NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3198 8.0327 117.3725 63.1403 70.5060 175.3518 4 D 4.1423 7.9846 121.1532 56.7931 41.0820 176.3694 5 Q 3.9892 8.7996 119.7191 58.9629 28.9843 177.8556 6 Q 3.9605 7.6431 117.7629 59.3093 28.8554 178.2650 7 A 4.0547 7.8239 122.1439 54.3217 18.2713 178.9736 8 E 3.8379 8.1342 113.6748 59.6162 29.3593 179.0526 9 A 3.8814 7.7825 120.4021 54.8358 18.7049 178.8883 10 R 4.0373 8.2423 115.6790 57.5404 30.1175 178.4593 11 A 4.0050 7.9167 120.5754 55.4696 18.5291 178.6706 12 F 4.3180 8.2899 117.3893 60.3698 39.3166 175.4389 13 L 4.2726 7.1924 118.0702 54.5133 41.7640 176.4599 14 S 4.9265 8.3694 119.3751 56.4839 65.3393 175.1793 15 E 3.9016 8.8316 122.3050 59.9619 29.1964 179.3020 16 E 4.2272 8.1261 115.2001 57.8066 30.1333 176.3112 17 M 4.9425 8.2758 117.6849 55.2101 33.0737 175.3480 18 I 4.8954 7.7800 116.3068 61.4888 40.9907 176.7916 19 A 4.5067 7.5668 117.8043 52.7784 19.4411 177.9589 20 E 4.2638 8.1358 115.5551 58.9453 30.1576 179.6062 21 F 4.8075 8.2357 112.2672 58.2092 38.5626 176.3311 22 K 3.9520 8.9145 120.7422 56.2273 32.9147 177.6183 23 A 4.3091 8.4747 130.5169 54.9287 19.3549 178.6725 24 A 4.4728 7.9453 118.0959 53.9803 20.0230 178.7835 25 F 4.2807 8.3543 117.8390 61.5408 39.7589 176.6450 26 D 4.9154 8.2874 120.2743 56.7664 40.2450 178.6046 27 M 4.0382 7.5928 114.6438 56.1151 31.1745 176.8378 28 F 4.6867 9.5247 119.3056 57.3112 41.6366 174.8457 29 D 4.9538 7.0736 119.7271 54.2911 43.1589 175.0604 30 A 4.7408 7.3974 117.4724 51.0023 20.8327 176.2721 31 D 5.3179 9.2314 131.8508 60.9886 43.2285 179.6897 32 G 3.6292 7.1996 102.3692 48.2692 0.0000 174.5081 33 G 4.8677 8.9128 127.0700 44.9308 0.0000 167.1934 34 G 3.9980 9.2647 116.4734 45.3270 0.0000 171.7805 35 D 4.5796 8.9388 128.2294 53.1988 47.2260 176.5431 36 I 3.8237 9.1626 125.2867 62.9643 39.2981 171.6884 *38 S 4.7929 8.0690 119.4947 59.0340 63.8041 174.0939 39 T 4.8743 8.3537 108.5980 62.5911 70.1302 173.4809 40 K 4.6307 7.9880 120.0981 56.5923 32.2560 177.3131 41 E 4.6209 7.7079 115.9352 56.0218 30.7765 177.4415 42 L 4.6998 8.2634 124.1925 57.2631 42.6114 178.4549 43 G 3.6345 7.9955 106.6139 47.2551 0.0000 175.3583 44 T 4.1390 7.8929 114.5818 64.9518 68.6832 174.9121 45 V 4.3014 7.2389 120.5440 63.3798 33.8518 177.3662 46 M 4.2822 7.8606 119.5977 58.8206 31.5084 178.8943 47 R 4.2566 7.6899 117.8588 58.7277 30.0322 178.5507 48 M 4.2534 7.5339 116.3102 56.8309 32.1096 176.5935 49 L 4.7227 7.9501 116.5190 53.9120 44.1634 176.8309 50 G 4.0651 9.6119 108.6211 45.8526 0.0000 174.2013 51 Q 4.4275 8.1890 119.2376 53.7523 30.0992 174.2579 52 N 4.7840 8.4277 122.1628 50.6881 36.2464 171.3033 53 P 4.4492 0.0000 0.0000 62.3741 31.9987 176.9563 54 T 3.9349 8.4572 113.9666 61.4571 69.1005 174.4084 55 K 4.2656 8.5090 118.9982 57.5475 32.4012 177.9354 56 E 4.4958 7.8855 118.5326 56.2396 29.6769 175.5126 57 E 4.8572 8.0310 116.5323 56.3659 30.9696 175.9521 58 L 4.7100 7.8321 118.6091 55.2149 45.6319 176.1548 59 D 4.5857 8.2774 117.9258 55.9270 41.7662 178.6625 60 A 4.1013 7.9931 121.9158 55.1099 18.6341 179.0373 61 I 3.9729 7.7847 113.6438 62.9740 37.2308 176.4826 62 I 4.3391 7.1397 118.9877 61.6910 38.5786 176.3863 63 E 4.3321 8.2272 118.2104 56.8011 29.8770 176.3933 64 E 4.4239 8.0989 118.2514 56.7819 31.2566 176.3032 65 V 3.9415 7.5416 110.5355 61.1920 32.8202 170.9982 66 D 4.6578 9.1239 129.9617 54.2521 41.5341 173.7252 67 E 4.7337 8.6951 122.2005 56.2572 32.3182 175.2632 68 D 4.6795 8.0119 118.9735 52.9479 40.7070 177.1356 69 G 4.0985 8.4791 106.6857 45.3487 0.0000 175.4337 70 S 4.1020 9.0805 114.6020 59.3849 63.1224 174.4291 71 G 4.0831 7.6797 108.9230 46.1085 0.0000 171.7838 72 T 5.1157 7.0295 106.8690 62.1798 72.0558 173.2513 73 I 4.0606 7.7393 117.3779 61.0886 40.6894 174.4105 74 D 5.1138 8.6139 132.8626 52.6705 41.9690 176.6524 75 F 4.4745 8.6020 125.1658 58.9878 38.8182 176.7809 76 E 4.2251 8.1696 119.0335 57.4293 30.3456 176.3961 77 E 4.4235 8.0505 118.8014 56.8420 29.4732 177.7087 78 F 4.5117 7.2706 122.3003 59.9600 39.7525 176.8251 79 L 3.1291 7.3787 118.3638 55.6676 41.8953 178.3785 80 V 3.7198 8.2289 121.9432 65.4800 31.7707 177.1933 81 M 4.6494 7.5094 116.7536 55.7459 31.7109 175.9113 82 M 4.7293 7.1853 117.3435 54.9621 33.2368 176.6382 83 V 4.2055 7.7209 116.2753 64.5732 34.9100 175.6839 84 R 4.4043 7.9464 115.1781 56.4014 30.2867 176.9026 85 Q 4.3872 7.3366 118.0609 54.5925 29.0200 174.3691 *96 E 4.3901 7.8940 118.5287 55.8420 31.9319 177.6537 97 L 4.5504 8.1432 116.9305 55.7524 42.0173 176.9958 98 A 4.9750 7.9885 120.4041 53.0096 20.0138 178.3056 99 N 4.5154 7.7620 114.1805 55.7586 38.8996 176.6663 100 C 3.3969 8.5019 117.9177 63.3389 28.3234 176.3210 101 F 3.7441 8.3365 121.3976 61.2235 38.4433 177.0564 102 R 3.3682 8.7593 119.6273 58.8469 30.0416 177.4546 103 I 4.1514 7.2987 115.4972 61.5419 37.6448 175.2943 104 F 5.0166 7.6632 117.2661 59.3563 40.9649 175.9709 105 D 4.0178 9.2915 121.1379 57.8663 40.7553 177.6674 106 K 3.9175 7.3926 114.7671 60.6649 29.8595 171.8588 107 N 3.7931 9.8746 130.4557 51.7127 34.8278 175.4728 108 A 3.6495 7.7805 122.7143 52.4030 17.3179 178.1618 109 D 4.6176 7.9957 115.1174 52.6545 39.4071 178.4367 110 G 3.0547 7.2990 105.9058 47.7321 0.0000 173.6520 111 F 5.1043 8.1250 117.6475 56.1085 41.9937 175.5755 112 I 4.7435 8.2620 119.6275 60.5518 40.4569 174.4895 113 D 5.4715 8.3944 129.5307 51.5769 42.5764 176.4818 114 I 3.6544 8.4899 116.6677 64.7500 38.3438 178.6641 115 E 3.9157 8.3618 120.1820 59.2631 29.5558 177.9262 116 E 4.0004 8.0840 118.5773 59.6594 29.5491 179.2385 117 L 4.0155 7.7026 119.3940 58.1018 41.8585 178.9117 118 G 4.0371 7.7759 104.3787 48.7943 0.0000 174.5489 119 E 3.8603 10.0310 120.6590 59.1524 29.2862 178.9910 120 I 3.9896 9.1337 119.1300 64.5714 38.1847 177.5851 121 L 4.2598 8.6597 118.7945 56.1253 42.0501 176.6848 122 R 4.4651 9.1562 116.1369 56.5371 31.3214 175.2087 123 A 4.5639 8.0903 118.9807 52.9045 19.4960 176.6815 124 T 4.8372 7.5711 112.3937 60.9683 69.6263 173.3999 125 G 3.9950 8.6045 106.9630 45.5036 0.0000 172.9903 126 E 4.3726 7.8872 120.9137 54.8295 30.7405 175.2365 127 H 4.3853 8.5897 125.3439 56.7063 30.5318 174.4094 128 V 5.0734 7.9845 116.6694 61.7043 35.6378 172.5800 129 T 4.6724 8.0125 113.3784 60.5592 70.1994 173.7227 130 E 4.1693 8.8256 123.4140 57.6283 29.4752 176.7538 131 E 4.5587 8.2211 116.6492 57.6526 30.1866 176.8374 132 D 4.5273 8.8733 119.1222 55.9042 41.5241 178.3772 133 I 3.7810 7.5654 120.5095 63.7570 37.6611 177.4620 134 E 4.0651 8.1123 113.7193 57.4802 29.3606 176.4850 135 D 4.6547 8.1126 120.5969 55.8829 42.9800 178.2569 136 L 3.9253 7.5079 118.8141 58.2228 40.8330 178.4678 137 M 4.0338 8.0997 117.6213 58.0637 32.1776 176.6817 138 K 4.2243 7.5194 118.5162 56.3723 32.0566 176.2833 139 D 4.7789 8.1449 116.3436 53.9641 43.0226 176.5281 140 S 4.4945 8.0460 113.1187 59.6208 64.2232 174.3730 141 D 5.4141 7.0749 119.1606 51.6922 38.5756 175.2859 142 K 3.8257 7.7045 120.8614 58.6724 33.0066 178.4077 143 N 3.8983 7.7931 119.8438 54.2001 37.6236 170.4701 144 N 4.3352 9.4750 124.1012 53.4930 37.4384 171.9450 145 D 4.7437 9.6679 125.8225 52.7126 47.3800 175.4571 146 G 3.8727 7.1128 115.1421 44.5078 0.0000 172.0235 147 R 5.3284 7.6746 119.6978 55.8837 34.1771 175.0074 148 I 4.5592 8.4786 122.5867 61.0325 39.5651 174.7023 149 D 4.9308 8.9331 127.0645 53.2280 39.6983 176.3036 150 F 3.6435 9.4087 122.2111 61.5332 39.7153 176.9186 151 D 4.4234 8.5442 119.9087 57.6474 40.7974 178.1208 152 E 4.4684 10.7800 116.7174 56.6275 29.3773 177.6286 153 F 4.6421 8.6782 122.6347 58.3754 40.4408 176.2696 154 L 4.2355 7.1102 114.7161 54.7935 42.1632 177.1917 155 K 4.1942 7.5987 119.1880 58.0875 33.1694 177.5525 156 M 4.1925 7.5943 116.8542 58.3148 31.3832 177.9857 157 M 3.9880 7.3504 114.8756 55.2809 31.7324 175.4413 158 E 4.1656 7.7672 120.6401 56.5720 30.4955 176.6913 159 G 3.8662 8.9107 113.8586 45.0837 0.0000 173.2714 160 V 3.7552 7.3586 119.0548 63.2293 31.8437 175.5349 161 Q 3.5744 8.2808 125.4669 56.2272 28.4187 175.0990 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 T 8.03 4.32 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 1.24 0.00 0.00 4 D 7.98 4.14 0.00 2.81 2.65 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 5 Q 8.80 3.99 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 6 Q 7.64 3.96 0.00 2.03 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 7 A 7.82 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.13 3.84 0.00 2.19 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 2.43 2.44 0.00 9 A 7.78 3.88 1.34 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 0.00 0.00 10 R 8.24 4.04 0.00 1.86 1.87 0.00 3.06 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 11 A 7.92 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.29 4.32 0.00 2.96 2.88 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 13 L 7.19 4.27 0.00 1.87 1.62 0.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.37 4.93 0.00 3.94 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 15 E 8.83 3.90 0.00 2.06 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 2.45 2.38 0.00 16 E 8.13 4.23 0.00 1.92 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 2.29 2.38 0.00 17 M 8.28 4.94 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 18 I 7.78 4.90 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 1.12 0.00 0.00 19 A 7.57 4.51 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.14 4.26 0.00 1.98 1.81 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 2.31 2.29 0.00 21 F 8.24 4.81 0.00 3.50 3.56 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 22 K 8.91 3.95 0.00 1.64 1.59 0.00 1.68 0.00 0.00 1.44 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.24 1.58 7.81 23 A 8.47 4.31 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 24 A 7.95 4.47 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 25 F 8.35 4.28 0.00 2.65 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 26 D 8.29 4.92 0.00 2.63 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 27 M 7.59 4.04 0.00 1.88 1.93 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 2.76 2.53 0.00 28 F 9.52 4.69 0.00 2.63 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 29 D 7.07 4.95 0.00 2.60 2.50 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 0.00 0.00 0.00 0.00 30 A 7.40 4.74 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 31 D 9.23 5.32 0.00 2.73 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 32 G 7.20 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 33 G 8.91 4.87 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 0.00 34 G 9.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.94 4.58 0.00 2.71 2.25 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 36 I 9.16 3.82 1.81 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.88 0.89 0.00 0.00 *38 S 8.07 4.79 0.00 4.11 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 39 T 8.35 4.87 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 1.27 0.00 0.00 40 K 7.99 4.63 0.00 1.77 1.86 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.40 7.81 41 E 7.71 4.62 0.00 1.60 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 2.25 2.10 0.00 42 L 8.26 4.70 0.00 1.92 1.81 1.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.00 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 44 T 7.89 4.14 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 45 V 7.24 4.30 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 1.32 0.00 0.00 0.34 0.00 0.00 46 M 7.86 4.28 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.73 0.00 47 R 7.69 4.26 0.00 1.92 2.00 0.00 3.17 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 48 M 7.53 4.25 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 49 L 7.95 4.72 0.00 1.84 1.69 1.21 1.10 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 50 G 9.61 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 0.00 0.00 0.00 0.00 51 Q 8.19 4.43 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 52 N 8.43 4.78 0.00 2.84 2.87 0.00 0.00 6.31 7.75 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 53 P 0.00 4.45 0.00 2.53 2.15 0.00 3.75 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 54 T 8.46 3.93 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 1.36 0.00 0.00 55 K 8.51 4.27 0.00 1.90 1.89 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.49 7.81 56 E 7.89 4.50 0.00 1.94 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 2.27 2.42 0.00 57 E 8.03 4.86 0.00 2.10 1.88 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 2.24 2.23 0.00 58 L 7.83 4.71 0.00 1.90 1.67 0.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.28 4.59 0.00 2.96 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 60 A 7.99 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.78 3.97 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 0.96 0.00 0.00 62 I 7.14 4.34 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.94 0.00 0.00 63 E 8.23 4.33 0.00 2.07 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 2.31 2.34 0.00 64 E 8.10 4.42 0.00 1.91 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 2.30 0.00 65 V 7.54 3.94 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 0.80 0.00 0.00 1.04 0.00 0.00 66 D 9.12 4.66 0.00 2.82 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 67 E 8.70 4.73 0.00 1.94 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 2.21 2.29 0.00 68 D 8.01 4.68 0.00 2.75 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 69 G 8.48 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.08 4.10 0.00 3.96 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 0.00 71 G 7.68 4.08 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 0.00 0.00 0.00 72 T 7.03 5.12 4.48 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 1.35 0.00 0.00 73 I 7.74 4.06 1.91 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 1.33 0.65 0.89 0.00 0.00 74 D 8.61 5.11 0.00 2.84 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 75 F 8.60 4.47 0.00 2.52 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.17 4.23 0.00 2.71 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 2.58 0.00 77 E 8.05 4.42 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 2.29 2.29 0.00 78 F 7.27 4.51 0.00 3.13 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 79 L 7.38 3.13 0.00 1.15 0.98 -0.35 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.23 3.72 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 0.91 0.00 0.00 0.84 0.00 0.00 81 M 7.51 4.65 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 82 M 7.19 4.73 0.00 1.30 1.16 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.99 0.00 83 V 7.72 4.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.85 0.00 0.00 84 R 7.95 4.40 0.00 1.83 1.93 0.00 3.19 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 85 Q 7.34 4.39 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 *96 E 7.89 4.39 0.00 2.16 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 2.33 2.38 0.00 97 L 8.14 4.55 0.00 1.74 1.85 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.99 4.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.76 4.52 0.00 3.00 2.81 0.00 0.00 7.12 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 0.00 100 C 8.50 3.40 0.00 3.61 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 3.74 0.00 2.25 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 0.00 102 R 8.76 3.37 0.00 1.68 2.01 0.00 3.05 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 103 I 7.30 4.15 1.37 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.68 0.00 0.00 104 F 7.66 5.02 0.00 3.26 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 0.00 105 D 9.29 4.02 0.00 1.58 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 0.00 106 K 7.39 3.92 0.00 1.99 2.06 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.38 7.81 107 N 9.87 3.79 0.00 2.93 3.12 0.00 0.00 6.34 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 0.00 108 A 7.78 3.65 1.39 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 0.00 0.00 0.00 109 D 8.00 4.62 0.00 2.94 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 0.00 110 G 7.30 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 0.00 0.00 0.00 111 F 8.12 5.10 0.00 3.08 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 0.00 112 I 8.26 4.74 2.05 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 1.04 0.00 0.00 113 D 8.39 5.47 0.00 2.81 2.95 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 0.00 114 I 8.49 3.65 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 1.30 1.20 0.92 0.00 0.00 115 E 8.36 3.92 0.00 2.09 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 2.39 2.41 0.00 116 E 8.08 4.00 0.00 2.04 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 2.36 2.37 0.00 117 L 7.70 4.02 0.00 1.84 1.90 0.84 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.78 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 0.00 119 E 10.03 3.86 0.00 2.34 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 2.36 2.36 0.00 120 I 9.13 3.99 2.02 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.92 0.00 0.00 121 L 8.66 4.26 0.00 1.63 1.83 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 122 R 9.16 4.47 0.00 2.03 2.01 0.00 3.36 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 123 A 8.09 4.56 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 0.00 124 T 7.57 4.84 4.41 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 1.26 0.00 0.00 125 G 8.60 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 0.00 0.00 0.00 126 E 7.89 4.37 0.00 1.93 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 2.26 2.36 0.00 127 H 8.59 4.39 0.00 3.13 3.16 0.00 5.81 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 0.00 128 V 7.98 5.07 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 0.82 0.00 0.00 1.07 0.00 0.00 129 T 8.01 4.67 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 1.32 0.00 0.00 130 E 8.83 4.17 0.00 1.95 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 2.30 2.40 0.00 131 E 8.22 4.56 0.00 1.94 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 2.24 2.38 0.00 132 D 8.87 4.53 0.00 2.80 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 0.00 133 I 7.57 3.78 1.87 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 1.47 0.97 0.93 0.00 0.00 134 E 8.11 4.07 0.00 2.07 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 2.44 2.29 0.00 135 D 8.11 4.65 0.00 2.69 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 0.00 136 L 7.51 3.93 0.00 1.67 1.62 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 137 M 8.10 4.03 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 138 K 7.52 4.22 0.00 1.70 1.94 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.36 7.81 139 D 8.14 4.78 0.00 2.60 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 0.00 140 S 8.05 4.49 0.00 3.91 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 0.00 141 D 7.07 5.41 0.00 2.91 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 0.00 142 K 7.70 3.83 0.00 1.77 1.77 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 143 N 7.79 3.90 0.00 2.82 2.99 0.00 0.00 6.01 8.04 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 0.00 144 N 9.48 4.34 0.00 2.85 2.95 0.00 0.00 6.97 8.95 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 0.00 145 D 9.67 4.74 0.00 2.53 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 0.00 146 G 7.11 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.67 5.33 0.00 1.69 1.92 0.00 2.81 0.00 0.00 2.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 148 I 8.48 4.56 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.43 1.18 0.00 0.00 149 D 8.93 4.93 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 9.41 3.64 0.00 2.51 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 0.00 151 D 8.54 4.42 0.00 3.48 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 0.00 152 E 10.78 4.47 0.00 2.23 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 0.00 2.34 2.31 0.00 153 F 8.68 4.64 0.00 3.05 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 0.00 154 L 7.11 4.24 0.00 1.46 1.48 0.73 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.60 4.19 0.00 1.65 1.74 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.48 7.81 156 M 7.59 4.19 0.00 2.21 2.21 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 2.44 2.42 0.00 157 M 7.35 3.99 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 158 E 7.77 4.17 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 2.23 2.33 0.00 159 G 8.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.36 3.76 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 0.84 0.00 0.00 0.94 0.00 0.00 161 Q 8.28 3.57 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.42 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.