24 5.15 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 113 V 8.77 4.95 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 1.08 0.00 0.00 0.93 0.00 0.00 114 W 9.46 5.01 0.00 3.32 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 0.00 115 Q 9.27 5.05 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 116 I 8.80 5.12 1.93 0.00 0.00 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 1.43 0.50 1.00 0.00 0.00 117 D 9.02 5.36 0.00 2.61 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 0.00 118 I 8.82 5.03 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.93 0.00 0.00 119 R 9.03 5.22 0.00 1.89 1.97 0.00 2.73 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 120 T 8.75 4.63 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 1.27 0.00 0.00 121 E 8.60 4.14 0.00 2.17 2.39 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 2.36 2.33 0.00 122 E 8.12 4.39 0.00 2.04 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 0.00 2.27 2.27 0.00 123 N 8.32 4.40 0.00 2.81 2.91 0.00 0.00 6.90 7.29 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 0.00 124 K 7.26 4.29 0.00 1.98 1.71 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.51 7.81 125 L 8.52 4.39 0.00 1.58 1.60 0.92 0.91 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 0.00 126 C 9.22 4.75 0.00 3.16 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 0.00 127 C 7.79 5.22 0.00 3.04 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 0.00 128 V 8.76 4.98 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 0.76 0.00 0.00 0.93 0.00 0.00 129 S 8.93 5.12 0.00 3.88 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 0.00 130 R 9.03 5.13 0.00 1.93 1.73 0.00 3.09 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 131 L 9.27 5.30 0.00 1.81 1.60 1.04 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.97 5.13 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 1.25 0.00 0.00 133 L 9.32 5.25 0.00 1.65 1.60 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.80 5.09 0.00 3.91 3.73 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 0.00 0.00 0.00 0.00 135 V 8.70 4.67 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 0.86 0.00 0.00 1.00 0.00 0.00 136 I 8.94 4.65 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.93 0.00 0.00 137 N 8.51 4.85 0.00 2.80 2.74 0.00 0.00 7.04 6.66 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 0.00 138 L 9.08 4.16 0.00 1.77 1.73 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.98 4.31 0.00 1.79 1.66 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 140 E 7.89 4.09 0.00 2.04 1.85 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 2.31 2.49 0.00 141 H 8.64 3.95 0.00 3.04 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.16 4.29 0.00 3.11 3.37 0.00 6.05 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.43 4.44 0.00 3.13 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.91 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.