NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.4338 8.1849 120.6303 54.4988 43.2643 175.6134 3 L 4.8080 9.0313 122.8157 52.5294 44.7273 174.5905 4 F 5.2329 8.9530 120.4797 55.5778 42.5626 174.9934 5 N 4.6317 8.8535 121.9370 53.3151 37.9484 174.4522 6 K 4.4100 8.5229 126.4213 55.9858 33.3733 176.2798 7 T 4.7089 8.1201 119.5575 61.4781 72.0790 174.0639 8 K 4.1146 9.0540 127.9339 59.0736 32.4852 176.5197 9 S 4.6984 7.3393 108.7712 57.9238 64.9966 174.2686 10 V 4.6523 8.2093 113.4034 59.6531 35.4004 174.6926 11 E 4.8725 8.6097 120.9674 54.4324 32.5414 174.5506 12 F 5.1623 8.5928 118.5886 55.2760 41.3992 173.1787 13 T 4.6354 9.0587 111.4487 59.2236 71.5719 174.6111 14 F 4.3133 9.2004 115.6115 59.7245 37.6747 176.8710 15 G 3.1220 6.8351 109.6468 47.4998 0.0000 173.3997 16 N 4.4626 7.9667 117.9816 53.2614 38.5276 174.8026 17 D 4.6928 8.6743 124.6381 56.8815 42.1186 176.3694 18 T 4.9671 7.5817 105.9728 60.2610 72.2053 173.5484 19 V 4.4655 8.6159 114.9647 59.4877 36.1121 174.7334 20 V 4.6013 8.1451 121.5420 61.1523 34.3300 174.6549 21 I 4.4079 8.3659 129.1377 58.6935 38.7560 173.4366 22 P 4.7340 0.0000 0.0000 63.1723 32.6240 176.8904 23 C 4.8148 8.2123 121.6995 55.9898 43.0264 172.5904 24 F 5.3572 9.0336 124.9034 55.7616 42.3927 174.0309 25 V 3.9728 9.1518 125.8989 62.1415 32.2236 176.5915 26 T 4.4711 8.8030 118.1340 61.9703 69.4363 174.3670 27 N 5.0635 7.4567 119.6820 52.5463 37.8300 174.5851 28 M 4.3357 8.1443 117.3863 56.9664 32.7143 176.4135 29 E 4.5411 9.5896 119.2734 55.9578 32.1045 176.7805 30 A 4.0476 8.3930 121.4053 52.8620 18.6326 177.2677 31 Q 4.3379 8.6199 120.8470 56.8053 29.6649 175.3197 32 N 5.0670 7.6048 114.6812 51.9581 42.2156 174.1205 33 T 4.2926 8.5104 111.8866 63.3167 69.4711 176.4715 34 T 4.3839 8.1341 118.9628 65.7252 68.7514 174.6952 35 E 4.6629 8.1955 119.0610 55.9105 30.3777 174.5585 36 V 4.9424 7.8321 119.4696 61.4675 33.9254 173.8621 37 Y 5.0901 9.1599 128.2449 55.7650 42.1489 174.0860 38 V 5.0136 8.4362 125.4369 61.0168 35.3144 174.0169 39 K 5.1360 9.2809 128.2113 54.6784 35.4334 174.5128 40 W 5.2932 9.5478 127.8789 55.1900 31.3414 175.4739 41 K 5.2871 9.5333 123.5829 54.7653 35.7618 175.0977 42 F 4.6638 8.9782 124.6557 57.1801 42.8808 174.7559 43 K 3.4781 7.9289 125.8372 57.4639 30.0363 175.5090 44 G 3.9156 8.1793 101.6957 45.9469 0.0000 173.5848 45 R 4.6946 7.6100 114.9719 53.5532 32.2125 174.5668 46 D 4.9563 8.6992 119.8957 54.6175 40.9431 176.2785 47 I 4.3081 8.5532 118.1330 61.1660 38.8965 175.2532 48 Y 4.9725 7.6387 123.7073 56.8526 42.3014 173.0387 49 T 4.9950 7.9658 116.0228 59.7895 72.7567 172.2575 50 F 4.8709 8.8178 127.1463 56.4702 42.0193 173.5275 51 D 4.2853 8.1592 127.5103 52.1317 41.5285 177.0201 52 G 3.3116 8.1463 116.6938 48.0528 0.0000 174.2746 53 A 3.9550 7.8679 122.1154 54.8843 18.3574 178.4121 54 L 4.2127 7.8235 112.6647 54.3379 42.6200 175.8015 55 N 4.2119 7.5320 116.4634 54.4670 37.9421 173.5025 56 K 4.8515 7.2552 113.8647 54.6976 37.1548 176.4566 57 S 5.1255 8.7316 117.9342 57.0460 66.1362 173.5931 58 T 4.6335 8.4142 119.8392 61.8291 71.5723 173.4950 59 V 4.8919 8.2660 118.5254 58.7792 35.7285 173.8846 60 P 4.6191 0.0000 0.0000 62.4312 32.3291 177.5214 61 T 3.9665 8.4568 116.4293 66.6309 68.4843 175.5967 62 D 4.5721 8.1495 119.0111 54.8241 40.2755 176.1740 63 F 4.7765 8.0802 120.2097 56.6816 39.6370 177.2975 64 S 4.2631 8.3427 116.5774 60.9817 63.0849 175.3009 65 S 4.3418 8.2128 113.8192 58.7879 63.4761 174.2714 66 A 4.3556 7.7361 124.4451 52.5414 18.4890 177.0447 67 K 4.5583 8.6693 120.7003 55.5097 36.3376 174.9943 68 I 4.5672 7.6851 114.3871 59.1288 40.8595 175.5335 69 E 4.2187 8.3355 122.9588 54.9654 28.6553 177.2170 70 V 3.2349 8.0764 124.9584 65.5697 31.3107 177.2171 71 S 4.2800 7.9978 112.0635 60.1887 62.9166 174.9887 72 Q 4.5309 7.9657 120.8556 55.7831 29.6283 177.2235 73 L 4.2163 7.6484 122.6789 57.2769 41.4594 179.2482 74 L 4.3432 7.8089 117.0281 57.2342 41.7657 178.1012 75 K 4.0852 7.6948 116.6353 57.2833 32.3179 177.9333 76 G 4.0306 8.7830 108.0578 46.2783 0.0000 172.3820 77 D 4.5190 7.9266 119.8622 53.4347 41.1256 175.7132 78 A 4.7566 8.4839 128.9070 51.6407 19.9925 176.1278 79 S 4.3943 8.1866 114.8505 60.3066 63.7166 173.7948 80 L 3.9722 8.1543 126.3161 53.5350 43.3483 175.2423 81 K 4.9966 8.3960 125.9345 55.0209 35.1792 175.0150 82 M 4.9031 8.1858 119.6792 54.2607 35.1865 173.8396 83 D 4.8097 9.0648 120.0304 52.2136 40.8581 177.5883 84 K 3.8274 8.4752 120.6295 60.0625 32.3209 179.3923 85 S 4.0588 8.0134 114.8350 61.6622 62.6516 176.2649 86 D 4.1307 8.5368 121.7858 56.3413 40.7411 178.4580 87 A 3.9426 7.8334 121.3358 55.1347 18.1497 179.6628 88 V 3.8702 8.1484 115.8856 66.2915 31.7198 177.7495 89 S 4.3780 7.7168 110.5289 59.3639 64.4735 173.7561 90 H 4.8208 7.7308 119.1410 54.6355 29.1632 173.2886 91 T 4.5924 7.9593 109.5499 61.5240 70.9062 175.5205 92 G 3.8757 8.5109 109.0158 44.9812 0.0000 171.8879 93 N 5.0388 8.7762 119.5705 52.3989 40.1873 173.9262 94 Y 5.2454 9.0697 121.5221 56.7142 40.7799 175.1874 95 T 4.5385 9.2150 119.7726 61.8591 71.5928 172.1840 96 C 3.9834 8.2644 126.4072 54.3642 44.4958 172.1357 97 E 4.7224 8.9395 128.1143 54.2720 31.7992 174.6249 98 V 5.0478 8.6580 125.9703 61.4782 34.6429 174.5636 99 T 4.7659 9.1296 123.1469 61.8409 72.5516 172.5158 100 E 5.0697 8.7805 125.1334 54.6079 31.1430 176.0851 101 L 4.3856 8.9495 125.5006 54.0984 42.8473 177.3960 102 T 4.0266 8.4301 117.1640 64.0169 68.9937 174.2842 103 R 4.7253 8.2778 122.8512 54.4673 33.5380 174.4911 104 E 4.7154 8.1916 117.9551 55.2242 32.7694 174.0499 105 G 4.0660 7.9436 105.8968 45.3396 0.0000 172.4327 106 E 4.7665 8.4431 116.7787 54.8976 32.7178 174.4374 107 T 4.6863 8.1166 112.6792 60.5450 70.6543 172.8219 108 I 4.5698 8.2161 126.3871 59.4541 39.6686 175.2859 109 I 4.5482 8.0919 124.4706 59.3278 40.2853 174.4358 110 E 4.2353 8.7472 125.9456 55.0373 30.3767 174.9640 111 L 4.4649 8.4393 128.2207 53.6649 42.8559 175.3897 112 K 4.5986 8.5524 125.3927 54.6405 34.4615 174.8154 113 Y 4.6177 8.5778 124.0432 55.9269 39.8003 174.5876 114 R 4.3786 7.9659 127.2103 54.5192 32.1519 175.8538 115 V 3.7058 7.9680 121.9393 62.9061 31.5778 175.3729 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 L 8.18 4.43 0.00 1.64 1.40 0.94 0.57 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 3 L 9.03 4.81 0.00 1.52 1.55 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.95 5.23 0.00 2.86 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 5 N 8.85 4.63 0.00 2.80 2.92 0.00 0.00 7.14 6.68 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 6 K 8.52 4.41 0.00 1.83 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.46 7.81 7 T 8.12 4.71 4.35 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 1.33 0.00 0.00 8 K 9.05 4.11 0.00 1.75 1.88 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 9 S 7.34 4.70 0.00 4.04 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.21 4.65 2.14 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 0.79 0.00 0.00 0.97 0.00 0.00 11 E 8.61 4.87 0.00 1.92 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 2.18 2.27 0.00 12 F 8.59 5.16 0.00 3.28 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 13 T 9.06 4.64 4.38 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 1.22 0.00 0.00 14 F 9.20 4.31 0.00 3.21 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 15 G 6.84 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.97 4.46 0.00 3.02 3.01 0.00 0.00 7.02 7.44 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 17 D 8.67 4.69 0.00 2.56 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 18 T 7.58 4.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 19 V 8.62 4.47 1.75 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 0.08 0.00 0.00 0.48 0.00 0.00 20 V 8.15 4.60 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 0.75 0.00 0.00 0.84 0.00 0.00 21 I 8.37 4.41 1.14 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 0.89 -0.03 0.96 0.00 0.00 22 P 0.00 4.73 0.00 2.41 2.33 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 23 C 8.21 4.81 0.00 3.15 3.07 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 24 F 9.03 5.36 0.00 3.03 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 25 V 9.15 3.97 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 0.69 0.00 0.00 0.37 0.00 0.00 26 T 8.80 4.47 4.23 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 0.00 0.00 1.25 0.00 0.00 27 N 7.46 5.06 0.00 2.76 2.83 0.00 0.00 6.12 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 28 M 8.14 4.34 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 29 E 9.59 4.54 0.00 1.99 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 2.22 2.36 0.00 30 A 8.39 4.05 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 31 Q 8.62 4.34 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 32 N 7.60 5.07 0.00 2.64 2.65 0.00 0.00 7.04 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 33 T 8.51 4.29 4.64 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 1.25 0.00 0.00 34 T 8.13 4.38 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 1.22 0.00 0.00 35 E 8.20 4.66 0.00 2.00 1.94 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 2.32 2.22 0.00 36 V 7.83 4.94 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 1.07 0.00 0.00 1.01 0.00 0.00 37 Y 9.16 5.09 0.00 3.09 2.74 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 38 V 8.44 5.01 2.36 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 1.13 0.00 0.00 1.08 0.00 0.00 39 K 9.28 5.14 0.00 2.06 1.69 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.53 7.81 40 W 9.55 5.29 0.00 3.43 3.24 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 41 K 9.53 5.29 0.00 1.65 1.75 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.38 7.81 42 F 8.98 4.66 0.00 2.58 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 43 K 7.93 3.48 0.00 1.61 1.60 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.55 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.93 0.21 7.81 44 G 8.18 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.61 4.69 0.00 2.04 2.04 0.00 2.84 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 46 D 8.70 4.96 0.00 2.73 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 47 I 8.55 4.31 0.58 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.56 0.72 0.00 0.00 48 Y 7.64 4.97 0.00 3.06 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 49 T 7.97 5.00 4.04 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 0.00 0.00 1.26 0.00 0.00 50 F 8.82 4.87 0.00 3.30 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 51 D 8.16 4.29 0.00 2.52 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 0.00 0.00 0.00 52 G 8.15 3.31 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 0.00 53 A 7.87 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.82 4.21 0.00 1.53 1.67 0.89 0.99 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 55 N 7.53 4.21 0.00 2.86 2.88 0.00 0.00 6.91 6.82 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 56 K 7.26 4.85 0.00 1.60 1.57 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.65 7.81 57 S 8.73 5.13 0.00 3.78 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 58 T 8.41 4.63 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 59 V 8.27 4.89 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 0.96 0.00 0.00 0.99 0.00 0.00 60 P 0.00 4.62 0.00 2.51 2.24 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 61 T 8.46 3.97 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 62 D 8.15 4.57 0.00 2.82 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 63 F 8.08 4.78 0.00 3.07 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 64 S 8.34 4.26 0.00 4.00 4.20 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 65 S 8.21 4.34 0.00 3.98 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 66 A 7.74 4.36 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 67 K 8.67 4.56 0.00 1.74 1.84 0.00 1.17 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.22 7.81 68 I 7.69 4.57 1.70 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 1.22 0.55 0.49 0.00 0.00 69 E 8.34 4.22 0.00 1.93 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 0.00 2.25 2.16 0.00 70 V 8.08 3.23 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 0.73 0.00 0.00 0.32 0.00 0.00 71 S 8.00 4.28 0.00 4.03 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 72 Q 7.97 4.53 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 73 L 7.65 4.22 0.00 1.78 1.68 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.81 4.34 0.00 1.63 1.74 0.97 0.99 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 75 K 7.69 4.09 0.00 1.90 1.90 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.39 7.81 76 G 8.78 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 77 D 7.93 4.52 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.48 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.19 4.39 0.00 3.62 3.74 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 80 L 8.15 3.97 0.00 0.27 0.13 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.40 5.00 0.00 1.59 1.49 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.13 7.81 82 M 8.19 4.90 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 83 D 9.06 4.81 0.00 2.82 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 84 K 8.48 3.83 0.00 2.08 2.34 0.00 1.38 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.46 7.81 85 S 8.01 4.06 0.00 4.03 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 86 D 8.54 4.13 0.00 2.71 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 87 A 7.83 3.94 0.70 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 0.00 0.00 88 V 8.15 3.87 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.21 0.00 0.00 89 S 7.72 4.38 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 7.73 4.82 0.00 2.89 1.99 0.00 5.84 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 91 T 7.96 4.59 4.45 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 1.56 0.00 0.00 92 G 8.51 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 93 N 8.78 5.04 0.00 2.63 2.79 0.00 0.00 6.75 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 94 Y 9.07 5.25 0.00 3.14 3.41 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 95 T 9.22 4.54 4.23 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 0.00 0.00 1.09 0.00 0.00 96 C 8.26 3.98 0.00 1.23 2.21 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 97 E 8.94 4.72 0.00 1.92 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 2.23 2.21 0.00 98 V 8.66 5.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.01 0.00 0.00 99 T 9.13 4.77 4.35 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 1.22 0.00 0.00 100 E 8.78 5.07 0.00 1.84 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 2.25 2.32 0.00 101 L 8.95 4.39 0.00 1.68 1.60 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.43 4.03 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 103 R 8.28 4.73 0.00 1.75 1.78 0.00 3.19 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 104 E 8.19 4.72 0.00 2.01 1.87 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 2.17 2.30 0.00 105 G 7.94 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 0.00 106 E 8.44 4.77 0.00 2.02 1.87 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 2.17 2.28 0.00 107 T 8.12 4.69 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 108 I 8.22 4.57 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.91 0.00 0.00 109 I 8.09 4.55 1.88 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 1.30 0.48 0.92 0.00 0.00 110 E 8.75 4.24 0.00 1.93 1.85 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 2.27 2.30 0.00 111 L 8.44 4.46 0.00 1.63 1.58 0.95 0.61 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 0.00 112 K 8.55 4.60 0.00 1.77 1.70 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.40 7.81 113 Y 8.58 4.62 0.00 2.84 2.89 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 0.00 114 R 7.97 4.38 0.00 1.69 1.61 0.00 3.21 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 115 V 7.97 3.71 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 0.83 0.00 0.00 0.88 0.00 0.00