NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9726 8.3549 109.7394 45.5638 0.0000 172.4933 2 L 4.4348 7.9451 118.3100 50.8112 43.9386 175.7967 3 S 4.5027 9.8780 118.1913 57.8928 66.1878 174.7729 4 D 4.6886 8.8235 122.1440 57.8080 40.6381 179.4986 5 G 3.6627 8.0940 105.5200 47.7449 0.0000 175.5353 6 E 3.9175 7.9777 120.9621 59.0896 29.5345 179.4296 7 W 4.3693 8.1873 118.9683 59.6656 29.0384 178.3579 8 Q 4.0596 8.2780 119.5125 59.3057 28.5900 178.2059 9 L 4.0220 7.8269 119.6535 57.8718 41.6083 179.5330 10 V 3.7253 7.7773 117.7116 66.3304 31.4510 178.0301 11 L 4.1856 8.2823 118.4508 57.8039 41.2624 179.1444 12 N 4.3583 8.2702 116.2369 56.7343 39.3976 177.0100 13 V 3.7882 8.0771 120.6452 64.6336 31.4166 177.9453 14 W 4.0239 8.9346 129.6240 60.1349 29.9669 178.0172 15 G 3.6329 7.9640 105.3017 47.6431 0.0000 175.8743 16 K 3.8803 7.5063 119.6235 59.1973 32.2946 179.3309 17 V 2.8726 6.8461 117.9419 65.6890 31.1468 177.7747 18 E 3.9579 7.5807 116.8216 58.8475 29.3053 178.5992 19 A 4.1880 7.2869 118.1455 53.3185 20.1187 177.4000 20 D 4.5969 7.9838 115.1222 52.3338 43.4461 175.7231 21 V 3.4688 7.7285 124.4956 66.1230 32.1232 176.8917 22 A 4.0668 7.9978 120.0249 54.8577 18.1397 179.7380 23 G 3.4414 8.0016 104.5957 48.3441 0.0000 175.7914 24 H 4.1736 8.2381 119.0220 58.1784 28.5603 178.1358 25 G 3.5507 8.2820 107.8331 47.7657 0.0000 175.3101 26 Q 3.8487 8.1474 122.6044 59.0561 29.0705 178.3912 27 E 3.8927 7.8459 119.1249 59.2065 29.3914 179.6834 28 V 3.4693 7.6571 118.3016 66.0850 31.6803 178.2263 29 L 3.4389 7.8932 118.7820 57.3817 41.2646 179.5528 30 I 3.6630 7.5886 119.9149 64.2482 37.0214 178.5196 31 R 3.8335 7.9428 118.9508 59.1189 29.8543 178.7985 32 L 3.9021 7.5615 119.8481 58.3838 41.8593 179.1555 33 F 4.6756 7.7764 117.5879 60.3651 38.5699 178.0922 34 K 4.1268 8.1903 117.8590 59.4245 32.0172 179.4190 35 G 3.7936 7.9299 104.7165 46.7352 0.0000 173.7004 36 H 4.5984 8.2785 118.9080 51.9165 30.0272 171.9565 37 P 4.5780 0.0000 0.0000 64.4414 31.4746 177.5690 38 E 4.1479 8.1873 116.3909 59.2466 29.6346 178.9543 39 T 3.9966 8.1383 110.8940 64.2288 68.9249 176.4012 40 L 3.8475 7.8089 123.1155 57.7448 41.7674 178.5410 41 E 4.1067 7.7301 116.4437 58.7837 29.4212 178.5778 42 K 4.3996 8.0130 116.9674 56.5697 32.5827 177.2080 43 F 4.3970 8.0531 119.4076 55.5992 39.8809 175.8636 44 D 4.3578 8.5180 124.9946 57.5169 40.6056 178.9429 45 S 4.1285 7.9712 112.3433 60.6906 62.7919 174.7038 46 F 5.1101 8.0604 118.4018 56.5386 40.6717 176.5255 47 K 4.0662 7.9621 120.4067 59.5760 32.4045 177.8566 48 H 4.1644 8.0695 115.2695 57.0086 28.9208 175.0447 49 L 4.4099 7.7510 121.4015 54.1485 41.7394 176.6887 50 K 4.4621 10.2563 122.7487 56.2431 33.0216 176.0662 51 S 4.5251 7.3571 113.5629 56.7389 66.4145 175.2937 52 E 3.8914 8.5569 122.2910 59.6753 28.7816 178.5191 53 D 4.3855 8.0060 118.4182 57.2632 40.7126 178.4218 54 E 4.0208 7.8218 118.2124 59.5174 29.3713 178.8929 55 M 4.1535 8.3581 119.1906 58.2725 31.8151 178.7485 56 K 3.9883 8.2914 118.8261 59.0903 32.3783 178.1948 57 A 4.3885 7.4035 119.3935 52.8817 18.7411 177.1851 58 S 4.1437 7.4750 111.9534 58.3530 62.5627 174.5811 59 E 4.0600 8.8149 127.8889 59.4213 29.6531 178.5321 60 D 4.5186 8.1243 119.4674 56.8183 41.0038 178.2113 61 L 3.5259 8.0515 121.1775 57.8357 42.1401 178.9342 62 K 3.9006 7.7508 119.6373 59.4882 32.1882 178.9347 63 K 4.0286 8.1538 118.8158 59.6515 31.9705 178.8824 64 H 4.3452 8.5233 118.7401 59.0968 29.9906 177.1732 65 G 3.7755 8.1146 107.7060 48.0799 0.0000 174.7548 66 N 4.2969 8.0032 119.6132 56.7024 38.9472 176.9982 67 T 3.8971 7.8412 116.7808 66.4986 68.4460 176.8994 68 V 3.5460 7.7317 120.0598 66.2186 31.6515 178.2123 69 L 4.1858 7.8740 118.1819 57.8176 41.3037 179.6856 70 T 3.9644 8.4681 116.2225 66.4884 68.1640 176.5564 71 A 3.9753 7.9654 122.6353 55.1546 18.4702 179.4106 72 L 3.7131 8.1744 119.2225 58.1202 42.0717 179.2925 73 G 3.3365 8.3049 105.8377 47.6640 0.0000 175.8911 74 G 3.5888 7.5990 107.1036 47.4669 0.0000 175.7359 75 I 3.8622 7.3465 121.9386 64.2386 37.2079 178.5065 76 L 4.0130 7.6700 119.7686 57.7103 41.1664 179.6608 77 K 3.9828 7.6277 117.0043 58.4659 32.1540 178.6086 78 K 3.9892 7.8337 117.5628 55.6996 32.6667 176.5272 79 K 2.0000 8.2587 118.2626 56.3573 29.8779 175.2252 80 G 3.9978 7.9886 105.9410 45.7118 0.0000 174.1832 81 H 4.6987 7.3268 119.0212 54.8952 27.2664 174.5517 82 H 5.4043 7.2414 111.7180 54.3863 29.8034 176.5053 83 E 3.9288 8.5375 121.2486 60.3641 29.0050 179.3350 84 A 4.0328 7.9137 118.4020 55.0917 18.9170 178.9672 85 E 4.1305 8.1533 116.6585 58.9873 29.7344 178.7911 86 L 4.1381 8.4382 121.0131 57.8714 42.1523 178.7912 87 T 3.8984 8.0986 116.0017 66.4426 68.4751 174.6064 88 P 4.3507 0.0000 0.0000 65.4853 31.3014 178.4103 89 L 4.1142 7.9510 118.5861 57.8124 42.2814 178.6718 90 A 4.2084 8.1747 120.8417 55.2606 18.4393 179.4258 91 Q 3.9226 8.7429 117.1354 59.3187 28.8067 179.4007 92 S 4.0462 8.2509 115.0372 61.9289 62.8853 176.2311 93 H 4.0650 8.5291 119.5463 58.1613 28.5083 177.7569 94 A 3.1547 7.6529 122.4968 54.7257 18.0472 179.3142 95 T 3.8120 7.0176 104.5071 61.8187 70.0940 175.2948 96 K 4.2193 7.7218 120.8037 57.8387 33.9924 176.4133 97 H 4.3517 8.5839 114.2608 55.7770 29.6263 175.2790 98 K 3.6891 7.4728 116.8747 55.9767 28.9628 175.3218 99 I 4.2685 8.4061 118.6806 58.7597 38.2984 175.1140 100 P 4.5347 0.0000 0.0000 62.5286 31.9684 177.8802 101 V 3.5533 8.8783 113.6472 63.9726 31.3320 179.0574 102 K 3.8283 7.8478 118.1260 59.6932 32.3518 178.6610 103 Y 4.1068 7.6721 118.2713 60.8686 37.7342 178.1491 104 L 4.1709 7.9660 120.1347 57.5026 41.6501 179.1020 105 E 3.9603 7.8015 119.1573 59.2394 29.7633 178.6701 106 F 4.5486 7.5734 117.8910 60.5609 38.8336 177.5089 107 I 3.8472 7.8755 118.0835 63.8479 37.6775 178.0455 108 S 4.1909 8.1561 116.5688 61.6281 62.6365 176.5372 109 E 4.0154 8.4812 120.0223 59.3554 29.2482 179.0478 110 A 3.9660 7.9301 121.2893 54.8403 18.4367 179.5807 111 I 3.6359 8.1300 118.7148 64.7635 37.2662 178.7336 112 I 3.7869 8.0511 120.6705 64.5125 36.8776 178.5356 113 Q 4.0564 8.4190 119.1696 58.8088 28.3935 179.1033 114 V 3.4828 8.1181 119.6847 65.9483 31.5900 178.0038 115 L 3.7216 7.6893 118.7090 57.6926 41.0695 179.4174 116 Q 4.1553 7.7011 118.2512 59.3733 29.1611 178.1106 117 S 4.2347 7.9379 114.8672 61.5127 62.9879 176.3667 118 K 4.1337 7.9797 119.4112 57.5321 33.2131 176.7781 119 H 5.0751 8.4552 116.4857 54.0269 29.5138 173.0026 120 P 4.3490 0.0000 0.0000 65.8945 31.7389 178.4292 121 G 3.7835 8.2528 106.7605 47.6263 0.0000 173.5647 122 D 4.7584 8.0120 116.7753 54.3279 42.6674 177.1494 123 F 5.0688 8.0099 122.9989 57.7687 36.6919 174.9398 124 G 3.8627 7.6238 108.1262 43.5294 0.0000 170.6989 125 A 3.8765 8.4518 120.6609 55.4417 18.2335 179.7749 126 D 4.1621 7.9014 116.3077 57.5040 40.9709 178.7143 127 A 3.9704 7.7782 120.6997 55.1026 18.4367 179.3507 128 Q 3.3122 8.0607 116.9293 58.9690 28.7751 179.5822 129 G 3.5260 8.1585 106.5147 47.5659 0.0000 175.6339 130 A 3.8409 8.0163 123.1108 55.1301 18.3902 179.2518 131 M 4.0086 8.3374 117.1324 59.0745 32.2036 178.4377 132 S 4.1500 8.2860 113.1391 61.1672 62.4598 176.2659 133 K 3.9342 8.1402 121.1905 58.9156 31.7733 179.2524 134 A 3.7524 7.8664 121.3269 55.1796 18.3243 179.7468 135 L 4.1310 8.1535 117.6132 57.8685 41.6152 179.5318 136 E 4.0151 8.5935 119.0851 59.0351 29.2533 178.9699 137 L 3.9294 8.2167 120.7790 58.1603 42.1565 178.6234 138 F 3.9766 8.0790 119.8335 61.4416 39.2378 177.0675 139 R 3.4666 7.9066 117.2942 59.2819 30.0308 178.7390 140 N 4.2624 8.1863 116.1127 56.5988 38.5928 177.2862 141 D 4.3481 8.2876 120.4642 57.4326 40.8297 178.9011 142 M 3.7929 7.5332 119.0645 58.2413 31.9193 178.6073 143 A 3.6299 8.4026 121.6844 54.9372 18.3097 179.5596 144 A 3.9662 7.8509 119.0800 55.2456 18.3980 180.0617 145 K 4.0197 8.1009 117.0722 59.6592 32.0916 178.9791 146 Y 4.2199 8.2399 117.0843 61.4030 37.7667 178.8529 147 K 4.1780 8.5169 120.6844 58.7061 32.0270 178.5853 148 E 4.2784 7.8718 115.4967 57.6709 30.1132 177.8238 149 L 4.3192 7.6651 118.6898 54.6147 42.5576 176.1247 150 G 3.6723 8.0937 105.9838 47.6800 0.0000 172.2307 151 F 4.7471 9.0980 116.4936 54.9866 43.1386 172.2329 152 Q 4.5039 8.1636 120.6079 55.1697 30.4468 173.0682 153 G 3.7548 8.5914 114.9988 45.7027 0.0000 172.1411 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 G 8.35 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 0.00 0.00 0.00 2 L 7.95 4.43 0.00 0.79 0.81 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.88 4.50 0.00 4.00 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 4 D 8.82 4.69 0.00 2.77 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 5 G 8.09 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.98 3.92 0.00 1.97 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 7 W 8.19 4.37 0.00 3.57 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.28 4.06 0.00 2.39 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 9 L 7.83 4.02 0.00 2.02 1.75 0.90 0.69 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 10 V 7.78 3.73 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 1.29 0.00 0.00 0.87 0.00 0.00 11 L 8.28 4.19 0.00 1.97 1.80 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.27 4.36 0.00 3.13 2.98 0.00 0.00 7.29 7.28 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 13 V 8.08 3.79 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 1.03 0.00 0.00 0.99 0.00 0.00 14 W 8.93 4.02 0.00 3.64 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.96 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.51 3.88 0.00 1.57 1.44 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.28 7.81 17 V 6.85 2.87 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 0.00 0.00 0.07 0.00 0.00 0.03 0.00 0.00 18 E 7.58 3.96 0.00 2.01 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 2.35 2.36 0.00 19 A 7.29 4.19 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.98 4.60 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.73 3.47 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 1.08 0.00 0.00 0.94 0.00 0.00 22 A 8.00 4.07 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 23 G 8.00 3.44 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 0.00 0.00 0.00 0.00 24 H 8.24 4.17 0.00 3.12 3.23 0.00 5.82 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 25 G 8.28 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.15 3.85 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 E 7.85 3.89 0.00 2.03 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 2.24 2.38 0.00 28 V 7.66 3.47 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 0.97 0.00 0.00 0.96 0.00 0.00 29 L 7.89 3.44 0.00 1.38 0.97 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.59 3.66 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.87 0.00 0.00 31 R 7.94 3.83 0.00 1.84 1.93 0.00 3.07 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 32 L 7.56 3.90 0.00 1.60 1.33 0.99 1.02 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 33 F 7.78 4.68 0.00 3.05 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 34 K 8.19 4.13 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.98 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 35 G 7.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.28 4.60 0.00 2.89 2.86 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.58 0.00 2.15 2.10 0.00 3.81 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 2.08 2.11 0.00 38 E 8.19 4.15 0.00 2.28 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 0.00 2.43 2.58 0.00 39 T 8.14 4.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 40 L 7.81 3.85 0.00 1.35 1.76 0.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.73 4.11 0.00 2.28 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 2.39 2.54 0.00 42 K 8.01 4.40 0.00 1.44 1.76 0.00 1.97 0.00 0.00 2.05 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.73 1.85 7.81 43 F 8.05 4.40 0.00 3.29 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 44 D 8.52 4.36 0.00 2.63 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 45 S 7.97 4.13 0.00 3.18 3.75 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 46 F 8.06 5.11 0.00 2.87 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 47 K 7.96 4.07 0.00 1.79 2.02 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.72 1.37 7.81 48 H 8.07 4.16 0.00 3.31 3.47 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.75 4.41 0.00 1.60 1.59 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 50 K 10.26 4.46 0.00 1.83 1.86 0.00 2.00 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.76 1.49 7.81 51 S 7.36 4.53 0.00 4.00 3.95 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 52 E 8.56 3.89 0.00 2.04 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 2.35 2.39 0.00 53 D 8.01 4.39 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.82 4.02 0.00 2.18 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 2.35 2.35 0.00 55 M 8.36 4.15 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 56 K 8.29 3.99 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 57 A 7.40 4.39 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 58 S 7.48 4.14 0.00 3.92 3.82 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 0.00 0.00 0.00 59 E 8.81 4.06 0.00 2.25 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 0.00 2.40 2.44 0.00 60 D 8.12 4.52 0.00 2.93 2.99 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 61 L 8.05 3.53 0.00 1.36 1.48 0.73 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.75 3.90 0.00 1.79 1.92 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.15 4.03 0.00 1.95 1.91 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.69 7.81 64 H 8.52 4.35 0.00 3.63 3.52 0.00 5.81 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 65 G 8.11 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 0.00 0.00 0.00 66 N 8.00 4.30 0.00 2.90 3.03 0.00 0.00 7.32 6.91 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 67 T 7.84 3.90 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 68 V 7.73 3.55 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 1.13 0.00 0.00 0.94 0.00 0.00 69 L 7.87 4.19 0.00 1.85 1.95 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.47 3.96 4.33 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 1.25 0.00 0.00 71 A 7.97 3.98 1.41 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 0.00 0.00 0.00 72 L 8.17 3.71 0.00 1.54 1.55 0.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.30 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 0.00 0.00 0.00 74 G 7.60 3.59 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 0.00 0.00 0.00 75 I 7.35 3.86 1.91 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 1.54 1.08 0.94 0.00 0.00 76 L 7.67 4.01 0.00 1.19 1.52 -0.03 0.72 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 77 K 7.63 3.98 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.57 7.81 78 K 7.83 3.99 0.00 1.65 1.85 0.00 1.91 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.61 1.60 7.81 79 K 8.26 2.00 0.00 1.15 0.74 0.00 1.28 0.00 0.00 1.26 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 G 7.99 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 81 H 7.33 4.70 0.00 3.16 3.21 0.00 5.62 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 82 H 7.24 5.40 0.00 3.28 3.46 0.00 5.68 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.54 3.93 0.00 2.01 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 2.45 2.39 0.00 84 A 7.91 4.03 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 85 E 8.15 4.13 0.00 2.10 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 2.40 2.43 0.00 86 L 8.44 4.14 0.00 1.89 1.79 0.81 0.61 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 87 T 8.10 3.90 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 88 P 0.00 4.35 0.00 2.20 2.14 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 89 L 7.95 4.11 0.00 1.84 1.84 1.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.17 4.21 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 0.00 0.00 0.00 0.00 0.00 91 Q 8.74 3.92 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 92 S 8.25 4.05 0.00 3.97 4.14 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 93 H 8.53 4.07 0.00 3.60 3.59 0.00 5.81 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 94 A 7.65 3.15 0.31 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 95 T 7.02 3.81 4.14 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 1.10 0.00 0.00 96 K 7.72 4.22 0.00 1.54 1.65 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.65 1.16 7.81 97 H 8.58 4.35 0.00 3.00 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.47 3.69 0.00 1.77 1.72 0.00 1.67 0.00 0.00 2.29 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.37 7.81 99 I 8.41 4.27 2.07 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 1.41 0.95 1.15 0.00 0.00 100 P 0.00 4.53 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.44 0.00 101 V 8.88 3.55 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 0.61 0.00 0.00 0.79 0.00 0.00 102 K 7.85 3.83 0.00 1.40 1.90 0.00 1.54 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.35 7.81 103 Y 7.67 4.11 0.00 3.21 3.17 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 0.00 0.00 0.00 0.00 104 L 7.97 4.17 0.00 1.76 1.79 0.63 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.80 3.96 0.00 1.91 1.74 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 2.38 2.36 0.00 106 F 7.57 4.55 0.00 3.18 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 0.00 107 I 7.88 3.85 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 1.04 0.00 0.00 108 S 8.16 4.19 0.00 4.16 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 0.00 109 E 8.48 4.02 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.78 0.00 110 A 7.93 3.97 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 0.00 111 I 8.13 3.64 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 1.58 0.96 1.01 0.00 0.00 112 I 8.05 3.79 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.04 1.15 0.00 0.00 113 Q 8.42 4.06 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 114 V 8.12 3.48 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 1.02 0.00 0.00 0.94 0.00 0.00 115 L 7.69 3.72 0.00 1.00 0.40 0.70 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.70 4.16 0.00 2.35 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 117 S 7.94 4.23 0.00 3.80 3.86 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 0.00 118 K 7.98 4.13 0.00 1.44 1.45 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.54 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.26 1.38 7.81 119 H 8.46 5.08 0.00 3.14 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.35 0.00 2.21 2.34 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 121 G 8.25 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 0.00 0.00 0.00 122 D 8.01 4.76 0.00 2.73 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 0.00 123 F 8.01 5.07 0.00 3.02 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 0.00 124 G 7.62 3.86 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 0.00 0.00 0.00 125 A 8.45 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 0.00 126 D 7.90 4.16 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.78 3.97 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 0.00 128 Q 8.06 3.31 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.65 1.38 0.00 129 G 8.16 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.02 3.84 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.34 4.01 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.82 0.00 132 S 8.29 4.15 0.00 3.97 4.01 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 0.00 133 K 8.14 3.93 0.00 1.95 1.67 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.38 7.81 134 A 7.87 3.75 1.16 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 0.00 0.00 135 L 8.15 4.13 0.00 1.75 1.81 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.59 4.02 0.00 1.98 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 2.54 2.34 0.00 137 L 8.22 3.93 0.00 1.82 1.99 1.06 1.42 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 0.00 138 F 8.08 3.98 0.00 3.29 3.27 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 0.00 139 R 7.91 3.47 0.00 2.02 1.85 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 140 N 8.19 4.26 0.00 2.80 2.82 0.00 0.00 7.11 8.88 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 0.00 141 D 8.29 4.35 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.53 3.79 0.00 1.51 1.53 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 1.73 1.78 0.00 143 A 8.40 3.63 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.85 3.97 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 0.00 145 K 8.10 4.02 0.00 2.09 2.00 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.66 7.81 146 Y 8.24 4.22 0.00 3.15 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 0.00 147 K 8.52 4.18 0.00 1.99 1.91 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.63 1.54 7.81 148 E 7.87 4.28 0.00 2.08 2.22 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 2.53 2.37 0.00 149 L 7.67 4.32 0.00 2.11 2.08 0.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.09 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 0.00 151 F 9.10 4.75 0.00 2.92 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 0.00 152 Q 8.16 4.50 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 153 G 8.59 3.75 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 0.00 0.00 0.00