NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4245 8.4345 115.4127 57.3822 64.8974 173.6426 3 K 4.5385 7.6311 121.4823 52.2093 35.1579 179.1295 4 S 4.4657 9.1690 117.7422 58.0444 64.4657 174.1578 5 L 4.0634 8.2365 122.3689 55.0234 41.8771 176.9997 6 Q 4.3807 8.3328 122.4572 53.8104 30.8992 175.0474 7 K 4.1182 8.6180 125.2690 55.6660 32.7398 175.2537 8 P 4.5620 0.0000 0.0000 63.3100 32.2904 175.2589 9 T 4.4312 8.6484 111.6532 60.3167 70.9851 174.0441 10 I 4.3195 8.2424 126.2911 60.9485 36.8291 175.8386 11 L 4.1502 8.9071 128.7083 57.2772 42.0580 177.6091 12 N 4.7204 7.7916 114.4674 52.5585 42.2661 172.7936 13 V 4.8910 8.3661 125.1335 61.3041 34.2589 174.4245 14 E 4.6853 8.7546 127.2663 55.0304 33.4922 174.1356 15 T 4.4062 8.7157 124.2871 64.1527 68.4066 174.1195 16 V 4.3432 8.4994 125.7994 63.2597 33.6577 175.4960 17 A 4.7231 7.6079 119.5245 51.0093 22.4557 175.4111 18 R 5.0249 8.6082 118.0900 54.7349 31.9237 174.7477 19 S 4.8592 9.3804 121.8187 58.1843 63.4816 174.7243 20 R 4.4546 8.5988 120.7411 56.3000 30.1790 176.7464 21 L 4.4215 7.5673 113.9155 55.5472 46.4913 174.6755 22 F 4.8029 8.3497 117.4510 56.2126 41.3254 173.6432 23 T 4.9952 8.6139 120.1454 60.2263 69.2479 173.1297 24 V 4.4304 8.8430 129.8528 61.0190 33.4937 175.1001 25 E 5.1817 9.6337 122.6498 54.6834 33.5042 174.5670 26 S 5.1132 9.0776 117.5023 56.6500 64.8440 172.8109 27 V 4.7983 9.3764 128.2794 61.2004 34.0832 173.8336 28 D 5.0746 9.3189 128.8411 53.5933 42.1049 175.5111 29 L 5.0734 9.3490 123.7179 52.6747 45.8778 175.3211 30 E 4.8968 8.5672 123.6091 54.3827 31.8868 175.8063 31 F 4.6342 9.6781 126.9887 56.6319 39.9874 176.8445 32 S 4.2706 8.9567 118.2107 62.0525 62.5555 175.4615 33 N 4.6744 8.3099 115.1564 52.7465 36.9879 176.0901 34 G 3.9214 8.6123 106.1634 46.1203 0.0000 174.4523 35 V 3.9068 8.1069 121.3705 62.8053 32.5920 174.8900 36 R 5.2871 8.5964 126.4473 54.8102 32.2360 175.3583 37 R 4.5496 9.0979 122.2712 55.0326 34.3712 173.5867 38 V 4.6142 7.9908 123.4761 61.5439 32.9459 174.3138 39 Y 4.9740 9.2060 125.7207 56.3377 41.2927 174.5484 40 E 5.3253 8.9136 120.3820 54.7781 32.6331 173.8506 41 R 4.6467 8.9945 121.6983 56.2850 35.5100 177.5305 *43 R 4.5755 9.0687 114.8864 55.0215 30.8869 171.9532 44 P 4.8728 0.0000 0.0000 62.6232 31.9862 175.5652 45 T 4.7192 8.1496 109.8378 60.3285 71.7388 173.3114 46 N 4.6904 8.5136 118.2716 52.9037 39.2811 175.1113 47 R 3.9170 7.4261 119.8026 56.5510 30.2166 175.5381 48 E 4.8159 8.5812 124.5699 55.0320 32.3341 174.9809 49 A 5.1553 8.6729 123.8597 50.7176 22.0301 176.0188 50 V 4.7271 8.6917 117.7134 59.5151 35.3856 173.8404 *52 I 4.2463 8.2022 119.5959 61.7454 38.3188 176.4714 53 V 4.1959 8.2204 127.1363 60.3986 32.0680 171.7794 54 P 5.0913 0.0000 0.0000 61.8878 32.9556 174.8702 55 I 4.6508 8.5022 124.5365 60.6097 39.2030 173.7315 56 V 3.9817 9.0734 126.4064 62.1689 32.9980 176.0621 57 D 4.8142 8.0315 118.3318 53.5325 40.6704 176.2489 58 D 4.4587 7.9851 116.0766 55.6937 39.1352 173.3619 59 H 5.4155 7.6419 111.4681 54.0516 33.3691 172.7453 60 L 5.0041 9.6201 122.6349 54.0514 43.5104 176.0813 61 I 4.8133 8.5503 125.0301 60.3879 37.6286 175.3824 62 L 4.9284 9.3963 128.6010 53.2116 44.3832 175.7745 63 I 5.1171 9.0178 113.3638 59.3858 41.4703 174.2936 64 R 5.1399 8.5102 122.5463 54.6905 31.6553 175.4966 65 E 4.9065 9.1516 124.6054 54.2735 33.5638 173.8618 66 Y 3.9399 8.8519 127.5548 57.4535 40.4352 174.0510 67 A 4.5193 7.6382 128.5308 49.8204 20.7859 177.5038 68 V 3.3929 8.3438 122.9925 64.6022 32.1376 177.9440 69 G 3.7249 8.1153 109.1897 48.0987 0.0000 173.9913 70 T 4.2601 7.5557 106.2719 60.1313 69.9156 173.5602 71 E 3.6928 7.8165 120.5253 55.6714 27.5299 173.1073 72 S 4.6375 6.7628 110.7483 57.8178 67.1919 173.3884 73 Y 4.8299 8.5832 118.3122 56.9240 38.4344 175.6575 74 E 4.5598 9.1563 123.5831 55.3848 32.3447 174.8709 75 L 5.0157 8.4174 123.8387 53.6860 44.4549 176.0862 76 G 3.9475 8.2980 113.7092 46.1613 0.0000 171.5344 77 F 4.9586 7.9172 118.2599 55.8364 40.1962 175.9130 78 S 4.2054 8.8507 118.7581 58.8024 62.5902 173.6969 79 K 4.8261 8.4039 126.0009 54.8591 35.3241 175.1945 80 G 4.1747 8.8037 108.5724 45.5209 0.0000 171.9611 81 L 4.9105 8.3384 119.6930 53.8863 43.2687 176.9012 82 I 4.2305 8.3338 123.4543 59.9493 37.8744 175.9679 83 D 4.4697 10.2555 129.0817 53.0391 41.4056 174.3560 84 P 4.2742 0.0000 0.0000 64.7583 31.6589 175.8690 85 G 4.0702 9.0436 110.8722 45.4575 0.0000 173.6536 86 E 4.4498 8.3340 119.5234 55.8089 30.4648 176.6848 87 S 4.5657 8.6791 117.7513 57.3592 66.0139 175.8640 88 V 3.3747 7.7668 114.2277 64.4789 30.9767 178.3821 89 Y 4.0430 7.3603 115.9106 61.0990 37.8318 178.3202 90 E 3.9863 8.2033 118.9908 59.4948 29.6365 179.3931 91 A 4.2060 8.2782 121.8521 54.4463 18.4251 179.5793 92 A 3.8936 8.1305 119.4193 55.4042 18.5003 179.4407 93 N 4.3020 8.3853 115.7310 56.5895 38.9800 177.1898 94 R 3.8696 8.1040 120.1873 59.5940 30.2346 178.3749 95 E 3.9822 8.2137 118.4076 59.2628 29.3296 179.1737 96 L 3.9728 8.0479 120.4342 58.1020 42.1839 179.2283 97 K 4.0436 7.8442 118.0756 59.4840 31.7408 179.2795 98 E 4.7054 8.0778 119.3540 58.6921 29.5307 178.5280 99 E 4.3076 8.2842 117.3146 57.4451 30.0853 177.2828 100 V 4.1563 7.9421 115.5859 61.6028 33.3865 176.0870 101 G 3.7479 8.3649 107.0210 46.0166 0.0000 172.3955 102 F 5.3398 7.8472 115.9461 55.3914 43.0732 174.3342 103 G 3.9270 8.3571 108.5490 44.3266 0.0000 171.7314 104 A 5.0887 9.9305 121.3255 50.2916 21.5067 176.5387 105 N 4.6160 9.6170 119.0084 55.0324 39.8493 174.8846 106 D 4.7931 8.5887 118.2341 52.2829 43.2550 173.5544 107 L 5.2712 8.5137 124.7244 52.9709 44.1427 175.7939 108 T 4.6632 9.0026 118.6592 60.1108 70.3797 172.5107 109 F 4.7563 9.1273 131.7731 57.8595 38.8598 174.3398 110 L 3.9038 8.3403 129.8961 56.9124 42.7336 176.5962 111 K 3.9501 6.6026 116.6935 55.5961 35.4195 173.2079 112 K 5.0619 8.7340 125.2912 54.6817 34.4457 174.9942 113 L 4.8855 8.3976 124.9468 53.1739 46.1391 175.9539 114 S 4.9340 8.4761 117.6906 58.3516 63.2949 176.2944 *116 A 4.2411 8.1702 118.6352 52.8595 18.6474 175.4111 117 P 5.2449 0.0000 0.0000 63.3881 32.3264 178.5279 118 S 3.9153 7.9081 114.4053 61.1753 62.7525 174.6429 119 Y 4.3246 7.0187 114.8077 58.0483 39.4648 175.7859 120 F 5.1450 7.8471 117.5593 55.6406 42.0568 175.9629 121 S 4.5924 8.4955 114.9977 58.5859 65.0136 174.3670 122 S 4.3625 8.2109 114.6043 58.7608 62.9805 173.6157 123 K 5.1876 8.0352 124.9593 54.7725 36.1072 173.6808 *125 N 4.9964 8.6107 115.7749 53.8210 40.4590 173.5930 126 I 4.2700 8.8625 125.9269 60.2432 38.9614 175.0108 127 V 4.7032 8.1714 126.8967 60.9282 34.5309 174.1548 128 V 4.3663 8.6427 128.6308 61.9675 33.0450 174.2137 129 A 5.1939 8.5526 129.8850 50.4715 21.1887 175.4412 130 Q 4.6446 8.9242 121.0260 54.0098 33.8475 174.0251 131 D 4.7023 8.2771 117.6218 55.3727 38.7810 172.5863 132 L 4.7662 7.2900 119.9852 54.4604 43.6015 177.3536 133 Y 4.9480 7.8557 118.6578 54.6762 41.5857 172.7154 134 P 4.9056 0.0000 0.0000 63.1686 32.2270 175.3800 135 E 4.8238 8.4767 120.5147 55.7764 33.5002 175.0939 136 S 5.0428 9.0362 121.9554 56.5285 64.9278 172.7976 137 L 4.9397 8.5213 125.2419 52.7952 45.8705 175.5070 138 E 4.5233 8.7983 120.6710 55.7334 30.0783 176.5892 139 G 4.2411 8.3579 114.8564 44.4211 0.0000 173.0072 140 D 4.8742 8.4439 121.6174 53.7436 41.2884 176.3497 141 E 4.1778 7.9565 118.1435 55.6602 30.1272 175.3635 142 P 4.4817 0.0000 0.0000 64.6109 32.1106 175.9648 143 E 4.7558 7.7055 115.2960 53.4794 32.4742 173.1369 144 P 4.2971 0.0000 0.0000 62.9724 31.9012 175.9119 145 L 4.5370 8.1570 120.4042 52.4750 42.2370 174.7722 146 P 4.3814 0.0000 0.0000 63.1529 32.3315 175.5932 147 Q 5.0736 8.6365 122.3701 54.5282 30.9968 175.1968 148 V 4.4290 8.9647 122.3095 61.2131 34.7185 174.5448 149 R 4.8029 8.8678 127.5832 55.4397 30.7876 175.5811 150 W 4.7569 9.3917 135.0000 54.3512 33.3789 173.0820 151 P 4.5401 0.0000 0.0000 63.1382 31.0354 177.3414 152 L 4.1869 8.7955 124.1947 57.7259 41.5781 178.7323 153 A 4.0275 8.2251 120.5367 54.3632 18.5250 176.3752 154 H 4.9712 7.7826 111.2135 54.1372 32.6622 173.2471 *157 D 4.7538 8.3786 119.0081 54.4427 42.8014 178.2061 158 L 3.2290 7.5383 118.4771 57.1388 41.4546 178.9610 159 L 4.7739 7.5150 116.2721 56.4057 41.7026 177.5375 160 E 4.1400 8.0984 117.1012 57.0715 29.9995 175.8103 161 D 4.7666 7.8313 120.1200 51.8068 41.0339 174.9030 162 P 4.4509 0.0000 0.0000 65.7381 31.6947 178.5904 163 D 4.4602 8.9449 118.0665 56.2720 40.8655 177.5598 164 F 5.1250 8.1309 119.5643 58.2436 40.8290 176.5034 165 N 4.7429 7.7218 118.7045 52.9221 35.8756 172.7209 166 E 4.7541 7.3843 120.2169 53.0232 34.4844 174.7140 167 A 3.9880 8.6566 127.1811 55.7680 18.3235 180.4501 168 R 3.8437 8.1899 115.5611 59.4003 30.1972 178.7784 169 N 4.3840 8.4001 116.3708 56.3894 38.4354 177.6548 170 V 3.7974 7.7439 119.4752 66.0362 31.5588 178.1802 171 S 4.1913 8.2028 114.6818 61.6078 62.7177 176.2711 172 A 3.9176 8.1160 123.3615 55.2366 18.0785 179.1719 173 L 3.9808 8.4954 118.9769 58.7046 42.0560 179.3755 174 F 4.2267 8.2872 117.4306 60.5672 38.7793 177.8127 175 L 4.0816 8.4096 118.9354 57.6298 41.3863 179.7117 176 V 3.6776 8.0630 118.5664 65.8443 31.4609 178.1286 177 R 4.0306 8.1255 118.6467 59.3406 29.8970 178.3699 178 E 4.0058 8.6437 118.7809 59.1194 29.2778 178.9980 179 W 4.2200 8.2904 127.2908 60.5361 31.0676 177.5645 180 L 3.8641 8.6108 119.1867 57.6585 41.0449 179.3595 181 K 3.8746 8.6972 118.8344 59.8329 31.8580 179.2090 182 G 3.9126 7.5220 104.3296 47.0532 0.0000 173.9796 183 Q 4.3734 7.4030 115.6306 54.8782 29.2050 175.5650 184 G 3.8995 8.5277 106.3555 47.0914 0.0000 175.1154 185 R 4.1919 8.7432 113.3677 56.3784 29.8047 176.5881 186 V 3.6733 7.0739 123.1355 61.2415 31.8753 175.1048 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 S 8.43 4.42 0.00 3.99 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 3 K 7.63 4.54 0.00 1.83 1.57 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.09 7.81 4 S 9.17 4.47 0.00 3.86 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 5 L 8.24 4.06 0.00 1.64 1.62 0.92 0.82 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 6 Q 8.33 4.38 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 7 K 8.62 4.12 0.00 1.76 1.71 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 P 0.00 4.56 0.00 1.68 1.21 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 9 T 8.65 4.43 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 10 I 8.24 4.32 1.84 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 1.31 0.35 0.89 0.00 0.00 11 L 8.91 4.15 0.00 1.59 1.70 0.89 0.85 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 12 N 7.79 4.72 0.00 2.79 2.57 0.00 0.00 6.58 7.71 0.00 0.00 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 V 8.37 4.89 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 0.87 0.00 0.00 0.93 0.00 0.00 14 E 8.75 4.69 0.00 2.16 1.72 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 2.21 2.16 0.00 15 T 8.72 4.41 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 1.23 0.00 0.00 16 V 8.50 4.34 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 0.80 0.00 0.00 0.94 0.00 0.00 17 A 7.61 4.72 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 18 R 8.61 5.02 0.00 1.79 1.90 0.00 3.03 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 19 S 9.38 4.86 0.00 4.04 3.89 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 20 R 8.60 4.45 0.00 1.81 1.97 0.00 3.25 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 21 L 7.57 4.42 0.00 1.42 1.37 0.68 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.35 4.80 0.00 3.14 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 23 T 8.61 5.00 4.28 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 1.25 0.00 0.00 24 V 8.84 4.43 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 0.77 0.00 0.00 0.98 0.00 0.00 25 E 9.63 5.18 0.00 1.90 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 2.24 0.00 26 S 9.08 5.11 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.38 4.80 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 0.94 0.00 0.00 0.96 0.00 0.00 28 D 9.32 5.07 0.00 2.80 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 29 L 9.35 5.07 0.00 1.50 0.95 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.57 4.90 0.00 1.99 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 2.21 2.26 0.00 31 F 9.68 4.63 0.00 3.35 3.01 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 32 S 8.96 4.27 0.00 3.93 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 33 N 8.31 4.67 0.00 2.83 2.92 0.00 0.00 6.03 7.00 0.00 0.00 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 8.61 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 0.00 0.00 0.00 35 V 8.11 3.91 2.30 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 0.95 0.00 0.00 1.02 0.00 0.00 36 R 8.60 5.29 0.00 1.73 1.82 0.00 3.26 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 37 R 9.10 4.55 0.00 2.09 1.32 0.00 3.07 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.40 0.00 38 V 7.99 4.61 1.97 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 0.83 0.00 0.00 0.87 0.00 0.00 39 Y 9.21 4.97 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.91 5.33 0.00 1.88 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 2.38 2.30 0.00 41 R 8.99 4.65 0.00 1.99 1.29 0.00 2.80 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 *43 R 9.07 4.58 0.00 2.04 1.97 0.00 3.27 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 44 P 0.00 4.87 0.00 2.23 2.06 0.00 3.44 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 45 T 8.15 4.72 4.28 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 1.22 0.00 0.00 46 N 8.51 4.69 0.00 2.69 2.86 0.00 0.00 6.90 7.66 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 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0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 65 E 9.15 4.91 0.00 2.07 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 2.22 2.31 0.00 66 Y 8.85 3.94 0.00 2.40 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 67 A 7.64 4.52 0.96 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 0.00 0.00 68 V 8.34 3.39 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 0.73 0.00 0.00 1.02 0.00 0.00 69 G 8.12 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.56 4.26 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 1.14 0.00 0.00 71 E 7.82 3.69 0.00 2.14 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 0.00 2.38 2.38 0.00 72 S 6.76 4.64 0.00 3.89 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 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2.88 0.00 0.00 0.00 0.00 1.41 1.22 7.81 *125 N 8.61 5.00 0.00 2.68 2.74 0.00 0.00 6.84 7.32 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 0.00 126 I 8.86 4.27 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.59 0.74 0.00 0.00 127 V 8.17 4.70 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 0.98 0.00 0.00 0.84 0.00 0.00 128 V 8.64 4.37 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 0.66 0.00 0.00 0.36 0.00 0.00 129 A 8.55 5.19 1.23 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 0.00 130 Q 8.92 4.64 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.26 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 131 D 8.28 4.70 0.00 2.95 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 0.00 132 L 7.29 4.77 0.00 0.86 0.96 0.65 0.73 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 0.00 133 Y 7.86 4.95 0.00 3.12 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 0.00 134 P 0.00 4.91 0.00 2.09 2.15 0.00 3.97 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 2.19 2.42 0.00 135 E 8.48 4.82 0.00 2.19 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 2.17 2.19 0.00 136 S 9.04 5.04 0.00 3.83 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.52 4.94 0.00 1.66 1.50 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.80 4.52 0.00 1.95 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 2.28 2.24 0.00 139 G 8.36 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 0.00 0.00 0.00 0.00 140 D 8.44 4.87 0.00 2.65 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 0.00 141 E 7.96 4.18 0.00 2.10 1.97 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 2.29 2.38 0.00 142 P 0.00 4.48 0.00 2.20 2.22 0.00 3.77 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 1.97 0.00 143 E 7.71 4.76 0.00 2.06 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 2.24 2.38 0.00 144 P 0.00 4.30 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 145 L 8.16 4.54 0.00 1.68 1.72 0.98 1.11 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 0.00 146 P 0.00 4.38 0.00 2.06 1.96 0.00 3.83 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 147 Q 8.64 5.07 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 148 V 8.96 4.43 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 1.23 0.00 0.00 1.02 0.00 0.00 149 R 8.87 4.80 0.00 1.76 1.90 0.00 3.21 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 150 W 9.39 4.76 0.00 3.41 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 0.00 151 P 0.00 4.54 0.00 2.12 1.99 0.00 3.10 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 1.87 1.83 0.00 152 L 8.80 4.19 0.00 1.57 1.80 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.23 4.03 1.16 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 0.00 154 H 7.78 4.97 0.00 3.14 3.44 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 D 8.38 4.75 0.00 3.34 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 0.00 158 L 7.54 3.23 0.00 0.77 0.13 -0.22 -1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.52 4.77 0.00 1.62 1.78 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.10 4.14 0.00 2.18 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 2.37 2.43 0.00 161 D 7.83 4.77 0.00 2.77 2.62 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 0.00 162 P 0.00 4.45 0.00 2.24 2.12 0.00 3.70 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 163 D 8.94 4.46 0.00 2.90 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 0.00 164 F 8.13 5.12 0.00 2.73 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 0.00 165 N 7.72 4.74 0.00 2.85 2.79 0.00 0.00 6.22 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 0.00 166 E 7.38 4.75 0.00 1.80 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 2.17 2.17 0.00 167 A 8.66 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 R 8.19 3.84 0.00 2.11 1.97 0.00 3.10 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 169 N 8.40 4.38 0.00 2.23 1.42 0.00 0.00 6.71 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 V 7.74 3.80 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 1.38 0.00 0.00 1.04 0.00 0.00 171 S 8.20 4.19 0.00 4.21 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 0.00 172 A 8.12 3.92 1.27 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 0.00 0.00 173 L 8.50 3.98 0.00 2.27 1.95 0.92 0.68 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 0.00 174 F 8.29 4.23 0.00 3.26 3.06 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 0.00 175 L 8.41 4.08 0.00 1.68 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.06 3.68 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 1.04 0.00 0.00 0.77 0.00 0.00 177 R 8.13 4.03 0.00 2.01 2.16 0.00 3.12 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 178 E 8.64 4.01 0.00 2.27 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 2.63 2.54 0.00 179 W 8.29 4.22 0.00 3.28 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 8.61 3.86 0.00 2.09 1.70 1.01 0.89 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 0.00 181 K 8.70 3.87 0.00 2.06 1.87 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.49 7.81 182 G 7.52 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 0.00 183 Q 7.40 4.37 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 184 G 8.53 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 0.00 185 R 8.74 4.19 0.00 1.89 1.97 0.00 2.96 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 186 V 7.07 3.67 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 0.62 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.