NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3864 8.3049 120.3152 55.3789 33.1586 173.9810 2 E 4.1159 8.5308 121.3204 56.3916 30.6695 175.5491 3 H 4.7702 8.4351 121.3531 54.1252 28.4558 172.9460 4 V 4.3341 7.5570 119.3190 60.7839 34.9955 174.3734 5 A 4.5768 8.4005 129.7065 50.4755 20.0473 176.1137 6 F 2.8696 8.4835 123.6242 59.6063 39.5682 175.6625 7 G 3.5304 7.5291 115.2910 44.9694 0.0000 173.5338 8 S 4.0881 7.2848 114.7164 58.0720 63.3475 175.3619 9 E 3.9491 8.7904 123.9983 58.5214 29.8024 176.9236 10 D 4.9651 7.6976 117.6253 52.7274 40.2090 177.9707 11 I 3.5396 7.5104 122.8239 65.0849 37.5432 176.9225 12 E 4.0881 8.0734 117.1708 59.1893 29.7236 178.5653 13 N 4.5294 8.2272 117.7726 56.5403 38.4724 177.4735 14 T 3.8877 7.7895 115.4213 66.2725 68.9084 175.6728 15 L 4.3722 7.9813 118.3572 53.4408 41.8492 176.4688 16 A 4.3105 7.2291 122.9721 53.7432 18.5942 177.5857 17 K 3.9399 9.1306 120.3715 57.1756 29.9234 175.3061 18 M 4.1309 8.2778 119.6156 55.5252 32.5985 176.6466 19 D 4.7729 8.5186 126.0669 52.7086 42.2214 177.0728 20 D 4.4937 8.6471 119.1090 57.2989 40.5112 178.9671 21 G 3.7724 8.1763 104.8271 48.2533 0.0000 175.1685 22 Q 4.1283 8.5187 120.9238 58.4019 28.7786 178.5856 23 L 3.9041 8.1781 121.4205 58.2139 41.8937 178.5159 24 D 4.6287 7.9750 117.5436 56.0866 41.0429 177.7299 25 G 3.8166 8.0802 106.0114 44.1072 0.0000 173.7592 26 L 4.0781 6.8633 120.6844 54.1732 42.0907 177.2335 27 A 4.1985 8.0310 123.1545 53.4918 18.7824 177.1204 28 F 5.1166 6.6700 109.4890 54.3445 41.6634 174.9306 29 G 4.1855 9.5496 107.0870 46.0698 0.0000 172.6591 30 A 5.4813 9.4452 124.6698 50.3361 22.9910 175.0751 31 I 5.0195 9.0399 123.2655 59.4141 41.1783 174.2294 32 Q 4.6266 8.8207 127.5875 54.1745 31.1130 174.1459 33 L 5.3302 8.8005 126.4086 52.8716 45.4219 176.4803 34 D 5.0038 8.9186 122.4021 52.3179 40.8310 177.3828 35 G 3.6485 8.6669 107.1156 48.0227 0.0000 174.2605 36 D 4.6275 8.4143 118.1622 55.1059 41.5218 177.2732 37 G 4.0714 8.9148 108.5510 45.1495 0.0000 173.0204 38 N 4.9083 8.7379 118.0809 52.8581 39.3484 174.2572 39 I 4.2894 8.6281 124.0505 61.3736 37.6618 176.4627 40 L 4.4040 9.1576 127.7048 56.2260 43.0604 177.1482 41 Q 4.7247 7.7094 115.2682 54.7649 33.7585 174.0721 42 Y 4.9736 8.4819 122.0096 57.1591 41.5310 173.8128 43 N 5.0410 8.7411 125.1727 51.5650 39.9485 176.2207 44 A 4.0419 9.0451 120.2879 55.2547 18.3048 179.7289 45 A 3.9417 7.9471 118.8701 55.1874 18.4767 179.3114 46 E 3.9953 8.4345 117.5277 59.4393 29.6817 179.0912 47 G 3.9411 8.2757 105.7865 47.6273 0.0000 175.4009 48 D 4.4240 8.1487 120.4676 57.2450 40.8924 178.5705 49 I 3.9692 7.8155 119.8942 63.8458 37.2573 177.6158 50 T 4.5943 8.2713 107.9147 61.0680 69.9937 175.6839 51 G 4.0175 8.5623 110.0122 45.3879 0.0000 174.1934 52 R 3.9906 7.7996 118.9997 55.8142 30.8808 175.5504 53 D 4.6168 8.3530 120.1169 52.9691 41.4470 174.9253 54 P 4.0641 0.0000 0.0000 65.9269 31.2184 178.5950 55 K 4.1690 8.0129 114.0362 58.6446 32.0826 178.8326 56 Q 4.0895 8.0815 118.3165 58.4119 28.8876 178.0191 57 V 3.8238 7.3960 112.1645 61.6295 31.9852 176.3003 58 I 3.9144 6.8562 120.0052 62.7670 37.2566 176.3492 59 G 3.9614 9.1982 114.6361 45.1532 0.0000 173.8848 60 K 4.2407 7.9304 119.3379 55.4466 33.3361 175.1785 61 N 5.0321 9.1193 120.0271 52.3259 39.7832 175.7550 62 F 3.7964 9.0636 128.9965 61.1204 39.6354 177.0714 63 F 3.7649 7.5969 117.4297 59.4702 39.2618 176.9714 64 K 3.9794 8.4736 121.2787 58.8452 32.2743 176.6412 65 D 4.6372 7.8426 115.3861 55.9765 42.3732 178.0487 66 V 3.6020 7.4195 116.5085 64.9038 32.4643 176.0623 67 A 4.3027 7.3252 121.1769 49.7798 18.5301 175.0453 68 P 4.1293 0.0000 0.0000 64.8235 32.0178 179.0996 69 C 4.2498 7.7060 113.0227 60.3796 29.8623 174.1448 70 T 4.3378 7.7619 109.8187 61.1678 68.8739 174.2299 71 D 5.1652 7.7675 123.5213 52.8706 39.6387 174.8488 72 S 4.7555 7.9373 116.8928 56.0722 65.5305 174.8464 73 P 4.2015 0.0000 0.0000 65.7172 31.1740 178.5100 74 E 3.7951 7.8647 114.9716 57.9226 29.3821 176.1754 75 F 4.4743 7.5532 119.1872 58.5101 42.0684 175.3742 76 Y 4.0348 9.1217 121.0834 60.7550 38.5341 179.0574 77 G 3.4852 8.3835 106.6621 47.8443 0.0000 175.8064 78 K 3.9395 7.5320 121.2645 58.9212 32.0347 179.3795 79 F 4.1761 8.4391 121.1442 60.9497 39.1409 177.0612 80 K 3.6353 8.6526 119.0692 60.5147 32.0159 177.8658 81 E 4.0015 8.3502 120.8744 59.2824 29.3396 178.7147 82 G 3.8105 8.5096 105.8154 46.6743 0.0000 175.0535 83 V 3.5758 7.8380 124.2737 63.2225 31.7019 177.9272 84 A 4.0714 7.8296 120.3452 56.1699 18.2357 179.1915 85 S 4.2346 8.1163 113.1930 59.1901 63.1904 176.0168 86 G 4.1006 9.8035 110.6400 45.6913 0.0000 172.7620 87 N 5.1264 7.6148 115.7185 52.1029 43.5413 173.3259 88 L 4.6770 8.4152 122.9576 54.3705 45.9227 173.7888 89 N 5.2403 8.7257 123.9055 53.5816 40.2833 172.7164 90 T 4.8884 9.3135 120.0057 60.4417 71.6928 171.7878 91 M 5.4341 8.6661 126.2322 53.8741 35.2492 174.1549 92 F 5.0596 8.6227 119.3714 55.9113 41.6718 173.3795 93 E 4.8547 8.9198 119.9014 56.7011 30.7627 174.8619 94 Y 4.8142 8.7483 121.3631 57.2421 43.1771 173.0966 95 T 4.7376 7.8386 119.3697 61.7806 71.1668 173.5929 96 F 5.3322 9.1791 126.4289 56.2560 40.5098 176.5148 97 D 4.9279 8.7880 120.5172 53.3855 40.7164 174.1064 98 Y 4.5060 8.2618 121.3002 57.8318 38.9666 175.1371 99 Q 3.2880 8.4666 128.4596 56.1340 26.4442 173.1855 100 M 4.6139 7.4317 110.4544 54.2766 33.8538 174.4972 101 T 3.9505 8.4068 117.2335 63.0321 69.0876 172.6711 102 P 4.6791 0.0000 0.0000 63.6489 32.1627 175.8811 103 T 4.6127 9.0261 120.2347 61.6531 72.3322 172.9576 104 K 4.6589 8.6626 128.1289 56.0014 33.8740 175.8228 105 V 4.6880 8.8157 119.4566 59.5842 36.8534 173.8154 106 K 4.6513 8.8062 123.5936 54.8219 34.1506 174.9725 107 V 4.9144 8.5922 127.3959 61.2962 34.4330 173.6631 108 H 5.2621 9.5587 127.2412 54.8645 32.5163 171.7154 109 M 5.1525 9.1182 126.4953 53.7552 34.3757 175.3721 110 K 5.1179 9.0023 123.8422 54.6038 36.3018 175.0798 111 K 4.1353 8.9562 129.1696 56.3459 32.6447 176.4690 112 A 4.4477 8.2114 129.1622 51.8352 18.8094 177.6876 113 L 3.9631 8.9206 121.1968 57.8220 42.3227 177.2241 114 S 4.7017 7.7298 110.0633 56.8955 65.5913 175.0995 115 G 3.7607 8.6235 110.2148 46.2675 0.0000 175.3257 116 D 4.5953 8.2546 112.6193 52.3948 41.5623 174.2717 117 S 4.9839 7.1521 116.3441 56.6309 68.0300 173.6234 118 Y 4.7860 8.7594 117.7184 56.2781 42.0719 174.6540 119 W 4.8112 9.2701 124.8366 55.8408 31.2408 175.6781 120 V 4.5522 8.8187 123.6052 61.3314 33.5757 174.1144 121 F 5.7640 9.1552 127.4832 56.0884 41.7268 175.2919 122 V 5.3539 9.4238 121.7710 61.4121 35.2296 174.0658 123 K 4.9928 8.8009 125.3186 54.9611 36.4239 175.7718 124 R 4.3658 8.4689 119.6277 56.2382 31.0661 177.3954 125 V 3.9322 7.8385 114.3623 61.6727 32.4260 175.7061 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 4.39 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 E 8.53 4.12 0.00 1.81 1.76 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 2.32 2.40 0.00 3 H 8.44 4.77 0.00 3.12 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.56 4.33 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 0.81 0.00 0.00 0.88 0.00 0.00 5 A 8.40 4.58 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 6 F 8.48 2.87 0.00 2.43 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 7 G 7.53 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 8 S 7.28 4.09 0.00 4.10 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 9 E 8.79 3.95 0.00 1.89 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 2.27 2.34 0.00 10 D 7.70 4.97 0.00 2.85 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 11 I 7.51 3.54 1.70 0.00 0.00 -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 1.00 0.95 0.80 0.00 0.00 12 E 8.07 4.09 0.00 2.36 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 2.34 2.41 0.00 13 N 8.23 4.53 0.00 3.02 2.91 0.00 0.00 6.88 7.13 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 14 T 7.79 3.89 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 1.17 0.00 0.00 15 L 7.98 4.37 0.00 1.48 1.30 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.23 4.31 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.13 3.94 0.00 1.97 1.95 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.46 7.81 18 M 8.28 4.13 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 19 D 8.52 4.77 0.00 3.02 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 20 D 8.65 4.49 0.00 2.82 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 21 G 8.18 3.77 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 0.00 0.00 0.00 22 Q 8.52 4.13 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 23 L 8.18 3.90 0.00 1.99 1.86 1.01 1.36 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 24 D 7.98 4.63 0.00 2.91 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 25 G 8.08 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 0.00 0.00 0.00 26 L 6.86 4.08 0.00 1.28 0.51 0.61 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.03 4.20 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 28 F 6.67 5.12 0.00 3.38 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 29 G 9.55 4.19 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 0.00 30 A 9.45 5.48 1.44 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 31 I 9.04 5.02 1.65 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 0.62 0.41 0.83 0.00 0.00 32 Q 8.82 4.63 0.00 1.31 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 33 L 8.80 5.33 0.00 1.76 1.58 0.22 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.92 5.00 0.00 2.97 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 35 G 8.67 3.65 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 0.00 0.00 0.00 36 D 8.41 4.63 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 37 G 8.91 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.74 4.91 0.00 3.12 2.75 0.00 0.00 7.03 8.11 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 39 I 8.63 4.29 2.03 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 1.25 0.74 1.03 0.00 0.00 40 L 9.16 4.40 0.00 1.48 1.65 0.81 0.85 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 41 Q 7.71 4.72 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 42 Y 8.48 4.97 0.00 2.96 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 43 N 8.74 5.04 0.00 3.03 2.98 0.00 0.00 6.44 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 44 A 9.05 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.95 3.94 1.33 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 0.00 0.00 0.00 46 E 8.43 4.00 0.00 1.95 1.54 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 1.47 2.14 0.00 47 G 8.28 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 48 D 8.15 4.42 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 49 I 7.82 3.97 2.14 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 1.64 0.68 1.08 0.00 0.00 50 T 8.27 4.59 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 1.52 0.00 0.00 51 G 8.56 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 52 R 7.80 3.99 0.00 2.02 1.63 0.00 3.18 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 53 D 8.35 4.62 0.00 2.72 2.51 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 54 P 0.00 4.06 0.00 2.28 2.64 0.00 3.70 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.52 0.00 55 K 8.01 4.17 0.00 1.71 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.54 7.81 56 Q 8.08 4.09 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 57 V 7.40 3.82 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 0.58 0.00 0.00 0.08 0.00 0.00 58 I 6.86 3.91 1.85 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 1.28 0.59 0.97 0.00 0.00 59 G 9.20 3.96 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 0.00 0.00 0.00 60 K 7.93 4.24 0.00 1.85 1.66 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.42 7.81 61 N 9.12 5.03 0.00 2.76 2.71 0.00 0.00 7.21 7.31 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 62 F 9.06 3.80 0.00 2.71 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 0.00 0.00 0.00 0.00 63 F 7.60 3.76 0.00 2.50 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 0.00 0.00 0.00 0.00 64 K 8.47 3.98 0.00 1.65 1.75 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.36 7.81 65 D 7.84 4.64 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.42 3.60 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 0.61 0.00 0.00 0.80 0.00 0.00 67 A 7.33 4.30 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.13 0.00 1.81 1.87 0.00 3.08 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.44 0.00 69 C 7.71 4.25 0.00 3.26 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 70 T 7.76 4.34 2.94 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 0.60 0.00 0.00 71 D 7.77 5.17 0.00 2.76 2.79 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 72 S 7.94 4.76 0.00 4.28 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 73 P 0.00 4.20 0.00 2.22 2.13 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 74 E 7.86 3.80 0.00 2.31 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 2.44 2.33 0.00 75 F 7.55 4.47 0.00 2.66 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 76 Y 9.12 4.03 0.00 2.88 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 77 G 8.38 3.49 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 0.00 0.00 0.00 0.00 78 K 7.53 3.94 0.00 1.81 1.83 0.00 1.00 0.00 0.00 1.32 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.45 7.81 79 F 8.44 4.18 0.00 3.40 3.25 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 80 K 8.65 3.64 0.00 1.78 1.70 0.00 1.08 0.00 0.00 1.36 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.97 1.47 7.81 81 E 8.35 4.00 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 82 G 8.51 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.84 3.58 1.69 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 1.05 0.00 0.00 -0.72 0.00 0.00 84 A 7.83 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.12 4.23 0.00 3.90 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 86 G 9.80 4.10 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 0.00 0.00 0.00 87 N 7.61 5.13 0.00 2.63 2.69 0.00 0.00 6.52 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.42 4.68 0.00 1.84 1.68 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.73 5.24 0.00 2.78 2.73 0.00 0.00 6.85 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 90 T 9.31 4.89 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 1.42 0.00 0.00 91 M 8.67 5.43 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 92 F 8.62 5.06 0.00 3.23 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 93 E 8.92 4.85 0.00 1.95 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 2.37 2.33 0.00 94 Y 8.75 4.81 0.00 3.28 2.88 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 95 T 7.84 4.74 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 96 F 9.18 5.33 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.79 4.93 0.00 2.78 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 98 Y 8.26 4.51 0.00 2.81 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 99 Q 8.47 3.29 0.00 1.65 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 1.25 1.58 0.00 100 M 7.43 4.61 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 101 T 8.41 3.95 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 1.23 0.00 0.00 102 P 0.00 4.68 0.00 1.96 2.05 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 103 T 9.03 4.61 4.37 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 1.25 0.00 0.00 104 K 8.66 4.66 0.00 1.81 1.63 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.56 7.81 105 V 8.82 4.69 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 0.43 0.00 0.00 0.23 0.00 0.00 106 K 8.81 4.65 0.00 1.63 1.29 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.35 7.81 107 V 8.59 4.91 0.73 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 0.64 0.00 0.00 0.89 0.00 0.00 108 H 9.56 5.26 0.00 2.78 2.85 0.00 5.63 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.12 5.15 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 110 K 9.00 5.12 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 111 K 8.96 4.14 0.00 1.83 1.67 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.16 0.58 7.81 112 A 8.21 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.92 3.96 0.00 1.79 1.77 1.00 0.87 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 0.00 114 S 7.73 4.70 0.00 3.84 3.71 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 0.00 115 G 8.62 3.76 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 0.00 0.00 0.00 116 D 8.25 4.60 0.00 2.58 2.55 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 0.00 117 S 7.15 4.98 0.00 3.74 3.73 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 0.00 118 Y 8.76 4.79 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 0.00 119 W 9.27 4.81 0.00 2.94 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 0.00 0.00 0.00 120 V 8.82 4.55 1.88 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 1.19 0.00 0.00 0.87 0.00 0.00 121 F 9.16 5.76 0.00 2.94 2.82 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 0.00 122 V 9.42 5.35 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 1.27 0.00 0.00 1.33 0.00 0.00 123 K 8.80 4.99 0.00 1.59 1.50 0.00 1.00 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.88 7.81 124 R 8.47 4.37 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 125 V 7.84 3.93 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 0.57 0.00 0.00 0.91 0.00 0.00