NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2163 8.3031 121.7557 55.7929 32.2083 175.1174 3 G 3.5576 8.4254 113.6625 43.5944 0.0000 169.7773 4 D 4.3688 8.5802 119.4810 53.5101 43.4344 174.9160 5 K 3.7661 8.7860 127.8831 60.0644 32.1593 178.9063 6 K 3.9430 8.0695 117.6863 58.9128 31.8919 179.5712 7 V 3.4888 7.7729 118.3905 66.0300 31.4757 177.8204 8 I 3.6621 7.8305 119.7654 64.7308 37.0068 178.1356 9 Q 3.9143 8.2386 120.1069 59.3622 28.7570 177.8457 10 H 4.0962 8.1446 117.2703 58.9933 28.6971 177.7232 11 L 4.0071 8.2615 120.9413 57.9796 41.3583 179.4294 12 N 4.3388 8.4283 116.5232 55.8431 38.3860 177.5365 13 K 3.9098 8.0331 121.2329 59.6478 32.4039 178.9126 14 I 3.7244 8.0415 120.4406 64.3488 36.9953 178.2210 15 L 4.0787 8.3820 121.6517 58.0238 41.7997 179.1552 16 G 3.6662 8.3460 106.0728 47.9451 0.0000 175.3165 17 N 4.3527 8.2255 118.7310 56.2480 38.4713 177.3808 18 E 4.0064 8.2451 119.9526 59.3176 29.3978 179.3981 19 L 3.9913 8.0183 119.1217 57.4929 41.6166 179.6899 20 I 3.6455 7.5057 119.8854 64.2629 37.0134 178.2768 21 A 3.3331 7.7741 121.5856 54.7676 18.0911 179.4620 22 I 3.5446 7.8085 118.6863 64.8154 37.2327 178.4133 23 N 4.3184 7.7423 117.0317 56.1954 38.3951 177.2937 24 Q 3.8265 8.3342 121.2358 59.5793 29.1428 178.0529 25 Y 4.9658 7.8099 119.2727 60.5670 37.8834 178.3150 26 F 3.9597 8.3963 121.7371 61.1930 39.5096 176.9839 27 L 3.9880 8.0852 119.9502 58.4312 41.8278 178.5614 28 H 3.8518 8.1872 116.1357 58.7912 28.6530 177.3600 29 S 4.3557 8.7786 115.3421 61.9775 62.0856 176.5940 30 R 3.9788 7.8923 119.6572 58.5798 29.8274 179.0227 31 M 3.4385 7.7054 119.1097 57.8968 31.8743 178.5606 32 W 4.5805 7.9137 119.1989 59.8835 29.1391 178.2633 33 N 4.3635 8.3100 116.3033 56.5993 37.8575 176.8338 34 D 4.3108 7.9216 117.8743 57.0907 41.2557 177.6764 35 W 4.9173 7.8666 116.8676 56.6960 29.4038 177.2305 36 G 3.9934 8.2589 107.4695 46.4658 0.0000 175.6387 37 L 4.5466 8.0135 122.2896 53.6115 38.2833 177.5553 38 K 4.1322 8.5160 121.2443 58.8981 32.5913 179.2405 39 R 3.8943 8.1248 119.5831 59.1082 29.8846 178.5504 40 L 3.7480 7.7453 118.5422 57.4706 41.6203 179.0537 41 G 4.0176 8.1596 105.5695 48.1461 0.0000 175.3838 42 A 4.0312 8.2008 123.7034 55.0062 18.4502 179.2088 43 H 4.0080 8.2346 116.8191 59.3971 29.8739 177.1319 44 E 4.0473 8.6300 121.3085 59.1082 29.3699 178.1469 45 Y 4.0488 8.0758 119.9658 61.0638 38.8855 177.8063 46 H 4.0193 8.1330 116.5431 58.7005 28.5412 177.7165 47 E 3.9171 7.9203 120.3020 59.1172 29.1822 179.2590 48 S 4.2615 8.1695 113.2945 61.5354 62.5542 176.0909 49 I 3.5632 7.6591 122.6895 64.6954 36.8484 178.1474 50 D 4.3426 8.2066 119.3907 57.3001 40.4800 178.6579 51 E 4.1377 7.9012 119.1029 59.1331 29.5446 178.8027 52 M 3.9883 8.1407 119.0469 58.5674 32.1187 178.9873 53 K 4.0359 7.9592 118.4038 59.4332 32.2265 179.1140 54 H 4.2109 8.1740 116.3729 58.8919 28.6756 177.2724 55 A 3.9967 8.1752 122.6805 55.5046 18.2252 178.9765 56 D 4.2885 8.0830 116.1412 57.6742 41.2369 178.8392 57 K 4.0193 8.0251 118.5557 59.4465 31.9714 179.4248 58 L 4.0525 8.0658 119.3115 57.7975 41.5217 179.6503 59 I 3.7357 7.9700 119.8876 64.3445 37.0387 178.3564 60 E 3.9971 8.1435 119.3410 59.4264 29.3336 179.4448 61 R 4.0347 8.1034 118.7611 59.4279 30.1312 178.5664 62 I 3.7473 8.1499 120.0256 64.5193 37.1596 178.4770 63 L 4.0277 8.1394 119.7680 57.6510 41.1637 179.3761 64 F 4.3553 8.1247 120.1131 61.0736 39.6018 176.5013 65 L 3.8909 8.0742 116.1598 54.3565 41.1076 177.1115 66 E 3.8612 7.7428 117.4692 57.2919 27.3123 174.9674 67 G 3.8498 7.9527 108.0378 44.6749 0.0000 173.8092 68 L 4.5561 7.9912 118.9221 51.9634 42.5033 175.2169 69 P 4.3547 0.0000 0.0000 62.4079 31.7740 175.7987 70 N 4.6622 9.2977 122.8448 52.5581 38.5643 174.1180 71 L 4.6167 8.3726 124.3740 54.5690 42.4428 177.1862 72 Q 4.1508 8.4964 121.7513 57.5220 29.5668 175.5613 73 D 4.5794 8.1365 117.9708 53.0141 41.2537 175.1970 74 L 4.5507 8.3616 126.5141 52.8905 43.8533 176.5232 75 G 3.8524 8.3519 115.6887 44.2793 0.0000 171.8018 76 K 4.0562 8.3556 120.9017 55.8293 32.3263 176.9172 77 L 4.0178 8.4153 127.1175 54.6317 42.1227 176.7897 78 L 4.4019 8.9497 124.6942 53.5233 41.1688 175.9588 79 I 4.3904 8.1953 125.0315 59.2805 38.7176 176.5279 80 G 4.0295 8.7269 114.8909 44.6567 0.0000 172.5854 81 E 4.7766 9.1881 114.9686 55.2784 30.5816 175.5418 82 N 5.0689 7.7079 117.0581 50.8072 41.8721 175.0148 83 T 4.3780 8.5639 111.1417 65.1919 68.8102 176.5278 84 Q 3.9867 8.1726 120.3670 58.8499 28.7935 178.2983 85 E 4.0039 8.7291 119.6769 59.6511 29.4812 179.2753 86 M 3.9108 8.2000 118.6367 58.4706 31.9876 178.8512 87 L 4.1432 8.1322 119.0398 57.8954 41.8111 179.4447 88 Q 3.9873 8.1643 119.5408 59.3290 29.0013 177.9364 89 C 4.2259 8.9035 118.2682 62.9563 28.1767 175.7926 90 D 4.6495 8.4534 120.5231 57.4861 40.5647 178.6982 91 L 4.0606 8.1331 120.8392 58.0849 42.1688 178.8011 92 N 4.3682 8.3645 116.5750 56.1859 38.4925 176.9173 93 L 4.0103 8.0149 121.7528 58.5385 42.0774 179.0188 94 E 4.1143 8.4482 118.2801 59.3611 29.3174 179.3573 95 L 4.0553 7.9720 118.9259 57.4078 41.7347 179.3375 96 K 3.9701 8.1211 119.3266 59.3487 32.1674 178.7661 97 A 4.1802 8.2588 121.1814 55.4740 18.3085 179.6846 98 T 3.8314 8.1744 114.4012 66.6467 68.5947 176.6780 99 K 3.9261 7.8767 121.0236 59.7591 32.2410 178.5482 100 D 4.4221 8.0975 119.0191 57.2799 40.6659 178.7514 101 L 4.0058 8.0772 119.5113 57.9769 41.6661 179.8554 102 R 3.9483 8.0606 117.9718 59.2794 29.8944 179.0199 103 E 4.0093 8.1776 117.8126 59.2252 29.4351 179.2457 104 A 3.5864 8.0653 121.0094 55.0036 18.3898 179.8101 105 I 3.7019 7.8829 118.5509 64.2918 37.2367 178.5967 106 V 3.5646 7.8148 119.2333 66.3687 31.3669 177.6756 107 H 4.0463 7.8776 117.4488 59.3494 29.7353 176.7329 108 C 3.9405 8.0313 118.6278 63.1243 27.9577 175.9457 109 E 3.8970 8.1300 120.5398 59.2675 28.9582 178.6550 110 Q 3.9656 7.6641 118.4607 58.3420 29.1395 177.4447 111 V 4.0027 7.2210 110.4357 60.5358 31.8687 175.5566 112 H 3.0604 7.1714 113.7728 57.0349 26.7561 176.2474 113 D 4.5264 7.4237 120.8846 53.5542 38.5475 175.6079 114 Y 4.3226 7.6005 121.5689 60.1669 38.4306 177.4013 115 V 3.7073 7.8706 119.2670 66.0203 31.7558 178.0902 116 S 4.1938 8.4972 115.1096 61.4061 62.5743 176.6130 117 R 3.9112 7.9194 121.1414 59.3149 29.7485 178.0620 118 D 4.3102 8.1824 117.9078 57.1811 41.1886 177.7259 119 L 3.9337 7.8700 120.8156 58.5297 42.1012 179.1570 120 L 3.9846 8.0297 118.5970 57.4226 41.5048 179.4363 121 K 3.9725 8.5112 120.2992 59.5764 32.0039 178.6327 122 D 4.3786 8.4326 119.5129 57.4331 40.6960 178.8308 123 I 3.5100 7.9812 120.5330 64.1063 36.9977 178.2592 124 L 3.9583 7.8947 121.2765 58.0751 41.8896 178.6340 125 E 3.9472 8.2949 119.3474 59.3469 29.5373 178.7788 126 S 4.2123 7.8946 113.2254 61.4059 62.3572 176.0106 127 E 4.1138 8.6001 121.8365 59.3228 29.1411 179.1339 128 E 4.0058 8.6930 119.2832 59.3144 29.4252 179.1447 129 E 4.0195 8.4308 118.8212 59.6855 29.4724 179.0086 130 H 4.3365 8.3885 116.2242 59.2087 28.7592 177.9119 131 I 3.7759 8.1815 121.7538 64.3306 36.9094 178.0164 132 D 4.3158 8.3877 119.0001 57.3775 41.0180 177.5345 133 Y 4.1115 8.2743 120.0700 60.7735 38.8457 178.1293 134 L 3.6801 8.1789 119.6993 57.9469 41.7818 179.4668 135 E 3.9447 8.4263 118.6998 59.7435 29.2779 179.6632 136 T 3.8278 7.9215 115.7843 66.4358 68.3898 176.9168 137 Q 3.7046 7.8738 120.1095 58.9314 28.4070 178.5132 138 L 3.8564 7.7051 120.0540 57.8814 41.7115 180.0225 139 G 3.6014 8.1698 105.5938 47.6285 0.0000 175.8630 140 L 4.0289 8.0772 121.7406 57.5494 41.7291 179.3998 141 I 3.5728 7.4985 119.8696 64.6731 36.7688 178.4751 142 Q 3.9921 7.4448 116.3557 58.6522 28.6087 178.2940 143 K 4.2116 7.7554 118.1063 58.0419 32.5029 178.6510 144 V 4.2334 8.3635 110.4345 59.8544 33.1995 176.8802 145 G 4.0038 7.7017 105.9411 45.6502 0.0000 174.1937 146 L 3.9483 8.6716 123.4587 58.1574 42.0459 179.4291 147 E 3.9470 8.1167 117.6724 59.5492 29.5222 178.7137 148 N 4.2717 8.2324 115.9521 56.6732 38.4008 176.5606 149 Y 3.9577 8.0800 119.5764 60.7796 39.1822 177.8779 150 L 4.1004 8.3658 120.1620 57.5406 41.7716 179.1864 151 Q 3.8806 8.1304 119.6820 59.4048 28.8955 178.4867 152 S 4.2842 7.9029 113.2165 60.2270 62.9947 174.5467 153 H 4.6299 7.5684 118.7174 55.6571 29.4531 175.8930 154 M 4.0561 8.0513 121.5512 58.4279 32.2665 175.7108 155 H 5.1731 7.6365 113.9744 54.0053 30.7676 174.8543 156 E 4.1495 8.6618 121.2785 56.7747 29.3722 176.7814 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.30 4.22 0.00 1.64 1.76 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.46 7.81 3 G 8.43 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 0.00 0.00 0.00 4 D 8.58 4.37 0.00 2.77 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 5 K 8.79 3.77 0.00 1.83 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.53 7.81 6 K 8.07 3.94 0.00 1.83 1.67 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.46 7.81 7 V 7.77 3.49 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 1.17 0.00 0.00 0.95 0.00 0.00 8 I 7.83 3.66 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.38 0.89 0.00 0.00 9 Q 8.24 3.91 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 10 H 8.14 4.10 0.00 3.46 3.31 0.00 5.68 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 11 L 8.26 4.01 0.00 1.83 1.73 0.94 0.74 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 12 N 8.43 4.34 0.00 2.95 2.85 0.00 0.00 6.67 7.27 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 13 K 8.03 3.91 0.00 1.93 1.94 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.04 3.72 2.00 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 1.70 1.04 0.92 0.00 0.00 15 L 8.38 4.08 0.00 1.81 1.90 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.35 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.23 4.35 0.00 2.98 2.89 0.00 0.00 7.02 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 18 E 8.25 4.01 0.00 2.13 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 2.60 2.53 0.00 19 L 8.02 3.99 0.00 1.67 1.67 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.51 3.65 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.62 0.91 0.00 0.00 21 A 7.77 3.33 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.54 1.93 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 1.51 0.59 0.84 0.00 0.00 23 N 7.74 4.32 0.00 2.69 2.82 0.00 0.00 6.75 7.30 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 24 Q 8.33 3.83 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 25 Y 7.81 4.97 0.00 3.06 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 26 F 8.40 3.96 0.00 3.28 3.08 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 27 L 8.09 3.99 0.00 1.85 1.61 0.87 1.09 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 28 H 8.19 3.85 0.00 3.49 2.84 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.78 4.36 0.00 3.98 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 30 R 7.89 3.98 0.00 1.83 1.85 0.00 2.92 0.00 0.00 2.45 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 31 M 7.71 3.44 0.00 0.88 1.66 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 2.41 2.10 0.00 32 W 7.91 4.58 0.00 3.64 3.35 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 33 N 8.31 4.36 0.00 2.89 2.85 0.00 0.00 6.66 7.42 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 34 D 7.92 4.31 0.00 2.55 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.87 4.92 0.00 3.82 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 36 G 8.26 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 37 L 8.01 4.55 0.00 2.20 1.69 1.25 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.52 4.13 0.00 1.92 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.61 7.81 39 R 8.12 3.89 0.00 1.84 1.89 0.00 3.20 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 40 L 7.75 3.75 0.00 1.33 0.17 0.45 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.16 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 0.00 0.00 0.00 42 A 8.20 4.03 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 43 H 8.23 4.01 0.00 3.32 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.63 4.05 0.00 2.52 2.35 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 2.81 2.69 0.00 45 Y 8.08 4.05 0.00 3.05 3.11 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 0.00 46 H 8.13 4.02 0.00 3.33 3.25 0.00 5.87 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 47 E 7.92 3.92 0.00 2.01 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 2.33 2.22 0.00 48 S 8.17 4.26 0.00 4.19 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 49 I 7.66 3.56 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.21 0.84 0.00 0.00 50 D 8.21 4.34 0.00 2.91 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 51 E 7.90 4.14 0.00 2.04 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 0.00 2.79 2.51 0.00 52 M 8.14 3.99 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 53 K 7.96 4.04 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.60 7.81 54 H 8.17 4.21 0.00 3.51 3.42 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.18 4.00 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 56 D 8.08 4.29 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.03 4.02 0.00 2.07 1.85 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 58 L 8.07 4.05 0.00 1.84 1.73 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.97 3.74 2.07 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 0.91 0.92 0.00 0.00 60 E 8.14 4.00 0.00 2.18 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 2.34 2.47 0.00 61 R 8.10 4.03 0.00 1.98 2.10 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 62 I 8.15 3.75 2.01 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 1.53 0.53 0.94 0.00 0.00 63 L 8.14 4.03 0.00 2.07 1.78 0.93 0.88 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 64 F 8.12 4.36 0.00 2.97 3.34 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 65 L 8.07 3.89 0.00 1.85 1.60 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.74 3.86 0.00 2.06 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 2.12 2.30 0.00 67 G 7.95 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 68 L 7.99 4.56 0.00 1.61 1.60 0.91 1.00 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 69 P 0.00 4.35 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.78 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 70 N 9.30 4.66 0.00 2.62 2.82 0.00 0.00 7.09 7.40 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 71 L 8.37 4.62 0.00 1.61 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.50 4.15 0.00 1.96 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.14 4.58 0.00 2.67 2.59 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 74 L 8.36 4.55 0.00 1.51 1.51 0.88 1.07 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 75 G 8.35 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 76 K 8.36 4.06 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.42 4.02 0.00 1.63 1.56 0.90 0.99 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 78 L 8.95 4.40 0.00 1.81 1.69 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.20 4.39 1.88 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 1.33 0.83 0.90 0.00 0.00 80 G 8.73 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 0.00 0.00 0.00 0.00 81 E 9.19 4.78 0.00 2.12 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 2.53 2.23 0.00 82 N 7.71 5.07 0.00 2.88 2.85 0.00 0.00 5.95 7.22 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 83 T 8.56 4.38 5.33 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 1.61 0.00 0.00 84 Q 8.17 3.99 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 85 E 8.73 4.00 0.00 2.34 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 2.35 2.37 0.00 86 M 8.20 3.91 0.00 1.38 2.20 0.00 0.00 0.00 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.17 0.00 87 L 8.13 4.14 0.00 1.89 1.72 0.80 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.16 3.99 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.90 4.23 0.00 3.29 3.19 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 90 D 8.45 4.65 0.00 2.96 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 91 L 8.13 4.06 0.00 1.87 1.88 0.96 0.56 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 92 N 8.36 4.37 0.00 2.99 2.89 0.00 0.00 6.61 6.02 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 93 L 8.01 4.01 0.00 1.98 1.98 0.94 0.99 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 94 E 8.45 4.11 0.00 2.28 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 0.00 2.71 2.64 0.00 95 L 7.97 4.06 0.00 1.92 1.74 0.95 0.36 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 96 K 8.12 3.97 0.00 1.93 1.99 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.26 4.18 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 98 T 8.17 3.83 4.49 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 1.26 0.00 0.00 99 K 7.88 3.93 0.00 1.83 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 D 8.10 4.42 0.00 2.92 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 0.00 101 L 8.08 4.01 0.00 1.96 1.72 0.92 0.78 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 0.00 102 R 8.06 3.95 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 103 E 8.18 4.01 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 2.35 2.34 0.00 104 A 8.07 3.59 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 0.00 105 I 7.88 3.70 2.00 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 1.41 0.69 0.93 0.00 0.00 106 V 7.81 3.56 2.24 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 0.97 0.00 0.00 0.98 0.00 0.00 107 H 7.88 4.05 0.00 3.25 3.15 0.00 5.68 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 0.00 108 C 8.03 3.94 0.00 3.16 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 0.00 109 E 8.13 3.90 0.00 2.22 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 0.00 2.37 2.43 0.00 110 Q 7.66 3.97 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 111 V 7.22 4.00 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 0.80 0.00 0.00 0.97 0.00 0.00 112 H 7.17 3.06 0.00 3.17 3.21 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.42 4.53 0.00 2.63 2.47 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 0.00 114 Y 7.60 4.32 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.87 3.71 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.50 4.19 0.00 4.04 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 0.00 117 R 7.92 3.91 0.00 1.92 2.20 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 118 D 8.18 4.31 0.00 3.03 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 0.00 119 L 7.87 3.93 0.00 1.93 1.87 0.94 0.74 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 0.00 120 L 8.03 3.98 0.00 1.90 1.70 0.91 0.46 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 0.00 121 K 8.51 3.97 0.00 1.94 2.05 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.43 4.38 0.00 2.87 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 0.00 123 I 7.98 3.51 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.47 0.77 0.00 0.00 124 L 7.89 3.96 0.00 1.86 1.85 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.29 3.95 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 2.31 2.32 0.00 126 S 7.89 4.21 0.00 3.89 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 0.00 127 E 8.60 4.11 0.00 2.01 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 2.58 2.53 0.00 128 E 8.69 4.01 0.00 2.11 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 2.35 2.56 0.00 129 E 8.43 4.02 0.00 2.17 2.04 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 2.36 2.54 0.00 130 H 8.39 4.34 0.00 3.61 3.41 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 0.00 131 I 8.18 3.78 2.06 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 1.47 0.91 0.95 0.00 0.00 132 D 8.39 4.32 0.00 2.95 2.92 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 0.00 133 Y 8.27 4.11 0.00 3.14 3.16 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 0.00 134 L 8.18 3.68 0.00 2.10 1.69 1.06 0.92 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 0.00 135 E 8.43 3.94 0.00 1.97 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 2.32 2.51 0.00 136 T 7.92 3.83 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 1.18 0.00 0.00 137 Q 7.87 3.70 0.00 1.76 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.25 1.86 0.00 138 L 7.71 3.86 0.00 1.69 1.63 0.83 0.86 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 0.00 139 G 8.17 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.03 0.00 1.76 1.88 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.50 3.57 1.81 0.00 0.00 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 1.03 0.26 0.81 0.00 0.00 142 Q 7.44 3.99 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 143 K 7.76 4.21 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 144 V 8.36 4.23 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 0.79 0.00 0.00 1.08 0.00 0.00 145 G 7.70 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 0.00 146 L 8.67 3.95 0.00 1.76 1.69 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.12 3.95 0.00 2.05 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 2.39 2.40 0.00 148 N 8.23 4.27 0.00 3.05 2.90 0.00 0.00 6.69 7.48 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 0.00 149 Y 8.08 3.96 0.00 2.98 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 0.00 150 L 8.37 4.10 0.00 1.86 1.72 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.13 3.88 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 152 S 7.90 4.28 0.00 3.77 3.64 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 0.00 153 H 7.57 4.63 0.00 2.92 3.04 0.00 5.80 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.05 4.06 0.00 1.81 2.08 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 155 H 7.64 5.17 0.00 3.14 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.66 4.15 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00