NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5327 8.3049 120.5903 55.8859 33.8227 174.2439 2 T 4.0870 8.3581 117.8891 61.5079 73.3895 171.2894 3 Y 4.9432 8.5278 122.8415 56.1992 41.3534 174.4657 4 W 5.4575 9.0967 121.4463 55.0162 34.4069 173.6768 5 I 4.7003 8.6611 122.8140 59.4709 39.9717 173.8274 6 C 4.7851 8.9614 127.2739 57.9325 30.3269 172.6839 7 I 4.9427 8.7858 125.3617 60.5493 38.2624 174.9839 8 T 4.6866 8.9731 122.5331 61.2749 71.1242 171.3089 9 N 5.2884 8.5982 116.4733 50.4213 40.8144 175.1251 10 R 4.1277 9.2218 117.0793 59.3562 29.3612 179.0982 11 E 4.0045 8.2456 118.6486 59.4828 29.7902 178.3360 12 N 4.7082 9.1574 116.1810 55.1953 38.6432 177.2499 13 W 4.5823 8.3642 130.6319 60.5764 30.7546 177.7625 14 E 3.6570 8.1294 118.7945 59.1729 28.7870 179.4777 15 V 3.5735 7.4999 117.5021 65.9753 31.5357 178.0718 16 I 3.9825 8.3093 119.9367 64.6203 36.8108 178.6173 17 K 3.9922 7.5101 119.1377 58.8532 31.8016 179.3185 18 R 4.0521 7.7796 117.6320 58.6831 30.2220 177.7638 19 H 4.5511 8.5000 113.8234 54.5077 30.4789 174.4436 20 N 4.4170 8.5903 118.3170 54.2134 36.4360 173.9500 21 V 5.0575 7.6641 115.0491 61.0226 35.5122 174.4251 22 W 4.9369 9.2026 135.0000 55.6361 32.8410 174.5030 23 G 4.1798 7.3005 112.9373 44.3905 0.0000 171.6279 24 V 4.5321 8.1546 112.7088 58.7780 36.7801 173.7142 25 P 4.5929 0.0000 0.0000 61.3378 32.6878 177.3754 26 K 3.6523 8.9653 120.4399 59.6501 31.8741 178.6945 27 K 3.9854 7.9987 115.7321 59.1583 32.6837 176.8694 28 H 4.8751 8.1246 115.7942 55.2374 29.7018 175.6971 29 K 3.7201 7.8852 123.1678 59.4124 31.5107 178.2777 30 N 4.2445 7.8852 116.1490 56.8774 39.2012 176.5886 31 T 4.0372 7.7512 116.6547 66.5971 68.6846 176.4017 32 L 3.7388 7.8055 122.3537 57.7705 41.8221 178.8496 33 S 4.1786 7.7603 113.1227 60.5882 62.9020 175.8414 34 R 4.2543 7.6832 120.6572 56.6297 30.5597 176.9510 35 V 4.0749 7.0653 119.2056 62.6133 32.3077 175.2023 36 K 4.7774 9.2549 125.1410 53.5044 35.8201 174.1188 37 P 4.6489 0.0000 0.0000 64.4924 31.7028 176.1277 38 G 4.1131 9.0858 110.8635 45.6318 0.0000 174.0597 39 D 4.6015 8.1609 118.9672 54.5469 42.3423 175.6998 40 K 5.1314 8.4198 119.6270 54.7660 35.1709 175.2670 41 L 5.1939 9.3024 124.0932 53.0136 44.8013 175.5114 42 V 4.5968 9.1743 125.0222 61.7802 33.1859 174.5452 43 I 4.4626 8.7843 129.8849 60.2866 38.6770 174.1403 44 Y 5.0523 8.8867 128.3179 55.7263 42.0388 174.3813 45 V 4.7682 7.8518 119.6152 59.1454 34.4839 175.9673 46 R 4.1888 8.2661 122.1561 55.3719 30.7698 175.9474 47 Q 4.3538 8.5483 121.0198 56.6093 29.6807 174.7368 48 E 4.9205 9.3324 124.7805 54.7703 34.7137 174.0712 49 K 5.1768 8.4806 118.8336 54.8256 35.3991 176.7513 50 D 4.7015 8.8965 124.1503 51.9324 40.8645 177.0447 51 K 3.8143 8.5827 119.5327 59.4091 31.9939 176.8682 52 E 4.2742 8.3470 115.5685 56.1818 29.5934 176.8570 53 G 3.9446 8.4363 107.7038 45.2350 0.0000 173.3119 54 N 4.6645 8.7328 118.5238 52.3411 39.8654 174.3894 55 L 4.4658 8.5760 125.9794 55.0572 43.2494 175.8835 56 L 4.6605 9.3214 127.5794 52.8172 43.3425 176.0231 57 E 4.5236 8.7699 123.9235 55.3283 30.5678 175.4567 58 P 4.4254 0.0000 0.0000 63.1562 32.6629 175.3076 59 K 5.0476 8.2843 120.9596 54.8022 37.2302 175.1614 60 I 4.6095 8.5307 123.8934 60.8811 38.4340 176.7248 61 V 4.4429 7.9811 118.8177 59.4912 33.8685 175.2843 62 G 4.4817 6.9177 107.5352 46.3153 0.0000 171.8817 63 I 5.4736 8.5948 120.2212 59.7978 40.6114 174.8112 64 Y 5.1623 9.5889 123.6184 56.1395 42.5374 173.8230 65 E 5.0448 9.1938 121.9658 54.3367 32.7794 175.1815 66 V 4.4635 8.9463 127.6390 63.2406 32.4838 176.1062 67 T 4.7824 9.1591 117.2296 61.5296 69.7473 173.5341 68 S 4.8154 7.8585 115.4426 56.8600 66.5412 173.3544 69 E 4.4322 8.7296 119.7871 55.1870 30.3491 175.1390 70 P 4.8164 0.0000 0.0000 63.4758 32.3286 175.1694 71 Y 4.9498 8.7765 120.2789 55.9362 42.3036 173.3100 72 V 4.4592 8.3166 118.2835 61.0885 34.2530 174.4742 73 D 4.3073 8.1997 126.5119 53.3637 44.8145 175.1923 74 F 4.7256 8.6674 124.2252 57.0593 39.2659 176.0246 75 S 4.1329 8.1237 116.2207 58.7801 62.9062 175.0843 76 R 4.3169 8.3925 123.0947 55.3067 28.7198 175.4659 77 I 4.1477 7.9031 115.6516 60.8621 39.7680 176.6300 78 F 4.7200 7.7207 117.8544 56.0768 40.1350 174.7575 79 K 4.4053 9.3231 124.9476 54.1270 32.5040 174.4418 80 P 4.4989 0.0000 0.0000 63.4544 31.3610 176.7960 81 H 4.5652 9.5915 119.7678 57.3604 28.6879 176.1919 82 R 4.4757 7.5939 118.5761 55.9598 30.8760 176.1877 83 G 3.9766 8.1259 104.7338 45.9188 0.0000 175.7381 84 G 4.0457 7.6621 112.4872 45.5490 0.0000 175.1289 85 K 4.5257 8.4048 124.8617 55.6541 33.4551 175.6163 86 E 3.7151 8.0925 119.8382 57.1679 29.5256 176.7665 87 T 4.3789 8.1894 113.7746 60.8815 70.7878 173.5435 88 Y 3.5996 7.9929 119.4807 57.5253 35.6257 168.8612 89 P 4.7272 0.0000 0.0000 64.6078 33.5895 177.3876 90 Y 4.6439 7.0553 118.8501 56.9719 39.0404 174.9967 91 R 4.9927 8.4388 122.7735 54.3295 35.1976 174.7092 92 V 5.0275 8.4628 112.8097 59.5293 35.9183 175.7630 93 K 4.9671 9.4517 123.9705 56.6931 33.3791 176.0078 94 I 5.4462 8.4819 115.8989 59.6532 41.5072 174.0967 95 K 4.9422 9.1928 120.6059 54.4180 35.9697 174.1335 96 P 3.3216 0.0000 0.0000 62.9579 31.5983 175.3898 97 I 4.3559 8.3003 122.0684 62.4323 39.6810 176.2706 98 K 4.6260 7.7485 121.9238 54.9634 35.7753 174.5851 99 I 5.0436 8.5632 127.6344 59.8243 39.3819 174.5725 100 G 3.8798 8.5662 116.7586 46.6024 0.0000 171.9581 101 E 5.2755 8.4130 119.8686 55.7190 31.6738 176.1199 102 I 4.7187 8.2214 120.8077 58.4876 41.1206 175.0170 103 N 4.8407 8.7802 122.4037 53.6217 39.2830 175.0439 104 F 4.2295 9.1709 125.4138 60.9391 40.0868 177.4491 105 K 3.1848 8.2247 119.7187 59.0832 31.7373 176.6753 106 P 4.3261 0.0000 0.0000 63.8604 31.4360 176.7247 107 L 4.2506 7.4851 118.9898 54.8337 42.9605 178.5107 108 I 3.3634 6.8695 113.0250 63.8655 37.2507 178.0753 109 N 4.3303 7.9316 116.7027 55.2018 38.4466 175.1700 110 D 4.7313 7.9077 115.5628 53.6702 41.8809 175.6452 111 L 4.7560 7.3797 120.4630 51.9443 42.3211 177.3324 112 K 3.9567 9.1620 126.3047 59.2420 32.3032 177.8939 113 F 4.3307 8.9445 113.1981 58.8004 37.8909 175.7833 114 I 3.5385 6.6566 122.7068 59.7584 35.5316 175.4758 115 K 4.0430 8.0111 124.6989 58.6435 32.6943 177.5062 116 N 4.8036 8.1487 118.0280 51.3776 37.6039 175.4733 117 K 4.2041 8.4518 122.8320 59.1848 32.6108 179.1628 118 K 4.1623 8.1503 117.1163 58.8195 32.8502 177.1708 119 R 4.6338 7.6507 116.7171 53.1002 29.9621 175.2413 120 W 4.6025 8.3854 119.7396 59.8722 28.3308 178.3419 121 S 3.4898 6.8742 114.3451 60.9139 60.5397 176.1207 122 M 4.1021 7.9833 120.6089 58.2184 30.6380 177.5102 123 H 4.2576 8.3198 115.5202 57.1182 29.2511 176.1622 124 F 4.5950 8.4942 119.3635 56.8302 40.3849 175.5785 125 F 4.0738 7.4496 120.5361 59.4916 39.4447 174.7452 126 G 3.6712 7.9363 115.5548 46.2860 0.0000 173.1817 127 K 4.4867 7.6889 116.5845 54.2440 36.2678 176.0998 128 A 4.7633 7.8953 122.3188 53.5688 21.3285 176.4071 129 M 5.1028 7.7436 109.3569 54.8845 33.8619 174.4746 130 R 4.8855 8.5377 115.4509 54.7222 33.4117 173.8440 131 E 3.9111 8.8128 121.7631 56.2287 30.3795 175.6384 132 L 4.5880 8.1255 126.5329 52.0869 43.8915 175.0695 133 P 4.4052 0.0000 0.0000 62.1089 32.3494 176.8490 134 E 3.6512 9.0454 121.8583 59.6127 29.4286 179.2395 135 E 3.9285 8.1276 116.9565 59.5156 29.3496 178.8154 136 D 4.3301 7.9876 119.3575 57.1492 40.9520 177.8058 137 Y 3.9375 7.7653 120.0256 60.5206 38.8538 177.9487 138 K 3.6626 8.0287 120.6042 59.3548 32.2249 178.4433 139 L 3.8535 7.7305 120.3372 58.1811 42.0044 178.9979 140 I 3.6033 7.5856 119.7207 64.3022 36.8065 177.9228 141 E 3.6638 7.7405 119.3147 59.1851 29.4160 178.5580 142 K 4.0256 7.5584 118.2315 59.3167 32.3274 178.4338 143 L 4.3968 7.6368 118.2261 55.8895 42.0649 177.4106 144 L 4.2034 7.7369 120.1146 54.2960 41.7239 176.4709 145 L 4.1927 8.2114 124.5897 54.7833 41.7774 177.2393 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 8.30 4.53 0.00 1.77 1.88 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.08 0.00 2 T 8.36 4.09 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 0.08 0.00 0.00 3 Y 8.53 4.94 0.00 2.90 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 4 W 9.10 5.46 0.00 3.08 2.90 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 0.00 0.00 0.00 5 I 8.66 4.70 1.61 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 1.02 1.57 0.38 0.00 0.00 6 C 8.96 4.79 0.00 1.91 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 7 I 8.79 4.94 2.01 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 1.20 0.50 1.23 0.00 0.00 8 T 8.97 4.69 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 9 N 8.60 5.29 0.00 3.33 2.92 0.00 0.00 5.99 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 10 R 9.22 4.13 0.00 1.93 2.13 0.00 3.26 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 11 E 8.25 4.00 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 2.45 2.45 0.00 12 N 9.16 4.71 0.00 2.88 2.94 0.00 0.00 6.71 7.41 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 13 W 8.36 4.58 0.00 3.40 3.36 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 14 E 8.13 3.66 0.00 2.16 1.92 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 2.53 2.45 0.00 15 V 7.50 3.57 2.40 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 0.56 0.00 0.00 1.06 0.00 0.00 16 I 8.31 3.98 2.29 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.02 0.91 0.00 0.00 17 K 7.51 3.99 0.00 1.44 1.61 0.00 1.21 0.00 0.00 0.69 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.86 0.21 7.81 18 R 7.78 4.05 0.00 1.87 1.84 0.00 3.10 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 19 H 8.50 4.55 0.00 3.08 3.31 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.59 4.42 0.00 2.97 3.12 0.00 0.00 6.20 7.67 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 21 V 7.66 5.06 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 0.92 0.00 0.00 1.10 0.00 0.00 22 W 9.20 4.94 0.00 3.44 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 23 G 7.30 4.18 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 0.00 24 V 8.15 4.53 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 0.56 0.00 0.00 0.93 0.00 0.00 25 P 0.00 4.59 0.00 2.16 2.03 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 26 K 8.97 3.65 0.00 1.97 1.85 0.00 1.73 0.00 0.00 1.97 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.33 7.81 27 K 8.00 3.99 0.00 1.75 1.83 0.00 1.44 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 0.88 7.81 28 H 8.12 4.88 0.00 3.19 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.89 3.72 0.00 1.01 1.50 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.09 0.90 7.81 30 N 7.89 4.24 0.00 2.67 2.80 0.00 0.00 6.99 7.70 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 31 T 7.75 4.04 4.36 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 1.22 0.00 0.00 32 L 7.81 3.74 0.00 1.68 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.76 4.18 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.68 4.25 0.00 2.17 2.27 0.00 3.26 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 35 V 7.07 4.07 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 0.66 0.00 0.00 -0.05 0.00 0.00 36 K 9.25 4.78 0.00 1.80 1.66 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.55 7.81 37 P 0.00 4.65 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 38 G 9.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.16 4.60 0.00 2.92 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 40 K 8.42 5.13 0.00 1.56 1.74 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.34 7.81 41 L 9.30 5.19 0.00 1.54 1.35 0.79 0.61 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 42 V 9.17 4.60 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 0.82 0.00 0.00 1.13 0.00 0.00 43 I 8.78 4.46 1.34 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.56 0.00 0.00 44 Y 8.89 5.05 0.00 2.88 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 45 V 7.85 4.77 1.91 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 0.53 0.00 0.00 0.71 0.00 0.00 46 R 8.27 4.19 0.00 1.91 2.09 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 47 Q 8.55 4.35 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 48 E 9.33 4.92 0.00 1.90 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 2.46 0.00 49 K 8.48 5.18 0.00 1.61 1.68 0.00 1.76 0.00 0.00 1.94 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.41 7.81 50 D 8.90 4.70 0.00 2.91 2.84 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 51 K 8.58 3.81 0.00 1.75 1.91 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.49 7.81 52 E 8.35 4.27 0.00 2.10 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 2.28 2.37 0.00 53 G 8.44 3.94 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 0.00 0.00 0.00 54 N 8.73 4.66 0.00 2.95 2.76 0.00 0.00 6.65 6.29 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 55 L 8.58 4.47 0.00 1.66 1.59 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.32 4.66 0.00 1.64 1.58 0.94 0.79 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 57 E 8.77 4.52 0.00 1.85 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 58 P 0.00 4.43 0.00 2.26 2.14 0.00 3.45 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 59 K 8.28 5.05 0.00 1.52 1.58 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.60 7.81 60 I 8.53 4.61 1.93 0.00 0.00 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 1.58 1.08 0.99 0.00 0.00 61 V 7.98 4.44 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 -0.51 0.00 0.00 62 G 6.92 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 0.00 0.00 0.00 0.00 63 I 8.59 5.47 1.98 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 1.34 0.89 1.20 0.00 0.00 64 Y 9.59 5.16 0.00 2.93 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 65 E 9.19 5.04 0.00 2.04 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 2.24 2.40 0.00 66 V 8.95 4.46 2.28 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 1.08 0.00 0.00 1.02 0.00 0.00 67 T 9.16 4.78 4.28 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 1.28 0.00 0.00 68 S 7.86 4.82 0.00 3.86 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 69 E 8.73 4.43 0.00 1.94 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 2.34 2.31 0.00 70 P 0.00 4.82 0.00 1.95 1.96 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 71 Y 8.78 4.95 0.00 2.93 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 72 V 8.32 4.46 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 0.25 0.00 0.00 1.04 0.00 0.00 73 D 8.20 4.31 0.00 2.94 2.45 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 74 F 8.67 4.73 0.00 3.05 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 75 S 8.12 4.13 0.00 3.97 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 76 R 8.39 4.32 0.00 1.82 1.96 0.00 3.15 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 77 I 7.90 4.15 1.13 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.36 0.59 0.00 0.00 78 F 7.72 4.72 0.00 3.26 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 79 K 9.32 4.41 0.00 1.71 1.82 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.52 7.81 80 P 0.00 4.50 0.00 2.31 2.06 0.00 3.73 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 81 H 9.59 4.57 0.00 3.29 3.45 0.00 5.50 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.59 4.48 0.00 1.67 1.87 0.00 3.21 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.00 83 G 8.13 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 84 G 7.66 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.40 4.53 0.00 1.67 1.76 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.36 7.81 86 E 8.09 3.72 0.00 1.62 1.52 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 1.47 1.47 0.00 87 T 8.19 4.38 4.29 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 1.30 0.00 0.00 88 Y 7.99 3.60 0.00 2.95 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 89 P 0.00 4.73 0.00 0.66 1.46 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.65 0.00 90 Y 7.06 4.64 0.00 2.83 2.81 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 91 R 8.44 4.99 0.00 0.67 1.39 0.00 2.75 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.33 0.00 92 V 8.46 5.03 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 0.77 0.00 0.00 1.15 0.00 0.00 93 K 9.45 4.97 0.00 1.75 1.81 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.49 7.81 94 I 8.48 5.45 2.30 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 1.58 0.98 1.14 0.00 0.00 95 K 9.19 4.94 0.00 1.80 1.94 0.00 1.31 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.38 7.81 96 P 0.00 3.32 0.00 1.80 1.46 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 97 I 8.30 4.36 2.03 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 1.10 1.02 0.96 0.00 0.00 98 K 7.75 4.63 0.00 1.81 1.63 0.00 1.65 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.49 7.81 99 I 8.56 5.04 1.97 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.15 1.17 0.00 0.00 100 G 8.57 3.88 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 0.00 0.00 0.00 101 E 8.41 5.28 0.00 1.98 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 2.10 2.20 0.00 102 I 8.22 4.72 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.93 0.00 0.00 103 N 8.78 4.84 0.00 2.70 2.77 0.00 0.00 6.96 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 0.00 104 F 9.17 4.23 0.00 3.17 3.10 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 0.00 105 K 8.22 3.18 0.00 1.72 1.68 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.30 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.20 1.40 7.81 106 P 0.00 4.33 0.00 1.91 1.99 0.00 3.58 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 107 L 7.49 4.25 0.00 1.37 1.27 0.83 0.50 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 0.00 108 I 6.87 3.36 1.68 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 0.41 0.12 0.00 0.00 109 N 7.93 4.33 0.00 2.63 2.86 0.00 0.00 6.74 8.06 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 0.00 110 D 7.91 4.73 0.00 2.55 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 0.00 111 L 7.38 4.76 0.00 1.59 1.66 0.90 0.54 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 0.00 112 K 9.16 3.96 0.00 1.85 1.97 0.00 2.08 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 113 F 8.94 4.33 0.00 3.12 3.21 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 0.00 0.00 0.00 114 I 6.66 3.54 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.58 0.98 0.00 0.00 115 K 8.01 4.04 0.00 1.84 1.91 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.45 7.81 116 N 8.15 4.80 0.00 2.80 2.80 0.00 0.00 7.14 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 0.00 117 K 8.45 4.20 0.00 1.77 1.89 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.40 7.81 118 K 8.15 4.16 0.00 1.77 1.90 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.39 7.81 119 R 7.65 4.63 0.00 1.83 1.71 0.00 3.04 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 120 W 8.39 4.60 0.00 3.82 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 6.87 3.49 0.00 3.57 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 0.00 122 M 7.98 4.10 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 123 H 8.32 4.26 0.00 3.53 3.49 0.00 5.62 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.49 4.60 0.00 3.19 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 0.00 125 F 7.45 4.07 0.00 3.05 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 0.00 126 G 7.94 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 0.00 127 K 7.69 4.49 0.00 1.74 1.58 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.50 7.81 128 A 7.90 4.76 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 M 7.74 5.10 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 130 R 8.54 4.89 0.00 1.85 1.97 0.00 2.73 0.00 0.00 2.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.15 0.00 131 E 8.81 3.91 0.00 1.34 1.63 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 1.95 1.73 0.00 132 L 8.13 4.59 0.00 1.43 1.50 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.41 0.00 2.20 1.98 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 134 E 9.05 3.65 0.00 2.19 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 2.38 2.36 0.00 135 E 8.13 3.93 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 136 D 7.99 4.33 0.00 2.93 2.86 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 0.00 0.00 0.00 137 Y 7.77 3.94 0.00 2.63 2.43 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 0.00 138 K 8.03 3.66 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.40 7.81 139 L 7.73 3.85 0.00 1.76 1.73 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.59 3.60 1.83 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.50 0.87 0.00 0.00 141 E 7.74 3.66 0.00 1.20 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 2.16 2.31 0.00 142 K 7.56 4.03 0.00 1.74 1.99 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.47 7.81 143 L 7.64 4.40 0.00 1.63 1.66 0.85 0.95 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 0.00 144 L 7.74 4.20 0.00 1.68 1.58 0.92 0.93 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 0.00 145 L 8.21 4.19 0.00 1.68 1.56 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00