NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *11 W 4.6135 8.2744 121.3264 55.9018 30.2500 174.9019 12 V 4.1193 7.6552 116.5874 62.8320 32.1490 173.1814 13 D 4.5770 8.9152 120.3721 55.5903 41.7810 176.2236 14 K 4.5016 9.1688 123.5117 54.6017 36.5307 175.3022 15 N 4.6894 8.9427 124.7980 53.1808 39.6408 174.3060 16 C 4.7558 9.1322 124.4161 59.6265 29.1657 175.9106 17 I 3.8431 7.8322 121.8117 64.2435 37.4939 177.9598 18 G 3.6341 8.1035 105.9034 47.5423 0.0000 175.0121 19 W 4.2031 8.3797 130.7823 60.1881 30.7039 177.5477 20 A 3.7087 8.3809 120.4795 55.1982 17.4361 179.7553 21 K 4.2298 8.3647 116.5283 59.0141 31.9765 179.3426 22 E 3.8697 7.7102 118.7168 58.9684 29.3591 177.9740 23 Y 3.6705 7.7452 119.7713 60.6975 38.4638 178.2954 24 F 4.5299 8.3059 118.9724 60.5011 38.8731 177.7735 25 K 4.1330 7.6572 117.8369 59.5097 31.6509 179.1850 26 Q 3.8950 7.6785 118.3912 59.2554 29.1031 178.1842 27 K 3.9702 8.0746 118.4847 58.7424 32.1689 178.8018 28 L 4.3659 8.9000 120.2364 55.6013 41.8978 176.5891 29 V 3.7733 6.9538 120.2149 65.6636 31.5170 175.3024 30 G 4.0352 8.4659 116.5406 45.8937 0.0000 174.2542 31 V 3.6049 8.2141 121.5294 62.7985 31.8611 174.7500 32 E 4.9656 8.4961 123.6563 54.3050 32.7401 174.7775 33 A 4.3771 9.3712 121.5619 54.1244 20.7566 174.2015 34 G 4.2224 8.9503 110.4420 45.2917 0.0000 169.7509 35 S 4.4698 8.2027 110.4413 56.6921 65.3878 175.7760 36 V 3.5857 6.8171 128.0760 61.8683 33.3640 173.2759 37 K 4.0342 7.9254 118.5956 59.3920 32.9629 177.2163 38 D 4.5150 7.9192 117.5293 53.9350 41.6851 177.0875 39 K 4.2383 8.7780 120.7318 58.6036 33.4842 176.7156 40 K 5.1126 7.9984 119.2198 54.9342 33.6659 175.3085 41 Y 5.1934 8.8261 125.1510 56.7763 42.8428 173.1566 42 A 4.4744 7.5661 123.4403 50.9454 23.3001 175.4341 43 K 4.6657 8.3074 118.3171 55.4772 36.8250 175.0727 44 I 4.3626 8.4023 123.0051 60.3241 38.3437 176.5041 45 K 4.1488 8.7549 130.7287 59.4473 32.9072 176.2983 46 S 4.4710 7.5863 112.2236 58.0908 65.8557 175.3726 47 V 4.6746 7.9157 120.3949 61.2718 31.2042 176.0425 48 S 4.0386 8.7886 123.1681 60.3382 63.5895 174.4810 49 S 4.6354 7.3518 113.1355 58.0442 66.5211 176.0614 50 I 4.9456 8.5058 125.9934 60.3016 39.6766 173.9953 51 E 4.6346 9.1157 126.8683 55.0044 32.9688 175.1080 52 G 3.7804 8.2636 106.4731 43.9237 0.0000 172.1792 53 D 5.0129 8.5275 118.7097 51.8211 42.2389 175.1356 54 C 5.3518 8.8052 121.7297 57.3025 33.0326 171.2196 55 E 5.1468 8.6835 124.6538 53.7704 33.2848 173.9744 56 V 4.5794 8.7393 125.4945 61.4647 34.2356 174.1583 57 N 5.2724 8.7450 124.7127 51.8338 43.2722 172.6870 58 Q 4.8701 8.3790 118.8642 55.2969 32.1463 174.5521 59 R 4.6078 8.2043 123.8782 55.6159 35.1586 177.1518 60 K 3.6814 8.5748 119.7620 57.3082 30.2285 177.1101 61 G 4.1934 8.6396 113.8335 46.4430 0.0000 172.9788 62 K 4.5077 7.8245 117.5230 54.8890 36.4473 174.7095 63 V 4.4828 8.1706 120.7646 61.3857 33.3975 174.5845 64 I 4.7623 8.2940 120.6183 59.8616 41.6562 173.6699 65 S 4.8538 8.2366 115.1565 57.5249 65.0357 174.9710 66 L 4.0211 8.1895 129.9650 53.9441 42.2699 176.7001 67 F 4.7989 7.7983 113.3286 57.7534 39.6731 174.9896 68 D 4.6573 9.4173 120.4158 54.0833 43.7202 173.9348 69 L 5.1289 9.3030 126.4683 52.6952 45.8954 175.5035 70 K 4.8325 8.9679 121.9172 54.7380 35.0931 174.9043 71 I 5.0157 8.3598 127.3318 59.7645 41.1980 174.6053 72 T 5.0413 9.0617 121.8947 61.9608 72.1892 173.4947 73 V 4.9005 8.6231 118.8613 59.5964 35.6233 174.6948 74 L 5.2219 8.9132 123.0231 53.4532 44.3306 175.7201 75 I 5.1482 8.7365 114.3982 59.4864 41.4750 173.7793 76 E 4.9105 8.8724 122.1564 54.6837 34.1170 175.3923 77 G 3.7861 7.0711 106.4707 47.2843 0.0000 171.2928 78 H 5.2464 7.8313 112.6090 55.1451 31.9940 173.5203 79 V 5.8961 8.9183 112.2718 59.1046 36.2897 174.6126 80 D 4.9687 8.8615 122.8279 53.6323 40.7250 175.5132 81 S 4.9508 7.8931 114.1079 56.2384 65.6511 173.9434 82 K 3.7702 7.7481 118.4510 60.5125 31.7561 178.2029 83 D 4.3934 7.8870 116.4033 54.7111 39.4319 177.1631 84 G 3.9119 8.0626 109.2401 44.8346 0.0000 173.5079 85 S 4.4584 8.3850 115.8606 57.3195 64.0913 173.8102 86 A 4.5008 8.7582 127.6770 51.9503 19.1348 176.1211 87 L 4.7131 9.2665 123.3548 53.2756 42.6546 174.5826 88 P 5.0754 0.0000 0.0000 62.4579 32.6279 175.2324 89 F 5.1069 8.4975 116.9135 56.0637 42.2407 172.5652 90 E 5.0351 8.6256 116.4804 55.3347 34.1811 175.7203 91 G 2.2864 8.1078 107.4601 45.9871 0.0000 172.0952 92 S 4.9537 7.3940 113.9764 57.5678 67.2790 173.6993 93 I 5.1027 8.5153 120.7834 59.5835 40.5146 174.0202 94 N 5.1698 8.9971 126.1059 51.8556 41.2532 173.4153 95 V 4.7647 8.6512 127.2656 59.8201 32.2172 174.3398 96 P 4.3396 0.0000 0.0000 65.2335 32.1389 176.4138 97 E 4.5575 7.7649 120.9024 54.8327 32.3991 174.6476 98 V 4.6406 8.7817 127.2220 61.2891 34.3191 173.9127 99 A 5.1080 9.3435 129.6352 49.5252 22.6424 176.5348 100 F 3.5910 7.3650 113.7076 59.7801 37.6002 176.4706 101 D 4.3084 6.0500 117.4218 53.3570 39.7725 176.6202 102 S 3.9430 7.1326 116.5208 59.0573 63.6030 173.0521 103 E 4.7414 8.0582 120.4217 54.0074 33.2794 176.6914 104 A 4.3290 8.8025 122.9549 55.0487 16.8872 178.7274 105 S 4.7578 7.8769 108.2621 58.8299 64.4312 176.4404 106 S 4.2672 7.5985 116.7195 61.2775 62.6916 174.6923 107 Y 4.1343 6.8594 117.3367 58.4189 38.1422 175.3799 108 Q 4.7560 8.4764 123.0661 54.1606 31.4149 174.4473 109 F 4.8888 9.0579 122.2796 55.8479 41.9311 175.2723 110 D 4.7367 8.6819 121.7155 52.5608 42.9690 173.3443 111 I 4.6953 8.2505 125.4331 60.1628 38.4373 175.2247 112 S 4.7254 9.1518 124.0286 56.6487 65.7368 173.1744 113 I 4.3554 8.1253 125.4383 59.1416 38.4469 175.6305 114 F 4.4692 8.7561 127.5605 58.2043 39.1092 176.2392 115 K 3.7955 8.7574 123.5936 57.4060 29.3615 174.6002 116 E 4.1984 7.7777 118.0738 56.5948 31.0491 175.5898 117 T 4.7358 8.0153 111.7754 59.8410 71.7553 174.9210 118 S 4.2451 8.8551 119.7501 61.8379 62.8695 176.0139 119 E 4.1383 7.8506 119.5059 58.9312 29.6507 178.0655 120 L 4.5228 8.5441 117.7784 54.7273 41.6273 178.5798 121 S 4.0865 7.4973 114.9419 61.5057 62.6844 175.6888 122 E 3.9931 8.0304 117.9673 57.6404 29.1480 177.5476 123 A 3.6839 7.4189 121.2134 53.8669 17.8131 179.8651 124 K 3.9749 7.4169 114.2160 58.3454 32.7388 176.8844 125 P 4.1845 0.0000 0.0000 65.4872 31.1775 178.2493 126 L 3.8765 8.1922 119.3325 58.2478 41.9795 178.8398 127 I 3.5814 7.6884 119.0375 64.7648 36.8694 178.4271 128 R 3.7630 8.0779 117.6898 58.6171 29.9073 178.3661 129 S 4.5005 7.6779 112.0210 59.1397 64.1309 175.3871 130 E 4.3548 8.6173 120.7883 56.6774 30.3121 176.5378 131 L 4.3244 7.8081 118.9559 56.6255 43.2871 177.9715 132 L 3.1818 7.5090 118.4614 57.3197 41.1551 177.8856 133 P 4.1755 0.0000 0.0000 65.8587 30.9875 178.6188 134 K 4.0236 8.1479 118.4505 59.0671 31.8857 179.3610 135 L 3.6952 7.5070 118.9422 57.6544 41.6515 179.0575 136 R 3.9743 8.0514 118.6728 59.2554 30.0134 178.9120 137 Q 4.1808 8.0449 116.1229 59.4539 28.5257 178.7021 138 I 3.6972 7.2578 120.4342 64.6113 36.9801 178.2364 139 F 4.8366 7.5423 117.3924 60.6040 38.8311 177.7626 140 Q 4.4875 8.2101 117.8030 59.1883 28.5618 178.0865 141 Q 4.0947 8.5842 120.7200 59.2750 28.9489 177.9817 142 F 4.3285 8.2503 123.0869 60.3697 38.9548 177.3519 143 G 3.8244 8.5972 105.6282 48.6440 0.0000 175.0338 144 K 4.1193 8.3084 122.4632 57.5369 31.6322 179.3421 145 D 4.4095 7.7022 121.8040 57.4119 41.5207 179.0519 146 L 2.9882 7.2133 120.4379 57.8468 42.0334 178.8791 147 L 3.8255 7.2121 117.2404 57.4361 41.7776 181.1776 148 A 4.6143 8.1261 122.7765 51.4079 17.4551 177.6082 149 T 4.5213 7.3708 116.1598 65.5016 76.2839 174.8041 150 H 4.5600 7.6924 115.2118 55.0889 30.0499 174.2843 151 G 3.6637 7.9443 114.2359 45.4984 0.0000 173.5982 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 *11 W 8.27 4.61 0.00 2.53 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 0.00 0.00 0.00 0.00 12 V 7.66 4.12 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 0.89 0.00 0.00 0.94 0.00 0.00 13 D 8.92 4.58 0.00 2.56 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 14 K 9.17 4.50 0.00 1.55 1.59 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.53 7.81 15 N 8.94 4.69 0.00 2.73 2.75 0.00 0.00 7.09 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 16 C 9.13 4.76 0.00 3.00 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 17 I 7.83 3.84 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 0.96 0.00 0.00 18 G 8.10 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 0.00 0.00 0.00 19 W 8.38 4.20 0.00 3.44 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 20 A 8.38 3.71 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.36 4.23 0.00 2.04 1.92 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.86 7.81 22 E 7.71 3.87 0.00 2.05 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 2.43 2.45 0.00 23 Y 7.75 3.67 0.00 1.62 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 0.00 0.00 0.00 24 F 8.31 4.53 0.00 3.16 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 25 K 7.66 4.13 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 26 Q 7.68 3.90 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 27 K 8.07 3.97 0.00 1.56 1.67 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.93 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.81 0.25 7.81 28 L 8.90 4.37 0.00 1.61 1.65 0.87 0.58 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 V 6.95 3.77 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 0.79 0.00 0.00 0.92 0.00 0.00 30 G 8.47 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 31 V 8.21 3.60 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 0.89 0.00 0.00 0.90 0.00 0.00 32 E 8.50 4.97 0.00 2.25 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 2.20 2.35 0.00 33 A 9.37 4.38 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 0.00 0.00 34 G 8.95 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 0.00 0.00 0.00 0.00 35 S 8.20 4.47 0.00 3.73 3.66 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 36 V 6.82 3.59 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 0.23 0.00 0.00 0.67 0.00 0.00 37 K 7.93 4.03 0.00 1.81 1.85 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.40 7.81 38 D 7.92 4.52 0.00 2.81 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 39 K 8.78 4.24 0.00 1.82 1.97 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.49 7.81 40 K 8.00 5.11 0.00 1.66 1.78 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.59 7.81 41 Y 8.83 5.19 0.00 2.95 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.57 4.47 1.12 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 0.00 0.00 43 K 8.31 4.67 0.00 1.83 1.59 0.00 1.36 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.32 7.81 44 I 8.40 4.36 1.82 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 1.23 1.47 1.01 0.00 0.00 45 K 8.75 4.15 0.00 1.80 1.81 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 46 S 7.59 4.47 0.00 3.88 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 47 V 7.92 4.67 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 1.04 0.00 0.00 0.95 0.00 0.00 48 S 8.79 4.04 0.00 3.96 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 49 S 7.35 4.64 0.00 3.70 3.69 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 50 I 8.51 4.95 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.98 0.00 0.00 51 E 9.12 4.63 0.00 1.91 1.83 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 2.23 2.23 0.00 52 G 8.26 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 0.00 0.00 0.00 53 D 8.53 5.01 0.00 2.71 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 C 8.81 5.35 0.00 3.14 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 55 E 8.68 5.15 0.00 2.08 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 2.48 2.39 0.00 56 V 8.74 4.58 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 0.96 0.00 0.00 0.81 0.00 0.00 57 N 8.74 5.27 0.00 2.70 2.65 0.00 0.00 5.95 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 58 Q 8.38 4.87 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.61 0.00 59 R 8.20 4.61 0.00 1.67 1.72 0.00 3.38 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 60 K 8.57 3.68 0.00 1.96 1.73 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 61 G 8.64 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 0.00 0.00 0.00 0.00 62 K 7.82 4.51 0.00 1.73 1.63 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.36 7.81 63 V 8.17 4.48 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 0.86 0.00 0.00 0.89 0.00 0.00 64 I 8.29 4.76 1.76 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 1.01 0.39 0.85 0.00 0.00 65 S 8.24 4.85 0.00 3.93 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 66 L 8.19 4.02 0.00 1.58 1.52 0.79 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.80 4.80 0.00 3.44 3.34 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 68 D 9.42 4.66 0.00 2.82 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 69 L 9.30 5.13 0.00 1.61 1.48 1.04 0.71 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 70 K 8.97 4.83 0.00 1.73 1.58 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.44 7.81 71 I 8.36 5.02 1.54 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.19 0.78 0.00 0.00 72 T 9.06 5.04 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 1.24 0.00 0.00 73 V 8.62 4.90 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 0.73 0.00 0.00 1.02 0.00 0.00 74 L 8.91 5.22 0.00 1.56 1.60 0.99 0.86 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 75 I 8.74 5.15 1.83 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 1.27 0.97 0.87 0.00 0.00 76 E 8.87 4.91 0.00 1.76 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 0.00 2.16 2.18 0.00 77 G 7.07 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 0.00 0.00 0.00 78 H 7.83 5.25 0.00 3.30 3.28 0.00 5.43 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.92 5.90 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 0.95 0.00 0.00 1.05 0.00 0.00 80 D 8.86 4.97 0.00 2.70 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 81 S 7.89 4.95 0.00 3.98 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 82 K 7.75 3.77 0.00 1.91 1.93 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.42 7.81 83 D 7.89 4.39 0.00 2.76 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 84 G 8.06 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 85 S 8.39 4.46 0.00 3.93 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 86 A 8.76 4.50 1.21 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 87 L 9.27 4.71 0.00 1.76 1.82 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 5.08 0.00 1.95 1.95 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 89 F 8.50 5.11 0.00 3.04 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 90 E 8.63 5.04 0.00 2.13 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 2.29 2.38 0.00 91 G 8.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.39 4.95 0.00 4.05 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 93 I 8.52 5.10 1.94 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 1.12 0.68 1.12 0.00 0.00 94 N 9.00 5.17 0.00 2.76 2.66 0.00 0.00 6.28 7.31 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 95 V 8.65 4.76 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 0.63 0.00 0.00 0.81 0.00 0.00 96 P 0.00 4.34 0.00 2.06 2.12 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 97 E 7.76 4.56 0.00 1.87 1.74 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 2.05 2.20 0.00 98 V 8.78 4.64 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 0.95 0.00 0.00 -0.01 0.00 0.00 99 A 9.34 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.36 3.59 0.00 2.93 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 0.00 101 D 6.05 4.31 0.00 2.46 1.83 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 0.00 102 S 7.13 3.94 0.00 3.96 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 0.00 103 E 8.06 4.74 0.00 1.92 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 0.00 2.18 2.14 0.00 104 A 8.80 4.33 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 0.00 105 S 7.88 4.76 0.00 4.03 4.15 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 0.00 106 S 7.60 4.27 0.00 3.46 3.75 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 0.00 0.00 0.00 107 Y 6.86 4.13 0.00 3.20 2.58 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 0.00 0.00 0.00 108 Q 8.48 4.76 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 109 F 9.06 4.89 0.00 2.91 3.02 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 0.00 110 D 8.68 4.74 0.00 2.74 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 0.00 111 I 8.25 4.70 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.82 0.00 0.00 112 S 9.15 4.73 0.00 3.71 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 0.00 113 I 8.13 4.36 1.92 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.57 0.71 0.00 0.00 114 F 8.76 4.47 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 3.80 0.00 1.94 1.87 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.39 7.81 116 E 7.78 4.20 0.00 2.11 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 2.26 2.24 0.00 117 T 8.02 4.74 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 0.00 118 S 8.86 4.25 0.00 3.87 4.01 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 0.00 119 E 7.85 4.14 0.00 2.04 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 2.33 2.28 0.00 120 L 8.54 4.52 0.00 1.70 1.50 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.50 4.09 0.00 3.98 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 0.00 122 E 8.03 3.99 0.00 1.97 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 2.30 2.25 0.00 123 A 7.42 3.68 0.56 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 0.00 124 K 7.42 3.97 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 125 P 0.00 4.18 0.00 2.11 2.08 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 126 L 8.19 3.88 0.00 1.70 1.83 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.69 3.58 1.93 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 1.59 0.55 0.82 0.00 0.00 128 R 8.08 3.76 0.00 1.82 1.93 0.00 3.11 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 129 S 7.68 4.50 0.00 3.92 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 0.00 130 E 8.62 4.35 0.00 2.01 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 2.43 0.00 131 L 7.81 4.32 0.00 1.61 1.63 0.86 0.74 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 0.00 132 L 7.51 3.18 0.00 1.37 0.49 0.58 0.51 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 0.00 133 P 0.00 4.18 0.00 2.21 2.25 0.00 3.55 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 1.98 2.14 0.00 134 K 8.15 4.02 0.00 1.84 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 135 L 7.51 3.70 0.00 1.74 1.40 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.05 3.97 0.00 2.09 2.18 0.00 3.28 0.00 0.00 3.94 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 137 Q 8.04 4.18 0.00 2.39 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 138 I 7.26 3.70 1.58 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 0.86 0.00 0.00 139 F 7.54 4.84 0.00 2.67 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 0.00 140 Q 8.21 4.49 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.92 2.73 0.00 141 Q 8.58 4.09 0.00 2.32 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.76 0.00 142 F 8.25 4.33 0.00 3.69 3.68 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 0.00 143 G 8.60 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 0.00 144 K 8.31 4.12 0.00 1.99 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.57 7.81 145 D 7.70 4.41 0.00 2.54 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 0.00 146 L 7.21 2.99 0.00 0.69 1.02 0.70 0.70 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 0.00 147 L 7.21 3.83 0.00 1.83 1.62 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.13 4.61 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 0.00 149 T 7.37 4.52 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 0.55 0.00 0.00 150 H 7.69 4.56 0.00 2.85 3.07 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.94 3.66 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 * Residues marked with a * may have inaccurate shift predictions.