NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5462 8.1633 120.2815 55.0394 33.7098 173.9358 2 K 4.4472 8.3972 124.2025 55.6521 33.6833 171.4091 3 V 4.8737 8.4875 115.7548 59.9396 37.2804 173.8935 4 I 4.6533 8.4362 125.4163 59.4641 38.9044 173.8985 5 L 4.8947 8.2971 131.0313 53.4154 42.1236 176.8908 6 L 4.7551 8.2775 124.7860 55.5867 41.0168 176.0930 7 E 4.8140 7.7998 116.8612 55.5566 32.4445 173.1059 8 P 4.8098 0.0000 0.0000 63.2663 31.0393 175.5907 9 L 4.6848 8.7166 120.6356 53.6523 45.9889 176.9234 10 E 3.9643 9.1377 123.5009 59.7151 29.6212 177.8802 11 N 4.4744 8.1595 115.4109 56.5236 40.8368 175.0650 12 L 4.4010 7.7849 116.4650 55.1958 40.2751 179.4352 13 G 4.0840 8.6775 119.5376 46.6270 0.0000 171.9863 14 D 5.0292 8.3650 121.1219 53.1699 42.0171 176.6710 15 V 3.6223 8.4493 119.2116 64.1482 32.4992 176.2147 16 G 3.9805 8.7588 112.9796 46.2807 0.0000 172.9590 17 Q 4.3539 7.5394 120.7343 54.8038 30.7598 175.0449 18 V 4.5871 8.3808 126.7131 61.9600 31.6311 175.2466 19 V 4.5591 8.2960 127.8563 59.9715 34.4795 174.6666 20 D 4.9760 8.8006 123.9710 54.2840 42.0741 176.3275 21 V 4.4066 8.3161 114.0803 59.5192 35.8274 174.4292 22 K 4.3250 8.5739 119.6115 55.7964 33.3563 175.9235 23 P 4.3796 0.0000 0.0000 65.9219 31.3512 178.4652 24 G 3.9194 8.3034 103.5439 48.6641 0.0000 174.4723 25 Y 4.4763 8.2340 121.3875 60.0825 38.6853 178.4965 26 A 3.8895 8.0843 121.4980 55.2105 18.4061 179.8748 27 R 3.8717 9.3613 115.0589 59.1148 30.3768 178.3521 28 N 4.8693 8.4009 112.7624 54.1275 39.3179 174.6959 29 Y 4.5785 7.7211 120.0912 58.0376 42.7041 176.4442 30 L 3.6205 8.3766 118.7781 57.9876 42.6218 179.6489 31 L 3.8578 8.0193 119.8221 57.7604 42.1117 177.5336 32 P 4.2530 0.0000 0.0000 65.0425 31.3423 177.4888 33 R 4.0211 7.6675 115.2937 55.6698 30.6236 177.3458 34 G 3.8498 8.3245 107.0178 46.0324 0.0000 174.7582 35 L 4.2950 7.6095 117.6945 55.4586 42.4979 175.9375 36 A 4.5898 7.1950 119.2242 51.4771 22.9872 175.4036 37 V 4.4754 8.3831 117.1763 60.9899 35.7454 174.1783 38 L 4.3907 8.4630 126.7858 53.9797 42.4253 178.1558 39 A 4.5420 8.4376 132.9059 51.7881 15.8925 177.0718 40 T 4.0314 7.7287 112.2723 61.4976 70.1178 175.3293 41 E 3.9174 8.6563 122.0164 59.4615 29.3095 179.0405 42 S 4.1583 7.9095 114.2852 61.3332 63.2235 175.9928 43 N 4.4665 8.5762 119.5672 56.5099 38.5059 177.3953 44 L 3.9097 8.0825 120.7167 58.2072 41.6391 180.0376 45 K 4.0775 8.0061 117.5884 58.9944 31.8915 179.2430 46 A 4.0515 8.3854 121.6573 54.4932 18.1812 179.4566 47 L 3.9110 7.6968 118.9282 58.3422 42.3265 178.6894 48 E 3.9476 8.2110 118.3123 59.1820 29.3404 179.0719 49 A 3.9179 7.6757 120.9707 55.1854 18.6273 179.2087 50 R 3.8218 8.2211 117.2095 60.3963 30.0850 177.9781 51 I 3.6234 8.1039 119.1169 64.9161 37.1128 178.1544 52 R 3.9409 8.9382 118.4501 60.3992 30.1013 177.9773 53 A 4.1224 8.3753 120.8766 53.9154 18.0286 178.9010 54 Q 3.8781 8.2674 115.2109 58.7283 29.5573 179.3812 55 A 4.0104 7.9586 121.4431 55.2098 18.3493 179.2947 56 K 4.1441 8.0321 116.6300 58.2192 32.3529 178.8014 57 R 3.9121 7.9631 119.1921 59.5798 30.1228 178.1455 58 L 3.9453 8.6391 119.3834 57.8761 41.6543 179.3643 59 A 3.9986 8.4291 121.1075 55.1383 18.0195 179.3194 60 E 3.8981 7.5874 116.8206 59.1962 29.9558 179.0622 61 R 4.0809 7.7954 117.7618 59.1079 29.8917 178.8398 62 K 4.0871 8.3155 119.0938 59.3319 31.8464 178.5388 63 A 4.0767 7.9218 120.7503 54.9797 18.5105 178.9182 64 E 4.0107 8.3535 117.7727 59.1184 29.7238 178.4349 65 A 4.0169 8.1264 120.5033 55.6475 18.1160 178.9940 66 E 3.8980 7.5598 113.9700 59.8951 29.8343 179.5827 67 R 4.0692 7.9091 117.6400 59.6653 30.1344 179.1569 68 L 4.0121 7.8449 117.8824 57.5869 41.5686 179.1282 69 K 3.8097 8.5442 119.0115 59.3291 32.0661 177.8307 70 E 4.2612 8.0671 118.4082 58.3635 28.9702 178.3437 71 I 3.7939 7.3872 118.1539 64.0632 38.2304 177.7085 72 L 4.0517 7.9509 118.0138 56.6967 41.4780 178.8966 73 E 4.3748 7.4160 119.7839 58.3917 30.7719 177.1860 74 N 4.6453 7.4719 118.5628 50.1474 37.2026 174.0063 75 L 4.8480 6.9761 127.2303 54.7861 44.6406 172.8810 76 T 4.8930 7.9423 113.3100 59.9527 71.4723 173.0419 77 L 4.3189 9.2479 126.6145 54.5205 42.9723 175.9319 78 T 4.7445 8.5325 121.6055 62.3314 69.7734 174.6433 79 I 4.2703 8.3819 129.2993 59.1115 38.6971 173.4874 80 P 4.7798 0.0000 0.0000 61.9087 31.9032 176.3702 81 V 4.5077 8.0860 123.4021 60.9634 34.5886 174.6908 82 R 4.1964 8.8125 126.0587 57.2041 30.8636 175.3437 83 A 4.3032 8.4437 123.4620 49.2313 22.2766 179.3825 84 G 3.8472 7.4363 109.6302 45.3014 0.0000 176.9069 85 E 4.3144 8.6999 124.1032 58.1250 29.8726 175.8111 86 T 4.7899 7.5882 113.7823 64.4879 76.4400 174.0785 87 K 4.2498 8.0793 122.8550 56.9174 33.2953 175.2531 88 I 4.3852 8.2607 127.8376 60.2008 38.7181 175.3689 89 Y 4.2586 7.8361 123.4192 59.1492 37.7971 176.7931 90 G 3.8677 9.6303 115.8917 45.0520 0.0000 171.1575 91 S 4.7469 8.2245 112.5526 56.9505 65.9859 175.3829 92 V 4.2567 8.4101 123.9964 60.8299 32.5777 175.9839 93 T 4.3682 8.9542 117.1441 60.4581 71.2075 175.9929 94 A 3.9354 8.7092 122.1454 55.4697 18.5981 179.3962 95 K 3.8469 8.2192 117.6120 59.9355 32.0830 178.2281 96 D 4.3528 7.7880 118.9181 57.1088 40.9590 178.3603 97 I 3.6839 7.7763 120.1887 64.6324 37.1120 178.0529 98 A 3.9464 8.3548 121.4946 55.1425 18.1499 178.9400 99 E 3.9802 7.9114 114.0339 57.6265 29.8084 177.8547 100 A 4.3592 7.6486 119.8752 55.2138 19.6456 179.0063 101 L 3.8748 7.8963 118.7964 58.5982 42.0927 179.1792 102 S 4.4885 8.4778 114.6587 60.4763 62.0409 175.8918 103 R 4.2050 7.6641 118.8333 57.7309 30.7779 177.5379 104 Q 4.2048 8.2001 117.2552 57.4143 29.7115 175.8341 105 H 4.7326 8.1813 112.7505 55.8480 33.7828 175.1465 106 G 4.3151 8.2514 107.1731 46.1404 0.0000 173.5140 107 I 3.8760 7.2289 120.4329 60.7527 38.5758 174.4749 108 T 4.7764 8.4142 124.4255 61.6713 69.8518 173.8962 109 I 4.5897 7.9754 119.3551 58.4732 40.4416 174.4782 110 D 4.4688 9.3680 124.9973 53.5090 41.2984 174.7859 111 P 4.3928 0.0000 0.0000 65.9370 31.3381 177.6948 112 K 4.0804 8.3525 117.0525 59.2845 32.3053 177.4515 113 R 4.2305 7.9378 118.2532 55.6589 29.9604 175.4722 114 L 5.0548 7.4346 117.0213 53.6309 45.7357 175.0961 115 A 4.2612 8.3300 126.9158 52.0784 18.7784 177.3584 116 L 4.0620 7.9823 119.0444 55.4694 43.8116 173.9720 117 E 4.0816 9.3453 125.8147 57.3551 30.4223 176.9051 118 K 4.5720 7.3996 120.7175 52.9306 35.0278 174.4765 119 P 4.2740 0.0000 0.0000 62.7598 32.0455 176.2227 120 I 3.7941 8.1507 122.3871 61.6095 36.8718 176.1831 121 K 4.3392 8.6511 125.7804 56.0459 32.2636 175.4704 122 E 5.0735 7.8158 117.2499 54.9320 31.6805 174.3590 123 L 4.7160 8.1994 120.3705 53.9292 44.9561 175.4081 124 G 3.7204 6.8565 109.1476 43.6994 0.0000 172.1754 125 E 4.5073 7.9415 117.1319 54.6827 31.6993 174.3009 126 Y 5.0828 8.8736 118.1784 56.8217 43.3613 174.1516 127 V 5.2855 8.2812 118.5972 60.7364 33.5627 174.7223 128 L 4.5771 8.5422 127.9100 54.1962 44.0262 176.0916 129 T 4.9261 8.3271 117.8295 62.1192 70.9744 172.8461 130 Y 4.6645 8.8788 129.5269 56.7526 40.0857 175.0322 131 K 4.4861 7.8525 127.3542 55.0422 30.5909 174.1695 132 P 4.1849 0.0000 0.0000 65.4183 32.4571 176.6806 133 H 4.8143 7.8314 117.3212 53.6799 32.2962 172.1489 134 P 4.5444 0.0000 0.0000 63.4958 30.5532 176.3246 135 E 4.5214 8.6690 115.9121 55.6339 31.3765 175.9612 136 V 4.2299 7.1577 116.7057 61.5981 32.2755 171.6261 137 P 4.6387 0.0000 0.0000 61.8826 32.6998 175.5954 138 I 4.5132 8.2981 123.4086 59.5222 40.2697 174.8641 139 Q 4.4776 8.8934 127.0991 55.4684 29.1024 175.3810 140 L 4.4761 8.8012 128.2554 53.5359 43.7668 175.5427 141 K 4.8086 8.5847 126.4144 56.1428 33.5531 176.4117 142 V 4.9453 8.7449 117.4643 59.7157 36.3828 174.9569 143 S 4.3084 9.8952 119.1197 56.5900 64.5188 173.3269 144 V 4.3726 8.4483 128.0145 62.9356 32.8443 176.3897 145 V 4.0569 8.1127 116.7551 62.0625 33.2131 173.2348 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 1 M 8.16 4.55 0.00 1.99 2.36 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 2 K 8.40 4.45 0.00 1.85 1.73 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.91 7.81 3 V 8.49 4.87 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 0.95 0.00 0.00 1.01 0.00 0.00 4 I 8.44 4.65 1.87 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 1.28 1.30 0.96 0.00 0.00 5 L 8.30 4.89 0.00 1.93 1.78 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.28 4.76 0.00 1.66 1.78 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.80 4.81 0.00 1.91 1.80 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 2.14 2.31 0.00 8 P 0.00 4.81 0.00 2.13 2.05 0.00 3.81 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 2.00 0.00 9 L 8.72 4.68 0.00 1.70 1.62 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.14 3.96 0.00 1.97 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 2.36 2.27 0.00 11 N 8.16 4.47 0.00 2.72 2.93 0.00 0.00 6.96 7.78 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 12 L 7.78 4.40 0.00 1.73 1.14 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.68 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 14 D 8.36 5.03 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.45 3.62 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 0.91 0.00 0.00 0.93 0.00 0.00 16 G 8.76 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.54 4.35 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 18 V 8.38 4.59 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 0.87 0.00 0.00 0.94 0.00 0.00 19 V 8.30 4.56 2.10 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 0.79 0.00 0.00 0.96 0.00 0.00 20 D 8.80 4.98 0.00 2.58 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 21 V 8.32 4.41 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 0.75 0.00 0.00 1.09 0.00 0.00 22 K 8.57 4.32 0.00 1.84 1.77 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.53 7.81 23 P 0.00 4.38 0.00 2.18 2.13 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 24 G 8.30 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 25 Y 8.23 4.48 0.00 2.94 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.08 3.89 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 27 R 9.36 3.87 0.00 1.88 2.02 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 28 N 8.40 4.87 0.00 2.81 2.91 0.00 0.00 6.78 7.45 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 29 Y 7.72 4.58 0.00 2.96 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 30 L 8.38 3.62 0.00 1.64 1.57 0.67 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.02 3.86 0.00 1.97 1.62 0.91 0.90 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 32 P 0.00 4.25 0.00 2.00 2.06 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.15 0.00 33 R 7.67 4.02 0.00 1.62 1.69 0.00 2.21 0.00 0.00 2.69 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 34 G 8.32 3.85 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 0.00 0.00 0.00 35 L 7.61 4.29 0.00 1.55 1.66 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.19 4.59 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.38 4.48 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 0.92 0.00 0.00 0.91 0.00 0.00 38 L 8.46 4.39 0.00 1.67 1.56 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.44 4.54 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 40 T 7.73 4.03 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 1.27 0.00 0.00 41 E 8.66 3.92 0.00 2.06 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 2.38 2.40 0.00 42 S 7.91 4.16 0.00 3.88 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 43 N 8.58 4.47 0.00 2.71 2.85 0.00 0.00 6.96 6.36 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 44 L 8.08 3.91 0.00 1.92 1.75 0.92 0.84 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 45 K 8.01 4.08 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 46 A 8.39 4.05 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 47 L 7.70 3.91 0.00 1.77 1.88 0.92 1.00 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 48 E 8.21 3.95 0.00 2.18 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 2.52 2.48 0.00 49 A 7.68 3.92 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 50 R 8.22 3.82 0.00 1.86 2.13 0.00 3.12 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 51 I 8.10 3.62 2.03 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 1.52 0.58 0.91 0.00 0.00 52 R 8.94 3.94 0.00 1.93 2.01 0.00 3.48 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 53 A 8.38 4.12 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 54 Q 8.27 3.88 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 55 A 7.96 4.01 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 56 K 8.03 4.14 0.00 1.85 2.06 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.59 7.81 57 R 7.96 3.91 0.00 2.09 1.95 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 58 L 8.64 3.95 0.00 1.93 1.71 0.93 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.43 4.00 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 60 E 7.59 3.90 0.00 2.32 2.18 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 2.32 2.35 0.00 61 R 7.80 4.08 0.00 2.02 1.90 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 62 K 8.32 4.09 0.00 1.97 1.96 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.65 1.47 7.81 63 A 7.92 4.08 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 64 E 8.35 4.01 0.00 2.11 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 2.32 2.39 0.00 65 A 8.13 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.56 3.90 0.00 2.16 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 2.43 0.00 67 R 7.91 4.07 0.00 2.11 2.00 0.00 3.33 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 68 L 7.84 4.01 0.00 1.74 1.74 0.95 1.00 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 69 K 8.54 3.81 0.00 1.74 2.06 0.00 1.85 0.00 0.00 1.84 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.56 7.81 70 E 8.07 4.26 0.00 2.25 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 2.51 2.45 0.00 71 I 7.39 3.79 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.99 0.00 0.00 72 L 7.95 4.05 0.00 1.62 1.66 0.83 1.23 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 73 E 7.42 4.37 0.00 2.25 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 2.32 2.39 0.00 74 N 7.47 4.65 0.00 2.84 2.75 0.00 0.00 6.94 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 75 L 6.98 4.85 0.00 1.66 1.72 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.94 4.89 4.22 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 1.20 0.00 0.00 77 L 9.25 4.32 0.00 1.58 1.64 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.53 4.74 4.22 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 1.24 0.00 0.00 79 I 8.38 4.27 1.86 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 1.22 1.67 0.92 0.00 0.00 80 P 0.00 4.78 0.00 1.94 1.99 0.00 3.65 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 2.01 2.06 0.00 81 V 8.09 4.51 2.10 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 0.77 0.00 0.00 0.95 0.00 0.00 82 R 8.81 4.20 0.00 1.90 2.10 0.00 3.28 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 83 A 8.44 4.30 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.44 3.85 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 0.00 0.00 0.00 85 E 8.70 4.31 0.00 1.93 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 2.25 2.25 0.00 86 T 7.59 4.79 4.22 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 1.32 0.00 0.00 87 K 8.08 4.25 0.00 1.79 1.58 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.45 7.81 88 I 8.26 4.39 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 1.43 0.97 1.00 0.00 0.00 89 Y 7.84 4.26 0.00 3.15 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 90 G 9.63 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 91 S 8.22 4.75 0.00 3.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.41 4.26 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 0.86 0.00 0.00 0.98 0.00 0.00 93 T 8.95 4.37 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 1.29 0.00 0.00 94 A 8.71 3.94 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 95 K 8.22 3.85 0.00 1.85 1.88 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.59 7.81 96 D 7.79 4.35 0.00 3.01 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 97 I 7.78 3.68 2.02 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 1.79 0.94 0.91 0.00 0.00 98 A 8.35 3.95 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 99 E 7.91 3.98 0.00 2.04 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 2.33 2.33 0.00 100 A 7.65 4.36 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 0.00 101 L 7.90 3.87 0.00 1.88 1.73 0.93 0.62 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 0.00 102 S 8.48 4.49 0.00 3.89 3.84 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 0.00 0.00 0.00 103 R 7.66 4.21 0.00 1.80 1.94 0.00 3.25 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 104 Q 8.20 4.20 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 105 H 8.18 4.73 0.00 3.30 3.22 0.00 5.92 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.25 4.32 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 0.00 107 I 7.23 3.88 1.85 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 1.21 1.13 0.92 0.00 0.00 108 T 8.41 4.78 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 0.00 109 I 7.98 4.59 1.08 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 0.50 0.00 0.00 110 D 9.37 4.47 0.00 2.84 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 0.00 111 P 0.00 4.39 0.00 2.25 2.22 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 112 K 8.35 4.08 0.00 1.77 1.93 0.00 2.08 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 113 R 7.94 4.23 0.00 1.82 1.31 0.00 3.14 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 114 L 7.43 5.05 0.00 1.95 1.79 1.09 1.17 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 0.00 115 A 8.33 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.98 4.06 0.00 1.61 1.57 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.35 4.08 0.00 2.10 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 2.25 2.27 0.00 118 K 7.40 4.57 0.00 1.86 1.82 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.32 7.81 119 P 0.00 4.27 0.00 2.21 2.11 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 2.00 0.00 120 I 8.15 3.79 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 1.15 0.00 0.00 121 K 8.65 4.34 0.00 1.78 1.74 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.61 7.81 122 E 7.82 5.07 0.00 2.07 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 2.23 2.22 0.00 123 L 8.20 4.72 0.00 1.59 1.48 0.88 1.08 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 0.00 124 G 6.86 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 0.00 125 E 7.94 4.51 0.00 2.04 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 126 Y 8.87 5.08 0.00 2.88 2.78 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 0.00 127 V 8.28 5.29 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 1.04 0.00 0.00 0.98 0.00 0.00 128 L 8.54 4.58 0.00 1.71 1.78 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.33 4.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 130 Y 8.88 4.66 0.00 3.06 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 0.00 131 K 7.85 4.49 0.00 1.65 1.72 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.28 7.81 132 P 0.00 4.18 0.00 2.10 2.22 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 133 H 7.83 4.81 0.00 3.08 3.05 0.00 5.68 0.00 0.00 0.00 0.00 6.69 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 4.54 0.00 2.11 2.06 0.00 3.80 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 2.03 2.07 0.00 135 E 8.67 4.52 0.00 1.71 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 2.14 2.19 0.00 136 V 7.16 4.23 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 0.86 0.00 0.00 0.78 0.00 0.00 137 P 0.00 4.64 0.00 1.99 1.96 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 138 I 8.30 4.51 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 1.28 1.15 1.04 0.00 0.00 139 Q 8.89 4.48 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 140 L 8.80 4.48 0.00 1.76 1.70 0.89 0.30 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 0.00 141 K 8.58 4.81 0.00 2.00 1.70 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.54 7.81 142 V 8.74 4.95 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 0.81 0.00 0.00 1.06 0.00 0.00 143 S 9.90 4.31 0.00 3.57 3.62 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 0.00 144 V 8.45 4.37 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 0.94 0.00 0.00 0.93 0.00 0.00 145 V 8.11 4.06 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 0.95 0.00 0.00