NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8599 8.3093 115.8632 57.1593 40.1072 176.1024 11 H 3.9908 5.9651 116.6608 56.3107 29.2083 173.9561 12 E 3.8656 8.2272 121.5524 58.9623 30.4322 179.0206 13 M 4.5649 7.7551 115.2246 55.5051 31.8861 177.0645 14 R 4.5140 7.4263 118.2517 55.6313 32.4647 175.8412 15 E 3.9836 8.1291 117.6432 55.2292 29.8931 174.8621 16 P 4.2840 0.0000 0.0000 63.1562 32.4501 174.6681 17 R 4.2637 7.7774 115.4399 55.8267 33.3051 173.5895 18 I 4.3933 8.2308 120.4351 60.2653 37.5731 175.7195 19 E 4.2582 9.2656 130.1026 58.5981 30.1392 176.7798 20 K 4.7362 7.5781 115.7101 55.8355 35.9730 174.4605 21 V 4.5755 8.9008 122.7329 61.3252 34.2196 174.5313 22 V 4.4440 8.4466 129.4756 61.3933 32.9126 174.6582 23 V 4.4296 8.3241 122.7887 60.7830 33.2458 175.0650 24 H 5.0556 8.6802 122.5577 55.3801 33.8131 172.2584 25 M 4.4738 8.7110 124.7847 53.5127 34.1403 175.5010 26 G 3.9777 8.3630 112.6267 45.6542 0.0000 172.2798 27 I 4.1724 8.2560 133.4959 60.0431 37.2061 177.5646 28 G 5.0243 8.5315 126.3036 46.2229 0.0000 172.7520 29 H 5.3414 7.9588 123.9344 56.0383 30.7340 174.0273 *35 A 4.4041 7.0505 125.0354 51.8000 19.1466 180.3696 36 N 4.3369 9.3750 120.9744 56.9727 36.9925 175.4734 37 A 4.2616 7.8231 120.9109 53.1239 19.4775 178.7563 38 E 4.0055 8.5554 117.1836 59.5080 29.2991 178.7356 39 D 4.4280 8.2367 118.4883 57.6076 40.7749 179.1731 40 I 3.6824 7.4272 111.8320 64.1266 37.6738 178.2615 41 L 4.0655 7.9928 120.6749 57.3129 41.1265 179.4956 42 G 3.7017 8.3178 105.2666 46.8337 0.0000 174.9542 43 E 4.1844 7.2730 119.1054 58.1992 30.7248 177.8536 44 I 3.9682 8.1298 117.6410 62.9499 38.0757 176.8162 45 T 4.5135 7.4373 108.6257 64.2290 70.0986 175.2826 46 G 4.1095 7.4369 107.3905 44.7797 0.0000 173.3363 47 Q 4.6271 7.4352 115.5515 53.7428 31.7019 174.9663 48 M 3.9112 8.6147 118.3418 55.8175 32.3168 174.8591 49 P 4.8180 0.0000 0.0000 61.9684 33.6670 174.8022 50 V 4.5362 8.4829 119.0092 60.8517 34.8031 175.0448 51 R 4.5408 8.5959 124.4929 56.5366 31.3987 176.0108 52 T 4.5582 8.7848 118.6296 61.9214 71.0830 173.9113 53 K 4.9393 8.7334 125.5260 55.2610 34.1632 175.4113 54 A 4.8809 7.9060 122.8514 50.2167 22.1164 175.3614 55 K 4.6037 8.1365 117.0169 55.1753 36.0415 173.0969 56 R 3.8687 8.6714 127.0463 55.7043 30.1465 176.8343 57 T 4.2705 8.2915 117.7270 63.4247 69.4529 174.2268 58 V 4.4184 8.8677 124.1500 60.7639 34.4091 176.1705 59 G 3.9416 9.2536 117.1282 48.9106 0.0000 173.9709 60 E 4.0586 8.3117 118.8234 59.0836 27.4991 177.4375 61 F 4.1410 7.6074 130.4984 60.4731 38.6132 175.4361 62 D 4.8392 8.3308 123.1333 53.2131 41.5007 175.9227 63 I 4.1413 7.6629 112.7771 62.5888 38.9331 176.5872 64 R 3.9447 7.7868 121.9030 55.7258 29.1949 174.7900 65 E 3.8621 8.2323 129.0494 58.2222 30.2912 175.6906 66 G 4.1554 7.7907 114.4346 46.3668 0.0000 171.8971 67 D 4.5934 8.5307 122.8601 51.4417 41.3156 174.3684 68 P 4.3851 0.0000 0.0000 63.8860 31.1233 175.8961 69 I 4.6560 8.7749 120.0477 61.9370 43.7365 174.2731 70 G 4.1989 7.8607 107.2416 46.0967 0.0000 171.5845 71 A 5.8261 8.4695 119.3160 51.4034 22.9592 175.7704 72 K 5.0361 8.3586 117.5998 55.7234 36.7800 175.0359 73 V 4.6077 9.2277 121.3982 61.4747 34.8537 173.8375 74 T 4.7842 8.5687 118.4214 60.2282 70.2370 173.7357 75 L 4.7727 9.0888 127.5293 52.9360 44.2802 175.9143 76 R 4.7532 7.9385 120.2927 55.0096 33.9834 176.4627 77 D 4.3246 8.8465 120.3254 55.3758 38.9268 175.7318 78 E 3.9211 9.0426 122.3201 61.3066 28.9383 178.5746 79 M 3.9636 8.2582 117.4307 58.7127 31.9465 178.8143 80 A 4.0339 7.9038 119.8793 55.1978 18.6882 179.3271 81 E 3.9186 8.1743 117.0131 59.8569 28.2979 179.3730 82 E 3.9498 8.8057 118.7677 59.3960 29.4182 179.5853 83 F 4.0478 7.9112 119.9854 61.3631 39.5453 177.2814 84 L 4.0163 8.2877 118.6501 57.9159 41.1699 179.3598 85 Q 3.8155 8.1125 117.7983 58.8773 28.8297 178.5956 86 T 4.2661 7.0573 106.7215 61.8730 69.6095 175.5907 87 A 4.2593 7.3027 123.8962 54.1778 19.9598 178.8185 88 L 3.6497 8.4972 118.5086 57.6600 41.5385 178.0307 89 P 4.3126 0.0000 0.0000 64.6309 31.3413 177.4867 90 L 4.3869 7.8028 116.3130 54.1347 42.0099 175.6941 91 A 4.8464 7.4358 121.1645 50.3825 22.1732 176.3499 92 E 4.5631 8.1829 118.8268 53.5998 29.4190 175.8110 93 L 4.2159 7.9016 120.7352 54.9528 42.3081 176.5356 94 A 5.5116 8.1821 122.5102 49.3998 22.5044 177.2907 95 T 3.9011 8.5377 116.2176 66.5779 68.9832 176.6489 96 S 4.3325 8.2389 115.9849 61.5424 62.9992 176.2201 97 Q 4.4541 8.2033 115.0271 56.4374 27.9907 175.3586 98 F 4.9318 8.1768 117.0623 55.5002 41.2488 175.1467 99 D 4.7159 9.9230 124.0638 54.0243 41.7708 175.8893 100 D 4.6773 8.5393 119.7168 55.5103 41.1569 177.4954 101 T 4.3757 7.7392 113.6736 63.1980 69.4861 174.9776 102 G 4.1842 8.5047 109.4719 46.2669 0.0000 172.9174 103 N 5.2720 8.2123 114.6917 51.1397 42.4946 173.5274 104 F 4.5567 7.8219 113.1777 55.7917 41.5403 173.1691 105 S 4.9916 8.5947 114.9937 56.7209 65.4355 172.7859 106 F 4.9442 8.9875 121.5359 56.1757 40.9804 174.4996 107 G 4.1448 8.7525 104.1474 44.8731 0.0000 172.9742 *128 L 4.1174 8.3610 123.2879 55.2727 43.5776 176.7205 129 D 4.8774 8.8451 126.7676 53.0231 43.6768 176.3941 130 V 4.0303 8.0083 120.4729 61.7287 34.4791 173.9629 131 T 4.6601 8.2532 125.1540 61.6282 70.8589 173.9808 132 V 4.4231 8.0764 125.6716 61.0311 34.2783 173.6743 133 N 4.9165 9.1181 128.2466 52.2902 40.0193 173.3751 134 L 5.2852 8.2713 126.4110 53.3244 44.3230 176.0560 135 V 4.2339 8.0055 120.6211 61.0392 35.1680 172.8281 136 R 4.1470 8.5275 119.9198 56.3748 31.2112 176.0085 137 P 3.3684 0.0000 0.0000 65.2722 31.6483 179.3403 138 G 4.0167 8.9299 113.0213 45.2450 0.0000 173.7095 139 Y 4.2751 7.9851 121.3257 59.8761 39.2365 175.8348 140 R 3.7817 8.2008 119.6230 59.6545 29.9816 177.9406 141 V 3.1853 7.4761 117.1397 65.2056 31.1002 176.6984 142 A 4.7387 7.4796 118.6575 50.8337 19.6222 176.7201 143 K 4.3044 8.2886 116.4493 55.7929 33.9288 176.7959 144 R 4.3204 7.5485 115.0601 55.3275 30.7982 176.5261 145 D 4.4289 8.5527 118.5920 57.2215 41.2447 177.6979 146 K 4.0598 8.0011 118.2566 57.3978 32.8402 177.0195 147 A 3.5824 8.5920 124.8028 52.4992 16.2202 176.8015 148 S 4.5117 7.1829 113.4514 60.4806 64.0500 173.5376 149 R 4.5759 8.7974 118.7909 55.2328 33.7012 173.7578 150 S 4.3837 8.5596 119.4768 57.7878 63.4341 173.7831 151 I 3.8877 8.2810 127.7397 60.4085 37.4846 174.3458 152 P 4.3853 0.0000 0.0000 62.7467 31.4895 177.4873 153 T 3.9130 8.6569 111.5905 64.6110 68.7118 176.4892 154 K 4.0595 8.0861 120.8438 59.1570 32.2091 177.0906 155 H 4.5921 8.1947 116.1475 56.2715 30.2345 175.2807 156 R 4.1833 7.2681 117.3148 56.2361 30.5292 176.3613 157 L 4.2017 8.2906 123.4937 55.0561 43.0775 176.0940 158 N 5.1867 8.2415 119.0861 50.2386 43.1805 173.8935 159 P 4.3358 0.0000 0.0000 65.8692 31.5899 178.8053 160 A 3.8759 7.9108 118.6961 55.4817 17.9225 179.3744 161 D 4.4155 8.1228 116.0817 56.6931 40.8354 178.7928 162 A 4.1717 8.3093 122.3343 55.1197 18.7342 179.4305 163 V 3.2228 8.1343 116.7881 66.9202 31.2977 177.0795 164 A 3.9928 8.2558 119.4638 53.8450 17.6967 179.3732 165 F 4.2506 7.9699 119.5382 61.1977 40.3648 178.0551 166 I 3.5808 8.0603 119.6043 64.0842 36.6866 177.7214 167 E 4.6382 8.4455 122.5039 58.8604 29.4379 178.9956 168 S 4.6029 8.5479 110.4915 57.8772 62.9686 174.8549 169 T 4.4896 8.0319 116.6949 63.5535 70.8431 172.6799 170 Y 3.3441 8.1673 128.1212 57.3861 34.9123 168.6037 171 D 4.3607 6.6046 117.3121 53.7553 42.5132 175.1876 172 V 4.7393 7.7659 117.8050 61.0828 35.5319 176.3940 173 E 4.4847 8.9014 127.2971 57.6195 28.5340 176.7121 174 V 3.7175 7.4539 116.4307 61.7205 32.0895 175.0114 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 10 F 8.31 4.86 0.00 3.19 3.30 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 11 H 5.97 3.99 0.00 3.10 2.43 0.00 5.46 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.23 3.87 0.00 1.69 1.79 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 2.29 2.19 0.00 13 M 7.76 4.56 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 14 R 7.43 4.51 0.00 1.90 1.91 0.00 3.29 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 15 E 8.13 3.98 0.00 2.17 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 2.45 2.24 0.00 16 P 0.00 4.28 0.00 0.78 1.59 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 17 R 7.78 4.26 0.00 1.77 1.87 0.00 2.74 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 18 I 8.23 4.39 1.96 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 1.39 0.87 0.94 0.00 0.00 19 E 9.27 4.26 0.00 1.77 1.96 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 2.29 2.26 0.00 20 K 7.58 4.74 0.00 1.77 1.80 0.00 1.45 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.34 7.81 21 V 8.90 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 0.87 0.00 0.00 0.97 0.00 0.00 22 V 8.45 4.44 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 0.81 0.00 0.00 0.84 0.00 0.00 23 V 8.32 4.43 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 -0.10 0.00 0.00 0.77 0.00 0.00 24 H 8.68 5.06 0.00 3.17 2.98 0.00 5.53 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 25 M 8.71 4.47 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 26 G 8.36 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 0.00 0.00 0.00 27 I 8.26 4.17 1.88 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 1.08 0.69 0.68 0.00 0.00 28 G 8.53 5.02 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 29 H 7.96 5.34 0.00 3.23 3.38 0.00 5.76 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 *35 A 7.05 4.40 1.03 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 0.00 0.00 36 N 9.38 4.34 0.00 2.84 2.98 0.00 0.00 5.87 7.26 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 37 A 7.82 4.26 1.29 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 38 E 8.56 4.01 0.00 1.97 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 2.31 2.63 0.00 39 D 8.24 4.43 0.00 2.67 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 40 I 7.43 3.68 1.88 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 1.75 1.01 0.91 0.00 0.00 41 L 7.99 4.07 0.00 1.86 1.71 0.86 0.88 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 42 G 8.32 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 43 E 7.27 4.18 0.00 2.18 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 0.00 2.27 2.50 0.00 44 I 8.13 3.97 1.95 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 1.96 0.85 1.08 0.00 0.00 45 T 7.44 4.51 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 0.97 0.00 0.00 46 G 7.44 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 0.00 0.00 0.00 47 Q 7.44 4.63 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 48 M 8.61 3.91 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 49 P 0.00 4.82 0.00 2.03 2.02 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 50 V 8.48 4.54 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 1.04 0.00 0.00 0.95 0.00 0.00 51 R 8.60 4.54 0.00 1.72 1.82 0.00 3.34 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 52 T 8.78 4.56 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 53 K 8.73 4.94 0.00 1.62 1.71 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 54 A 7.91 4.88 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 55 K 8.14 4.60 0.00 1.60 1.68 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.42 7.81 56 R 8.67 3.87 0.00 1.96 1.94 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 57 T 8.29 4.27 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 1.24 0.00 0.00 58 V 8.87 4.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.04 0.00 0.00 59 G 9.25 3.94 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 0.00 0.00 0.00 60 E 8.31 4.06 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 61 F 7.61 4.14 0.00 3.01 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 62 D 8.33 4.84 0.00 2.91 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.66 4.14 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 1.02 0.00 0.00 64 R 7.79 3.94 0.00 1.75 2.07 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 65 E 8.23 3.86 0.00 2.04 1.77 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 2.37 2.30 0.00 66 G 7.79 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 67 D 8.53 4.59 0.00 2.60 2.57 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 0.00 0.00 0.00 0.00 68 P 0.00 4.39 0.00 1.93 2.05 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 69 I 8.77 4.66 1.96 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 1.13 1.06 0.85 0.00 0.00 70 G 7.86 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 0.00 0.00 0.00 0.00 71 A 8.47 5.83 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 72 K 8.36 5.04 0.00 1.85 1.89 0.00 1.39 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.39 7.81 73 V 9.23 4.61 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 1.03 0.00 0.00 0.85 0.00 0.00 74 T 8.57 4.78 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 1.15 0.00 0.00 75 L 9.09 4.77 0.00 1.46 1.61 0.64 0.18 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 76 R 7.94 4.75 0.00 1.62 1.77 0.00 3.31 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 77 D 8.85 4.32 0.00 2.88 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 78 E 9.04 3.92 0.00 2.01 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 2.42 2.44 0.00 79 M 8.26 3.96 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 80 A 7.90 4.03 1.37 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 0.00 0.00 81 E 8.17 3.92 0.00 2.17 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 2.37 2.52 0.00 82 E 8.81 3.95 0.00 2.01 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 0.00 2.34 2.53 0.00 83 F 7.91 4.05 0.00 3.27 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.29 4.02 0.00 1.92 1.80 1.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.11 3.82 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.11 2.42 0.00 86 T 7.06 4.27 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 1.16 0.00 0.00 87 A 7.30 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.50 3.65 0.00 1.71 1.67 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.31 0.00 1.99 2.10 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 90 L 7.80 4.39 0.00 1.80 1.75 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.44 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.18 4.56 0.00 1.93 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 2.18 2.27 0.00 93 L 7.90 4.22 0.00 1.59 1.66 0.66 0.61 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 94 A 8.18 5.51 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 95 T 8.54 3.90 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 1.15 0.00 0.00 96 S 8.24 4.33 0.00 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.20 4.45 0.00 2.51 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 98 F 8.18 4.93 0.00 3.18 3.05 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 99 D 9.92 4.72 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.54 4.68 0.00 2.73 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 0.00 101 T 7.74 4.38 4.27 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 1.24 0.00 0.00 102 G 8.50 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 0.00 0.00 0.00 103 N 8.21 5.27 0.00 2.76 2.62 0.00 0.00 6.51 8.13 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 0.00 104 F 7.82 4.56 0.00 2.54 1.62 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 0.00 105 S 8.59 4.99 0.00 3.69 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 0.00 106 F 8.99 4.94 0.00 3.15 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 0.00 107 G 8.75 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 0.00 0.00 0.00 *128 L 8.36 4.12 0.00 1.76 1.63 0.95 1.18 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 0.00 129 D 8.85 4.88 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.03 0.67 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 0.88 0.00 0.00 0.81 0.00 0.00 131 T 8.25 4.66 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 1.05 0.00 0.00 132 V 8.08 4.42 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 0.00 0.00 0.98 0.00 0.00 0.61 0.00 0.00 133 N 9.12 4.92 0.00 2.71 2.59 0.00 0.00 6.62 6.21 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 0.00 134 L 8.27 5.29 0.00 1.78 1.51 1.34 1.15 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 0.00 135 V 8.01 4.23 1.50 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 0.32 0.00 0.00 0.57 0.00 0.00 136 R 8.53 4.15 0.00 1.60 1.77 0.00 3.11 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 137 P 0.00 3.37 0.00 2.09 1.85 0.00 3.75 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 2.01 2.11 0.00 138 G 8.93 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 0.00 139 Y 7.99 4.28 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.78 0.00 1.92 1.93 0.00 3.26 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 141 V 7.48 3.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 142 A 7.48 4.74 1.04 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 0.00 143 K 8.29 4.30 0.00 1.56 1.75 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.79 1.38 7.81 144 R 7.55 4.32 0.00 1.89 1.89 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 145 D 8.55 4.43 0.00 2.67 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 0.00 146 K 8.00 4.06 0.00 1.80 1.70 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.59 3.58 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 0.00 148 S 7.18 4.51 0.00 3.87 4.09 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 0.00 0.00 0.00 0.00 149 R 8.80 4.58 0.00 1.83 1.71 0.00 3.12 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 150 S 8.56 4.38 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 0.00 151 I 8.28 3.89 1.98 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 1.40 1.13 1.03 0.00 0.00 152 P 0.00 4.39 0.00 2.20 2.00 0.00 3.64 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.66 3.91 4.27 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 1.23 0.00 0.00 154 K 8.09 4.06 0.00 1.80 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 155 H 8.19 4.59 0.00 3.09 3.37 0.00 5.95 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.27 4.18 0.00 2.11 1.88 0.00 3.44 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 157 L 8.29 4.20 0.00 1.53 1.78 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.24 5.19 0.00 2.95 2.67 0.00 0.00 6.86 8.03 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 0.00 159 P 0.00 4.34 0.00 2.15 2.17 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.49 0.00 160 A 7.91 3.88 1.29 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 0.00 161 D 8.12 4.42 0.00 2.84 2.75 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 0.00 162 A 8.31 4.17 1.64 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 0.00 0.00 163 V 8.13 3.22 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 0.79 0.00 0.00 0.09 0.00 0.00 164 A 8.26 3.99 1.37 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 0.00 0.00 165 F 7.97 4.25 0.00 3.06 3.33 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 0.00 166 I 8.06 3.58 1.87 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.03 0.83 0.00 0.00 167 E 8.45 4.64 0.00 1.88 2.20 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 2.28 2.29 0.00 168 S 8.55 4.60 0.00 3.80 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 0.00 169 T 8.03 4.49 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 170 Y 8.17 3.34 0.00 3.00 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 0.00 171 D 6.60 4.36 0.00 2.92 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 0.00 172 V 7.77 4.74 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 0.88 0.00 0.00 0.89 0.00 0.00 173 E 8.90 4.48 0.00 1.98 1.73 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 2.30 2.22 0.00 174 V 7.45 3.72 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 0.92 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.