NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5719 8.3149 120.0856 56.3971 33.5186 174.6832 6 I 4.4519 8.9651 126.2173 58.5318 41.0369 169.2361 7 V 4.7992 9.1007 126.2752 61.4962 34.1930 173.8942 8 L 4.8890 8.7589 128.0722 53.0541 44.0630 175.7257 9 K 4.4749 8.7813 124.8826 54.7948 32.8979 176.5621 10 S 4.6367 8.7243 120.7949 57.4336 64.1727 173.7992 11 S 4.4886 8.6707 114.7612 58.2278 62.9103 175.3440 12 D 4.2801 8.4369 118.2334 53.5328 39.5726 175.4981 13 G 3.9193 8.4452 107.6676 47.2484 0.0000 172.3528 14 E 4.5410 7.7096 119.5787 55.2751 32.9136 174.4838 15 S 4.7161 8.6205 120.6506 58.5246 64.2165 174.0002 16 F 4.5998 8.8986 121.3933 55.5152 42.1623 173.9441 17 E 4.4756 8.9363 126.0165 55.9761 29.9668 176.0813 18 V 4.6830 8.6408 119.9325 59.3330 36.4127 175.6380 19 E 4.3213 8.7173 122.4376 55.8408 29.1992 176.3405 20 E 3.8293 8.2677 118.5060 60.5530 29.0914 178.3826 21 A 4.1231 7.7105 123.6347 54.1011 19.2612 179.4893 22 V 3.6377 7.6532 116.8409 66.0301 32.0152 177.8109 23 A 4.1381 7.7953 119.7747 54.2785 17.9724 178.6406 24 L 4.2441 7.3353 114.9679 55.8732 42.0400 178.3096 25 E 4.2895 7.8641 118.4569 58.0317 29.6142 176.7832 26 S 4.3990 7.5060 113.6951 57.1045 62.1005 174.5892 27 Q 4.1042 8.5950 128.0221 58.4899 28.8364 179.1277 28 T 4.0124 7.7842 114.2769 66.2535 69.1575 176.4776 29 I 3.9339 7.6546 121.6121 63.2546 37.1315 178.3521 30 A 4.0827 8.0929 122.2779 55.3653 18.1777 178.9620 31 H 4.4206 7.9099 110.1227 57.0566 28.2676 175.5872 32 M 4.8157 7.5727 118.9512 55.3504 32.4353 176.6865 33 V 4.3746 7.7273 108.1160 60.9758 31.9391 176.8202 34 E 4.1752 7.4729 120.3723 58.8517 29.9075 177.2879 35 D 4.5476 8.3635 118.8900 56.6115 39.5801 178.2008 36 D 4.5137 6.8229 118.8684 57.4569 37.0871 175.3524 37 C 4.3546 8.3229 122.1591 60.7261 28.8703 175.8654 38 V 3.6857 7.8027 120.3290 65.3630 31.2597 177.1630 39 D 4.4182 8.2453 118.5135 57.2290 40.6434 177.1426 40 N 4.8580 8.1408 113.4736 52.4286 39.2146 173.7223 41 G 4.0950 8.2564 108.2919 45.0643 0.0000 174.5274 42 V 3.8119 8.4299 115.4615 60.4306 32.4934 174.1577 43 P 4.8847 0.0000 0.0000 62.2368 31.0166 175.5914 44 L 4.8672 8.8265 127.6177 52.1620 40.9715 174.3557 45 P 5.3245 0.0000 0.0000 63.6060 31.7181 176.9854 46 N 4.6525 8.3127 114.2738 53.3532 40.0682 174.3647 47 V 4.2947 7.3237 119.4868 60.7850 33.1514 175.0158 48 T 4.2983 8.3486 122.4302 61.8032 69.1519 174.5355 49 S 4.2202 8.7385 121.1385 60.7313 62.0419 176.3241 50 K 3.9954 8.1213 122.0435 59.5065 31.8406 178.7506 51 I 3.7447 7.6384 119.4481 64.3673 37.2270 177.5893 52 L 3.7768 8.0776 121.2110 58.2763 41.6820 178.7904 53 A 3.9973 7.8186 120.2577 55.4343 18.4705 179.8463 54 K 4.1795 7.7580 115.8938 59.5025 32.0686 179.8569 55 V 3.7373 8.1133 118.8977 66.1883 31.4973 178.1747 56 I 3.7372 8.0476 119.8198 64.2095 37.0300 177.8155 57 E 3.9547 8.4382 120.2528 59.5606 29.5526 178.3047 58 Y 3.9371 7.9226 118.9875 60.9499 38.9027 177.8586 59 C 4.0354 8.3689 117.5717 62.5483 28.0218 175.6181 60 K 3.7068 8.2887 120.3972 59.9652 31.7382 178.2880 61 R 3.6284 7.5321 117.9536 59.4882 29.6084 178.1655 62 H 4.0178 7.5795 115.1185 58.4494 29.0249 177.5904 63 V 3.7180 7.7380 120.1520 65.4999 31.0843 176.6343 64 E 4.1353 7.5205 115.9698 56.8660 29.1021 176.6892 65 A 4.5875 7.5173 119.0307 52.1045 18.9748 179.6235 66 A 3.8745 7.6677 121.9240 56.2290 18.8015 178.6145 67 A 3.9528 7.7045 122.7504 52.3777 18.4291 177.6112 68 S 4.3849 8.2632 118.5380 59.1587 64.1785 174.4280 *80 D 4.6745 8.5340 122.3705 54.5374 41.4659 177.5904 81 D 4.3601 8.0674 117.9634 57.4164 41.5144 177.5214 82 D 4.6240 8.0056 117.2305 56.1074 41.6527 178.5030 83 L 4.0043 7.9230 119.8661 57.8594 41.8740 179.3337 84 K 4.1025 8.2314 117.3273 58.9990 31.8895 179.0872 85 A 4.0180 7.4684 119.4749 54.8546 18.4774 179.2840 86 W 4.1937 8.2823 126.6150 60.7492 30.8614 177.5703 87 D 4.5140 9.1057 118.8657 57.7156 40.1629 178.5941 88 A 4.0175 7.7441 119.4677 55.6087 18.1995 178.9218 89 D 4.3342 8.2294 116.0825 57.0387 41.0490 178.1971 90 F 4.0307 8.0326 121.0167 60.7177 39.3869 176.1650 91 M 4.0286 7.3860 115.5565 55.1865 33.4048 177.1446 92 K 4.2477 7.3178 119.9336 56.4811 30.0123 174.4905 93 I 4.4680 6.8245 112.4191 58.3213 41.2346 175.7203 94 D 4.5801 7.9795 119.6676 52.5007 41.7524 176.6861 95 Q 3.3444 8.3331 118.6582 59.2911 28.5397 179.1879 96 A 3.8764 7.7476 120.7790 55.5747 18.1850 179.5201 97 T 3.9095 7.4760 113.3560 65.9798 68.9311 176.6413 98 L 3.7947 7.7158 122.4353 58.3698 42.0201 179.1748 99 F 4.5436 8.0506 117.8593 60.8283 38.9870 177.5798 100 E 4.0416 8.1384 118.1488 59.1834 29.1708 179.5290 101 L 4.0148 7.8847 119.3540 57.6679 41.6250 179.2889 102 I 3.6588 7.7263 119.6877 64.6376 37.1596 178.3183 103 L 3.9547 8.1622 119.4058 57.9261 41.3189 179.7061 104 A 4.1512 7.9700 120.0277 55.0858 18.3493 179.5374 105 A 3.9384 8.6131 119.6909 55.2237 18.1595 179.4539 106 N 4.2974 8.2601 115.1581 56.7561 38.9285 176.2829 107 Y 4.4625 8.0957 120.9353 62.2805 39.2264 176.1412 108 L 4.5607 8.1874 124.0477 54.4877 41.9599 178.7307 109 N 4.9749 8.3192 114.3974 53.8206 39.6079 176.4089 110 I 4.2671 7.7597 121.6158 59.5494 37.2434 176.9844 111 K 3.9910 8.4588 127.2662 59.3601 31.6882 177.9093 112 N 4.3736 8.2187 116.4123 56.3337 38.5440 176.8142 113 L 3.4826 7.9366 120.8086 57.0333 42.2237 178.3856 114 L 4.1192 7.7591 121.8162 57.1637 42.1259 178.0710 115 D 4.5601 8.2608 116.6211 55.8684 41.0094 177.2022 116 L 4.5117 7.3232 120.8732 56.6955 42.6854 178.2897 117 T 3.8191 7.8362 109.6869 65.1675 68.8286 176.2698 118 C 4.0778 7.9606 120.3811 62.4842 28.1984 176.1127 119 Q 3.9842 8.0579 120.3659 59.3789 28.4472 178.2376 120 T 3.9445 7.5926 116.2510 66.4518 68.7728 176.6428 121 V 3.9045 8.0760 120.0822 65.9631 31.6405 177.9131 122 A 4.0727 8.3124 120.7120 55.3666 17.9714 179.2806 123 D 4.4443 8.1287 116.1921 57.2845 40.8919 178.4310 124 M 4.2659 7.8003 118.9890 58.0561 32.2672 178.3740 125 I 4.1485 7.7012 119.6630 62.8441 37.4092 176.4462 126 K 4.0597 7.5135 119.1825 58.4022 32.1495 176.5648 127 G 4.0611 9.0419 112.6227 45.3471 0.0000 173.7848 128 K 4.4001 7.6513 118.2332 56.1706 32.8566 177.1893 129 T 4.4219 8.1060 112.2196 60.3025 71.3852 174.1281 130 P 4.2489 0.0000 0.0000 65.6001 31.1497 178.6606 131 E 3.9489 8.1079 117.6635 59.4621 29.7242 178.1832 132 E 3.9814 7.9336 118.6426 59.7380 29.3032 179.6994 133 I 3.8430 7.8676 119.0087 64.5415 37.5435 178.4545 134 R 4.2709 7.9100 116.2732 59.0048 29.5061 178.2647 135 T 3.9505 8.3797 118.0438 66.7897 68.1901 176.0840 136 T 4.3822 8.0867 110.4903 61.7970 69.8745 175.4985 137 F 4.7149 8.2922 116.2366 57.8095 44.4298 173.7536 138 N 4.1890 8.1259 118.2469 54.5758 36.5144 172.7706 139 I 4.5174 8.2288 118.9119 58.8924 40.3396 175.9935 140 K 4.0817 8.5544 124.8544 55.7496 33.0556 175.8917 141 N 4.2744 8.7939 123.0009 54.3216 37.9011 173.0251 142 D 4.8035 8.0751 124.4325 52.8526 39.9677 176.5286 143 F 4.7158 8.3702 119.4969 57.6643 39.7482 176.5496 144 T 4.1757 8.9147 116.2401 61.1730 70.6748 174.0447 145 P 4.3109 0.0000 0.0000 65.5147 31.3260 178.9554 146 E 3.9092 8.1303 117.2672 59.3558 29.3874 178.8727 147 E 3.8998 7.8781 118.6178 59.5092 29.5264 179.0200 148 E 3.1897 7.9790 119.1435 58.9773 29.6138 178.5260 149 E 3.7006 7.9555 119.2267 59.0564 29.7427 178.2748 150 E 3.7184 8.0738 119.3443 59.3282 29.6915 178.7984 151 V 3.4868 7.6792 118.2967 66.0726 31.3475 177.9548 152 R 3.7001 7.9533 118.4782 59.2610 29.8510 178.7169 153 R 2.8780 8.0404 118.1121 58.8631 29.9445 178.6073 154 E 3.6531 8.2558 118.6712 59.7626 29.3238 179.4792 155 N 4.3859 8.0569 114.5766 55.5836 38.5908 176.5121 156 Q 4.5001 7.4218 117.5362 56.0405 30.4609 177.0308 157 W 4.8183 8.4031 118.6117 57.0376 30.0084 175.8255 158 A 4.3396 7.7882 117.4474 52.7638 20.4641 175.6287 159 F 4.9910 7.9113 114.6141 57.5242 40.5034 175.8644 160 E 4.3140 9.1767 125.6138 56.3474 29.9608 174.4722 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 5 K 8.31 4.57 0.00 1.66 1.98 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 8.97 4.45 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 1.12 0.87 0.92 0.00 0.00 7 V 9.10 4.80 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 1.14 0.00 0.00 0.95 0.00 0.00 8 L 8.76 4.89 0.00 1.69 1.56 0.89 0.53 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 9 K 8.78 4.47 0.00 1.78 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.42 7.81 10 S 8.72 4.64 0.00 3.97 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 11 S 8.67 4.49 0.00 4.17 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.44 4.28 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 13 G 8.45 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 14 E 7.71 4.54 0.00 2.13 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 2.34 2.50 0.00 15 S 8.62 4.72 0.00 3.73 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 16 F 8.90 4.60 0.00 3.18 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 17 E 8.94 4.48 0.00 1.97 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 2.29 2.42 0.00 18 V 8.64 4.68 2.12 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 0.76 0.00 0.00 1.01 0.00 0.00 19 E 8.72 4.32 0.00 2.06 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 2.39 2.36 0.00 20 E 8.27 3.83 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 21 A 7.71 4.12 1.28 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 0.00 0.00 0.00 22 V 7.65 3.64 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.80 4.14 1.35 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 0.00 0.00 24 L 7.34 4.24 0.00 1.65 1.71 0.90 0.86 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 25 E 7.86 4.29 0.00 2.09 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 2.47 0.00 26 S 7.51 4.40 0.00 3.96 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 27 Q 8.59 4.10 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 28 T 7.78 4.01 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 1.04 0.00 0.00 29 I 7.65 3.93 2.04 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 1.36 0.77 0.89 0.00 0.00 30 A 8.09 4.08 1.28 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 0.00 0.00 0.00 31 H 7.91 4.42 0.00 3.24 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.57 4.82 0.00 2.17 2.13 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 2.47 2.46 0.00 33 V 7.73 4.37 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 0.80 0.00 0.00 0.95 0.00 0.00 34 E 7.47 4.18 0.00 1.97 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 2.33 2.27 0.00 35 D 8.36 4.55 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 6.82 4.51 0.00 2.85 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 37 C 8.32 4.35 0.00 3.02 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 38 V 7.80 3.69 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 1.09 0.00 0.00 0.93 0.00 0.00 39 D 8.25 4.42 0.00 2.69 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 40 N 8.14 4.86 0.00 2.70 2.79 0.00 0.00 7.08 7.02 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 41 G 8.26 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 0.00 0.00 0.00 42 V 8.43 3.81 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 0.87 0.00 0.00 0.91 0.00 0.00 43 P 0.00 4.88 0.00 2.11 2.14 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 44 L 8.83 4.87 0.00 1.86 1.78 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 5.32 0.00 2.20 2.20 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 46 N 8.31 4.65 0.00 1.46 1.92 0.00 0.00 6.90 7.68 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 47 V 7.32 4.29 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 1.01 0.00 0.00 1.22 0.00 0.00 48 T 8.35 4.30 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 1.28 0.00 0.00 49 S 8.74 4.22 0.00 4.45 3.97 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 0.00 0.00 0.00 50 K 8.12 4.00 0.00 1.91 1.83 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.57 7.81 51 I 7.64 3.74 2.01 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 1.53 0.81 0.93 0.00 0.00 52 L 8.08 3.78 0.00 1.66 1.44 0.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.82 4.00 1.61 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 0.00 0.00 54 K 7.76 4.18 0.00 2.09 2.10 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.55 7.81 55 V 8.11 3.74 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 1.09 0.00 0.00 1.04 0.00 0.00 56 I 8.05 3.74 2.03 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.96 0.00 0.00 57 E 8.44 3.95 0.00 2.20 2.34 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 2.69 2.57 0.00 58 Y 7.92 3.94 0.00 2.84 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 59 C 8.37 4.04 0.00 3.05 2.97 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 0.00 0.00 0.00 60 K 8.29 3.71 0.00 1.82 1.95 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 61 R 7.53 3.63 0.00 1.07 1.44 0.00 2.42 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 62 H 7.58 4.02 0.00 2.89 3.18 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.74 3.72 2.14 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 0.98 0.00 0.00 0.99 0.00 0.00 64 E 7.52 4.14 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 65 A 7.52 4.59 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 66 A 7.67 3.87 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 67 A 7.70 3.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.26 4.38 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *80 D 8.53 4.67 0.00 2.73 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 81 D 8.07 4.36 0.00 2.76 2.67 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 82 D 8.01 4.62 0.00 2.74 2.71 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 83 L 7.92 4.00 0.00 1.94 1.74 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.23 4.10 0.00 1.85 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.47 4.02 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 86 W 8.28 4.19 0.00 3.48 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 87 D 9.11 4.51 0.00 2.99 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 88 A 7.74 4.02 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 89 D 8.23 4.33 0.00 2.94 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.03 4.03 0.00 2.04 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 91 M 7.39 4.03 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 92 K 7.32 4.25 0.00 1.82 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.48 7.81 93 I 6.82 4.47 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.70 0.00 0.00 94 D 7.98 4.58 0.00 2.76 2.72 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 95 Q 8.33 3.34 0.00 1.84 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 96 A 7.75 3.88 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 97 T 7.48 3.91 4.40 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 1.08 0.00 0.00 98 L 7.72 3.79 0.00 1.63 1.49 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.05 4.54 0.00 3.05 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 0.00 100 E 8.14 4.04 0.00 2.07 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 2.54 2.51 0.00 101 L 7.88 4.01 0.00 1.89 1.66 0.66 1.03 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 0.00 102 I 7.73 3.66 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 0.91 0.00 0.00 103 L 8.16 3.95 0.00 1.86 1.73 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.97 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 3.94 1.35 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 0.00 0.00 106 N 8.26 4.30 0.00 2.87 2.90 0.00 0.00 7.17 7.55 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 0.00 107 Y 8.10 4.46 0.00 3.11 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.19 4.56 0.00 1.63 1.40 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.32 4.97 0.00 2.62 2.76 0.00 0.00 6.74 7.94 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 0.00 110 I 7.76 4.27 1.90 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 1.21 0.82 1.04 0.00 0.00 111 K 8.46 3.99 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.55 7.81 112 N 8.22 4.37 0.00 3.02 2.95 0.00 0.00 6.80 6.74 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 0.00 113 L 7.94 3.48 0.00 1.49 1.72 0.11 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.76 4.12 0.00 1.82 1.64 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.26 4.56 0.00 2.82 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 0.00 116 L 7.32 4.51 0.00 1.66 1.72 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.84 3.82 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 1.16 0.00 0.00 118 C 7.96 4.08 0.00 3.16 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 0.00 119 Q 8.06 3.98 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 120 T 7.59 3.94 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 121 V 8.08 3.90 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.21 0.00 0.00 122 A 8.31 4.07 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 0.00 123 D 8.13 4.44 0.00 2.92 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 0.00 124 M 7.80 4.27 0.00 2.03 2.51 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 125 I 7.70 4.15 2.02 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 1.94 1.01 0.96 0.00 0.00 126 K 7.51 4.06 0.00 1.78 1.81 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 127 G 9.04 4.06 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 0.00 0.00 0.00 128 K 7.65 4.40 0.00 1.90 1.78 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.54 7.81 129 T 8.11 4.42 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 1.22 0.00 0.00 130 P 0.00 4.25 0.00 2.21 2.20 0.00 3.61 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 2.12 2.16 0.00 131 E 8.11 3.95 0.00 2.09 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 2.39 2.47 0.00 132 E 7.93 3.98 0.00 2.14 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 2.35 2.40 0.00 133 I 7.87 3.84 2.09 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 1.87 0.76 1.05 0.00 0.00 134 R 7.91 4.27 0.00 2.19 2.23 0.00 2.95 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 135 T 8.38 3.95 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 1.20 0.00 0.00 136 T 8.09 4.38 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 137 F 8.29 4.71 0.00 3.25 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 0.00 138 N 8.13 4.19 0.00 2.83 2.86 0.00 0.00 6.84 7.94 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 0.00 139 I 8.23 4.52 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.91 0.87 0.00 0.00 140 K 8.55 4.08 0.00 1.85 1.82 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.38 7.81 141 N 8.79 4.27 0.00 2.75 2.86 0.00 0.00 7.16 8.47 0.00 0.00 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 D 8.08 4.80 0.00 2.72 2.63 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 0.00 143 F 8.37 4.72 0.00 3.24 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 0.00 144 T 8.91 4.18 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 1.29 0.00 0.00 145 P 0.00 4.31 0.00 2.17 2.14 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.13 3.91 0.00 2.05 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 2.40 2.46 0.00 147 E 7.88 3.90 0.00 2.26 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 2.39 2.38 0.00 148 E 7.98 3.19 0.00 1.88 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 2.14 2.00 0.00 149 E 7.96 3.70 0.00 2.09 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 2.14 2.16 0.00 150 E 8.07 3.72 0.00 2.15 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 151 V 7.68 3.49 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.79 0.00 0.00 152 R 7.95 3.70 0.00 1.84 1.81 0.00 3.01 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 153 R 8.04 2.88 0.00 1.66 1.41 0.00 3.03 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.60 0.00 154 E 8.26 3.65 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 2.26 2.40 0.00 155 N 8.06 4.39 0.00 2.80 2.86 0.00 0.00 6.99 7.20 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 0.00 156 Q 7.42 4.50 0.00 1.88 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 157 W 8.40 4.82 0.00 3.31 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 0.00 158 A 7.79 4.34 0.35 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 0.00 0.00 159 F 7.91 4.99 0.00 3.07 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 0.00 160 E 9.18 4.31 0.00 2.05 2.33 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 2.17 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.