NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0771 7.9014 114.0610 59.7989 34.4969 175.9040 4 G 3.7995 8.4882 108.6619 45.0307 0.0000 173.7035 5 Y 3.8635 9.5930 119.3114 57.7894 37.4328 167.6375 6 G 4.1358 7.7700 106.5570 43.7932 0.0000 173.9668 7 D 4.6175 9.7203 122.2058 52.3340 40.2214 176.7333 8 I 3.9150 8.4747 128.6332 64.2040 38.0388 177.8263 9 T 4.0331 8.0716 109.0108 63.6207 68.6951 174.9236 10 Q 4.5290 8.3813 120.4284 55.4949 29.1087 175.1131 11 V 4.1192 7.2614 118.3324 61.7084 32.4412 175.6405 12 E 4.3580 8.6090 126.4900 56.3892 30.3265 175.9798 13 T 4.6117 8.1008 115.7007 61.0093 70.6219 173.3480 14 S 4.5677 8.7704 121.0450 57.0841 64.1756 175.2781 15 G 3.8103 8.1573 109.8012 46.5308 0.0000 173.5283 16 A 4.3512 8.0784 123.2905 51.6933 19.6163 177.5455 17 S 4.7303 8.8328 116.3829 57.5514 65.7013 175.8078 18 S 4.0847 8.4524 117.5762 61.4136 62.2137 176.7628 19 K 3.8401 7.9107 121.0195 60.0045 32.2578 178.2860 20 T 4.0432 7.6416 113.2408 64.8674 67.3068 176.4857 21 S 4.0565 8.1471 116.0881 60.9649 62.9627 176.3199 22 R 4.0010 8.0053 121.4612 58.4405 29.4713 178.4864 23 Q 4.0729 7.9931 117.5648 57.7313 28.7311 176.4127 24 D 4.7145 7.6585 117.0884 53.2703 41.3293 176.0337 25 K 3.8400 7.8308 117.1596 57.3589 29.9667 175.9463 26 L 4.0381 7.5662 117.8279 54.6983 42.1031 176.8733 27 E 4.4973 8.3713 120.5594 56.1360 29.6281 175.0540 28 Y 4.9577 6.7220 116.2230 55.3932 41.3855 173.3687 29 D 4.9544 8.3396 118.9586 52.1862 42.7982 175.4034 30 G 4.2373 8.7079 106.6000 45.1401 0.0000 174.5011 31 V 3.5252 8.2835 116.4977 65.8271 31.5862 179.1771 32 R 3.8902 8.0525 117.3291 59.3172 29.9532 178.5632 33 A 4.0378 8.1476 119.6522 55.3220 18.3390 179.3543 34 S 4.0004 7.9745 113.6378 62.3501 62.8647 176.8901 35 H 4.0069 8.3637 118.7928 59.1026 28.3756 178.0101 36 T 3.6802 7.9223 117.4473 66.9222 68.0575 176.6681 37 M 4.0728 7.8067 119.2647 58.0679 32.2941 178.4767 38 A 3.9104 7.6382 120.9990 54.8882 18.3406 179.1187 39 Q 2.6837 6.7591 118.2730 59.3732 28.6772 178.8074 40 T 3.8539 7.4147 115.0934 67.0011 68.9156 175.6309 41 D 4.6322 7.8427 117.7652 55.4793 40.9807 178.3884 42 A 4.5502 8.0104 122.5463 54.8063 18.1178 179.9506 43 G 3.5930 8.0727 103.4824 48.2823 0.0000 175.6919 44 R 4.1137 8.0913 121.0024 58.9673 30.0240 178.7109 45 M 4.3441 8.3805 117.9743 58.5518 32.3037 177.7750 46 E 3.9480 8.0794 119.1132 59.6679 29.4553 179.1781 47 K 3.5502 7.2538 116.7526 59.1003 32.2667 177.2758 48 Y 4.3613 7.6331 114.5718 57.4102 38.2152 177.2259 49 K 4.1271 7.7935 122.1094 59.8412 32.2740 178.6223 50 S 4.1229 7.8764 114.5786 61.6609 62.8262 176.3999 51 F 4.5200 8.0382 119.8412 60.9296 38.6813 177.5507 52 I 3.8242 8.3644 119.5806 64.7323 36.9712 178.3360 53 N 4.4557 8.6557 117.4811 56.2356 38.4619 177.3694 54 N 4.3765 8.3104 118.0309 56.3634 38.7196 177.6891 55 V 3.6422 8.0942 119.4454 65.7775 31.6414 177.6104 56 A 4.1467 8.2629 120.9791 55.2893 18.0664 179.7562 57 K 3.9562 8.1495 117.1193 60.0157 32.3829 179.0731 58 K 3.8879 7.8047 119.5275 59.1368 32.2379 177.5569 59 H 4.6647 8.2283 112.7435 54.3306 30.0766 174.7870 60 V 3.3463 7.4476 119.8477 64.1469 30.0881 172.5009 61 V 4.6026 7.9249 117.3871 60.5833 34.9410 174.2153 62 D 4.4626 8.7639 125.8342 53.8659 41.6160 174.9901 63 P 4.3342 0.0000 0.0000 65.8774 31.2508 178.3735 64 A 4.0164 8.7272 119.7902 55.0494 18.2866 179.8612 65 V 3.5477 7.8954 116.7800 66.1519 31.5528 178.3047 66 I 3.5766 7.7113 118.8361 64.3006 36.9433 178.0210 67 A 3.5058 7.8178 121.2829 54.8798 17.8854 179.5376 68 A 4.1250 7.8676 119.1966 55.3779 18.3929 179.8374 69 I 3.5782 7.6692 118.2756 64.6372 37.1573 178.6768 70 I 3.8285 7.8398 120.6892 64.3878 36.9576 178.4155 71 S 4.1619 8.3838 114.3359 61.4564 62.0471 176.2715 72 R 3.8742 8.0424 120.4243 59.4480 29.8994 177.9898 73 E 4.3589 8.4153 117.9278 58.4786 30.0427 177.6615 74 S 4.6078 7.9388 109.4316 56.6741 64.4965 174.1973 75 R 4.5609 8.9676 117.3148 56.1453 28.1743 175.5740 76 A 3.7031 8.8991 115.2128 53.0716 15.9181 178.1370 77 G 4.0867 8.2127 113.7950 47.3664 0.0000 174.8958 78 N 4.2536 8.1294 120.3129 53.2624 38.5513 174.8163 *92 Y 4.7189 7.6757 111.2881 56.8618 39.9588 175.7694 93 N 4.4025 8.2166 119.9998 55.6380 40.0589 175.4942 94 G 4.0997 8.1040 105.7281 45.7861 0.0000 173.0122 95 F 4.8121 9.6004 126.2873 57.3944 42.6656 175.8887 96 G 3.3969 8.1112 113.1123 44.0628 0.0000 173.2310 97 L 4.0424 7.8813 117.7532 57.5857 41.4826 178.4937 98 M 4.5329 8.2879 114.2718 54.2520 33.3036 175.3941 99 Q 3.5592 7.9627 117.1246 56.9113 26.7424 174.3192 100 V 3.7400 8.0737 118.6079 63.1457 33.6725 175.5093 101 D 5.1798 8.7811 127.8506 53.4658 41.4394 176.4708 102 K 4.6587 8.8094 126.1945 58.0523 32.4346 178.7182 103 R 3.7058 7.9940 120.4114 58.5105 29.9103 176.8536 104 Y 4.8093 7.4922 112.2221 57.8198 39.9350 175.2129 105 H 4.8173 7.6459 116.0233 54.0479 32.8739 172.4737 106 E 4.4308 8.5640 122.3832 54.1497 28.9896 174.5710 107 P 4.4244 0.0000 0.0000 62.7611 31.8336 176.3192 108 R 4.4291 9.1234 121.8527 55.4910 32.2934 176.4418 109 G 3.9269 8.7951 107.4979 44.4718 0.0000 172.6187 110 A 4.4714 8.2415 121.0433 51.1722 19.2201 178.6377 111 W 3.8377 9.1725 117.1562 58.6062 28.0407 176.9218 112 N 4.5677 6.8410 115.7520 51.7324 37.2615 174.8822 113 S 4.4796 7.6115 113.4899 57.9595 66.1467 173.2795 114 E 3.5214 7.4067 122.9770 59.6218 29.1873 179.0053 115 E 3.9178 7.8878 117.8408 59.5603 29.5313 178.7719 116 H 4.3216 8.4488 118.3380 59.4555 30.0240 177.3378 117 I 3.6030 7.6343 121.5825 64.2651 36.8573 177.8194 118 D 4.3331 8.4173 119.1745 57.4906 41.1498 177.9956 119 Q 3.9440 8.0168 119.6140 59.2801 28.9618 178.3166 120 A 4.1167 8.0789 121.6214 55.6173 18.3668 179.8189 121 T 3.8736 8.1599 114.4466 66.5389 68.3881 177.3211 122 G 3.4928 7.9814 107.8695 47.5286 0.0000 176.0235 123 I 3.6078 7.7725 122.1343 63.9483 37.0812 177.8525 124 L 4.2556 8.3045 121.5322 58.5782 41.8356 179.1048 125 V 3.3219 7.8981 117.8857 66.1461 31.3757 177.3707 126 N 4.1515 8.2090 116.0966 56.7525 38.4203 177.3861 127 F 4.4011 7.9736 118.6612 60.3744 39.0078 177.8763 128 I 3.7844 8.0531 119.8616 64.4983 36.7724 178.4842 129 Q 4.0338 8.0776 118.9084 58.7308 28.5510 178.6770 130 L 3.9329 7.9535 119.9939 57.9741 41.6722 179.6584 131 I 3.7334 7.9131 119.6444 64.5098 37.1022 178.4330 132 Q 4.0514 8.2351 118.8598 59.0432 28.2853 179.2650 133 K 4.0643 7.6417 118.2924 59.1027 32.2108 179.0726 134 K 3.8030 7.6848 119.1637 57.7342 33.6428 177.0705 135 F 4.6569 7.7908 117.4513 55.0437 38.5559 174.0454 136 P 4.6040 0.0000 0.0000 64.2210 31.9831 178.4922 137 S 4.4700 8.0059 112.3518 59.3382 63.7227 174.5793 138 W 4.5820 8.0022 121.6410 56.1703 29.5794 176.6584 139 S 4.4603 8.6873 116.6050 58.4513 64.4841 175.6808 140 T 4.1347 8.4527 118.8416 66.9842 68.2453 176.7353 141 E 4.0549 8.1785 119.9631 59.5646 29.5975 179.2569 142 Q 4.0142 8.1377 118.1304 59.0830 28.6743 178.8807 143 Q 4.4628 8.6183 119.2526 58.8424 28.7554 178.5476 144 L 4.0300 8.1841 121.5913 57.9482 42.2049 178.7883 145 K 4.0939 8.2421 119.6498 59.7600 32.1892 179.0140 146 G 3.9494 8.7049 105.5758 47.7056 0.0000 175.5518 147 A 4.1853 8.1735 123.1362 54.9964 18.4703 179.7082 148 I 3.7453 8.0394 118.1788 64.4962 37.2032 178.3867 149 A 4.0972 8.2676 121.3276 55.3432 18.2298 179.6035 150 A 3.6465 8.0244 119.1156 55.1309 18.0954 178.9749 151 Y 3.4291 7.5363 117.5277 60.5705 38.7443 177.9006 152 N 4.0039 6.9171 116.2770 55.9365 39.2539 176.0682 153 T 4.3183 7.5613 110.0798 60.1851 69.1436 174.4265 154 G 4.0458 7.7993 106.8767 46.1943 0.0000 174.5317 155 D 4.4364 8.7542 120.1022 55.8581 39.8044 178.9189 156 G 3.6453 8.1749 108.0296 48.0947 0.0000 174.0486 157 R 4.3260 7.8176 116.5890 55.6690 30.1835 176.0855 158 V 4.3173 7.6691 119.1119 61.5605 31.8349 174.8473 159 E 4.8078 8.7412 126.8170 56.9622 31.3846 175.8860 160 S 4.7765 7.5957 110.6440 57.5290 66.0303 174.2743 161 Y 3.7246 8.6315 121.3062 60.5919 38.5833 177.2569 162 E 3.7739 8.2395 117.6282 58.6675 29.7155 177.9449 163 S 4.7086 7.8645 112.1578 57.6541 63.4083 176.1245 164 V 3.6268 7.3360 122.9557 65.5399 30.8654 176.6765 165 D 4.7760 7.8879 117.6423 53.7693 41.0411 178.1635 166 S 4.1607 8.2057 115.6370 60.4949 63.0468 175.3007 167 R 4.5987 7.9420 118.8468 55.8960 30.7647 175.2713 168 T 4.5179 7.7343 108.6452 59.6752 71.1168 174.0887 169 T 3.9702 8.2743 118.7749 65.6554 68.7038 175.6271 170 G 4.0390 8.9328 113.8075 44.6294 0.0000 173.1769 171 K 4.1931 8.1618 117.9781 56.9015 30.3435 176.2227 172 D 4.7193 7.8464 111.3658 53.6112 41.4896 176.1831 173 Y 3.9144 8.4662 122.5646 61.5631 38.6947 178.5942 174 S 4.2185 9.1864 115.4022 61.1814 63.3683 176.0044 175 N 4.2580 8.8369 120.6147 56.1734 38.2438 176.6505 176 D 4.3537 8.2434 120.8765 56.8530 41.3237 178.2309 177 V 3.4491 7.5807 118.6489 66.1078 31.3392 178.1491 178 V 3.6013 7.9450 117.5629 65.9867 31.3723 177.9112 179 A 4.0633 7.9531 120.2704 55.1990 18.1817 179.8149 180 R 3.8410 8.4240 116.8286 59.3308 30.0256 179.1879 181 A 4.3612 8.4764 121.0818 55.3706 18.2705 179.7362 182 Q 3.9864 8.6035 117.0142 58.6660 28.4909 178.8595 183 W 3.8789 8.0033 128.8568 60.6611 30.9323 177.4134 184 Y 4.6066 8.2985 116.8400 60.9816 37.0756 178.2343 185 K 4.0293 8.3569 120.3748 59.0302 32.2923 177.8719 186 K 4.4090 7.1998 116.2498 56.5124 33.0385 176.3262 187 N 4.6890 8.3481 117.1790 53.7080 39.4986 175.2482 188 G 3.9145 8.5938 105.1264 45.2403 0.0000 174.5674 189 F 4.3178 8.0277 122.9671 57.4907 39.4236 175.1700 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 3 V 7.90 4.08 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 0.73 0.00 0.00 0.93 0.00 0.00 4 G 8.49 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 0.00 0.00 0.00 5 Y 9.59 3.86 0.00 3.22 3.04 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 6 G 7.77 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 7 D 9.72 4.62 0.00 2.67 2.69 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 8 I 8.47 3.92 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.11 1.00 0.00 0.00 9 T 8.07 4.03 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 1.23 0.00 0.00 10 Q 8.38 4.53 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 11 V 7.26 4.12 2.13 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 0.84 0.00 0.00 1.09 0.00 0.00 12 E 8.61 4.36 0.00 2.09 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 0.00 2.33 2.27 0.00 13 T 8.10 4.61 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 1.25 0.00 0.00 14 S 8.77 4.57 0.00 4.00 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 15 G 8.16 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.08 4.35 1.26 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 0.00 0.00 0.00 17 S 8.83 4.73 0.00 4.04 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 18 S 8.45 4.08 0.00 3.87 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 19 K 7.91 3.84 0.00 1.73 1.83 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.50 7.81 20 T 7.64 4.04 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 1.29 0.00 0.00 21 S 8.15 4.06 0.00 3.91 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.01 4.00 0.00 1.99 1.98 0.00 3.09 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 23 Q 7.99 4.07 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 24 D 7.66 4.71 0.00 2.52 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 25 K 7.83 3.84 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.51 7.81 26 L 7.57 4.04 0.00 1.41 0.78 0.81 0.37 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 27 E 8.37 4.50 0.00 2.03 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 2.23 2.24 0.00 28 Y 6.72 4.96 0.00 3.01 2.87 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 29 D 8.34 4.95 0.00 2.89 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 30 G 8.71 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 31 V 8.28 3.53 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 0.98 0.00 0.00 0.93 0.00 0.00 32 R 8.05 3.89 0.00 1.94 1.87 0.00 2.90 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 33 A 8.15 4.04 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 34 S 7.97 4.00 0.00 3.96 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 35 H 8.36 4.01 0.00 3.29 3.31 0.00 5.64 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 36 T 7.92 3.68 4.39 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 0.00 0.00 1.19 0.00 0.00 37 M 7.81 4.07 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 38 A 7.64 3.91 0.55 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 0.00 0.00 39 Q 6.76 2.68 0.00 1.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 40 T 7.41 3.85 4.39 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 0.00 0.00 1.19 0.00 0.00 41 D 7.84 4.63 0.00 2.96 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 42 A 8.01 4.55 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 0.00 0.00 0.00 0.00 0.00 43 G 8.07 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.09 4.11 0.00 2.11 2.31 0.00 3.38 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 45 M 8.38 4.34 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 1.99 0.00 46 E 8.08 3.95 0.00 2.06 1.98 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 2.37 2.68 0.00 47 K 7.25 3.55 0.00 1.46 1.06 0.00 1.52 0.00 0.00 1.00 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.73 1.13 7.81 48 Y 7.63 4.36 0.00 3.07 2.98 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 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0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.62 7.81 58 K 7.80 3.89 0.00 1.81 2.06 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.20 1.41 7.81 59 H 8.23 4.66 0.00 3.36 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.45 3.35 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 0.58 0.00 0.00 0.93 0.00 0.00 61 V 7.92 4.60 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 0.87 0.00 0.00 1.13 0.00 0.00 62 D 8.76 4.46 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.43 2.37 0.00 3.74 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 64 A 8.73 4.02 1.56 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 65 V 7.90 3.55 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 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0.00 0.00 0.00 0.00 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 8.11 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.88 4.04 0.00 1.61 1.67 0.03 0.59 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 98 M 8.29 4.53 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 99 Q 7.96 3.56 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 100 V 8.07 3.74 2.36 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 1.04 0.00 0.00 1.08 0.00 0.00 101 D 8.78 5.18 0.00 2.82 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 0.00 102 K 8.81 4.66 0.00 1.68 1.87 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.53 1.08 7.81 103 R 7.99 3.71 0.00 0.67 1.10 0.00 2.89 0.00 0.00 3.17 7.35 0.00 0.00 0.00 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1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.16 3.87 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 1.17 0.00 0.00 122 G 7.98 3.49 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 0.00 123 I 7.77 3.61 2.18 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 1.02 0.62 0.93 0.00 0.00 124 L 8.30 4.26 0.00 1.72 1.90 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.90 3.32 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 0.94 0.00 0.00 0.94 0.00 0.00 126 N 8.21 4.15 0.00 2.70 2.55 0.00 0.00 7.08 7.92 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 0.00 127 F 7.97 4.40 0.00 3.37 3.09 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 0.00 128 I 8.05 3.78 1.72 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.06 0.75 0.00 0.00 129 Q 8.08 4.03 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 130 L 7.95 3.93 0.00 1.92 1.74 0.85 0.72 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 0.00 131 I 7.91 3.73 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.22 1.06 0.00 0.00 132 Q 8.24 4.05 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.66 2.79 0.00 133 K 7.64 4.06 0.00 1.80 1.78 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.55 7.81 134 K 7.68 3.80 0.00 1.52 1.18 0.00 1.49 0.00 0.00 1.30 0.00 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.94 7.81 135 F 7.79 4.66 0.00 1.77 1.45 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 0.00 136 P 0.00 4.60 0.00 2.18 2.15 0.00 3.32 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 137 S 8.01 4.47 0.00 4.12 4.13 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 0.00 138 W 8.00 4.58 0.00 3.41 3.07 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 0.00 139 S 8.69 4.46 0.00 4.08 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 0.00 140 T 8.45 4.13 4.31 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 1.33 0.00 0.00 141 E 8.18 4.05 0.00 2.06 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 0.00 2.43 2.61 0.00 142 Q 8.14 4.01 0.00 2.16 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 143 Q 8.62 4.46 0.00 2.50 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.81 0.00 144 L 8.18 4.03 0.00 2.05 1.93 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.24 4.09 0.00 2.03 2.15 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.52 7.81 146 G 8.70 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 0.00 147 A 8.17 4.19 1.51 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 0.00 148 I 8.04 3.75 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 1.07 0.00 0.00 149 A 8.27 4.10 1.48 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 0.00 0.00 150 A 8.02 3.65 1.17 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 0.00 0.00 151 Y 7.54 3.43 0.00 2.92 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 6.92 4.00 0.00 1.44 2.26 0.00 0.00 6.97 7.58 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 0.00 153 T 7.56 4.32 4.12 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 1.15 0.00 0.00 154 G 7.80 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 0.00 0.00 0.00 155 D 8.75 4.44 0.00 2.90 3.14 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 0.00 156 G 8.17 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 7.82 4.33 0.00 2.08 1.95 0.00 3.12 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 158 V 7.67 4.32 2.27 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 0.98 0.00 0.00 1.02 0.00 0.00 159 E 8.74 4.81 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 160 S 7.60 4.78 0.00 4.06 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 0.00 161 Y 8.63 3.72 0.00 1.49 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 0.00 162 E 8.24 3.77 0.00 1.97 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 2.32 2.34 0.00 163 S 7.86 4.71 0.00 3.99 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 0.00 164 V 7.34 3.63 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 0.50 0.00 0.00 1.03 0.00 0.00 165 D 7.89 4.78 0.00 2.70 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 0.00 166 S 8.21 4.16 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.94 4.60 0.00 1.78 1.93 0.00 3.36 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 168 T 7.73 4.52 4.30 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 1.22 0.00 0.00 169 T 8.27 3.97 4.37 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 1.27 0.00 0.00 170 G 8.93 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 0.00 171 K 8.16 4.19 0.00 1.86 1.88 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.36 7.81 172 D 7.85 4.72 0.00 2.81 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 0.00 173 Y 8.47 3.91 0.00 3.16 3.03 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 0.00 174 S 9.19 4.22 0.00 4.16 4.38 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 0.00 175 N 8.84 4.26 0.00 2.98 3.09 0.00 0.00 6.56 7.64 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 0.00 176 D 8.24 4.35 0.00 2.75 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 0.00 177 V 7.58 3.45 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 0.92 0.00 0.00 0.38 0.00 0.00 178 V 7.94 3.60 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 1.08 0.00 0.00 0.98 0.00 0.00 179 A 7.95 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 8.42 3.84 0.00 2.03 2.03 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 181 A 8.48 4.36 1.45 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 0.00 0.00 182 Q 8.60 3.99 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 183 W 8.00 3.88 0.00 3.03 3.03 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 0.00 184 Y 8.30 4.61 0.00 3.35 3.09 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 0.00 185 K 8.36 4.03 0.00 1.94 2.09 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 186 K 7.20 4.41 0.00 1.71 1.76 0.00 1.47 0.00 0.00 1.52 0.00 0.00 2.64 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.40 1.21 7.81 187 N 8.35 4.69 0.00 1.77 2.28 0.00 0.00 7.12 8.49 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 0.00 188 G 8.59 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 0.00 189 F 8.03 4.32 0.00 3.22 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 * Residues marked with a * may have inaccurate shift predictions.