NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2913 8.3031 122.0243 56.0084 32.7572 175.0389 3 G 3.6639 8.4057 114.8608 44.5780 0.0000 169.4055 4 D 4.4703 8.6759 120.3503 53.8123 42.3896 175.3067 5 K 3.8695 8.9649 126.4835 59.8336 32.0946 179.0819 6 K 3.9466 8.4847 118.7860 59.0911 31.9380 179.5407 7 V 3.5416 7.8601 118.1307 66.1730 31.5044 177.9691 8 I 3.7604 7.7805 119.4727 64.4458 36.8963 178.2718 9 Q 3.9278 8.1276 120.4603 59.2454 28.8742 177.6844 10 H 4.1232 8.3898 117.5717 58.9634 28.7110 177.7000 11 L 4.0279 8.5299 120.9437 57.9286 41.3504 179.3765 12 N 4.3661 8.3931 116.5572 56.0949 38.4505 177.4244 13 K 3.9365 8.2233 121.1339 59.4804 32.3144 178.9674 14 I 3.7011 7.9273 120.1832 64.1644 36.9825 177.9506 15 L 4.0432 8.3817 121.7684 58.2727 41.7498 179.1574 16 G 3.6988 8.3540 105.7553 48.0669 0.0000 175.2902 17 N 4.3507 8.1539 118.6855 56.0474 38.5289 177.2279 18 E 3.9658 8.2486 119.9279 59.6186 29.0716 179.5582 19 L 4.0557 8.0785 118.8380 57.6317 41.5111 179.7661 20 I 3.6728 7.5445 119.8061 64.2000 36.9922 178.2593 21 A 3.2595 7.8844 121.5787 54.7969 18.1299 179.3893 22 I 3.5867 7.8716 118.7675 64.9732 37.2522 178.3998 23 N 4.3949 7.7012 115.8112 56.0744 38.2971 177.4219 24 Q 3.8519 8.1209 121.1154 59.5233 29.1440 177.9210 25 Y 4.8550 7.9290 119.2861 60.5802 37.8772 178.4189 26 F 3.9030 8.4843 121.6016 61.1288 39.4339 176.9811 27 L 3.9360 8.1812 119.8607 58.6169 41.8764 178.4262 28 H 3.7881 8.3091 116.4324 58.8346 28.4538 177.6134 29 S 4.3291 8.2757 115.0099 61.7565 62.2076 176.6254 30 R 3.8205 7.8135 120.4968 59.0770 29.6915 179.0604 31 M 3.4736 7.8923 119.0454 57.9284 31.8217 178.7356 32 W 4.4842 8.0935 119.3834 59.7676 29.1111 178.3638 33 N 4.3436 8.5401 116.7538 56.5005 37.8361 176.6650 34 D 4.3282 7.9553 118.2278 57.3504 41.2741 177.9076 35 W 4.8408 7.8006 116.4122 57.0136 29.6252 177.1503 36 G 3.9786 8.5678 108.3871 46.3930 0.0000 174.1910 37 L 4.8252 7.9814 121.7918 53.4483 38.5785 177.2506 38 K 4.1327 8.5139 121.7225 58.8390 32.5443 179.1530 39 R 3.8714 7.8678 119.1367 59.2479 29.9514 178.3527 40 L 3.7551 7.7993 118.4787 57.6923 41.4297 179.6161 41 G 3.7742 8.1762 105.3076 47.7459 0.0000 175.6674 42 A 3.9920 8.3737 123.6315 55.1216 18.4688 179.0653 43 H 3.8634 8.1860 116.8481 59.5230 29.7686 177.0597 44 E 3.9927 8.6888 121.4267 59.2923 29.4197 177.9125 45 Y 4.0440 8.3116 119.8611 61.2302 38.8066 178.1034 46 H 4.0150 8.1743 116.8915 58.7753 28.8724 177.6776 47 E 3.8888 8.2333 120.4974 59.2279 29.2199 179.1376 48 S 4.2830 8.2891 113.2761 61.7430 62.4887 176.4259 49 I 3.6075 7.7079 122.3882 64.3244 36.7105 177.9201 50 D 4.3216 8.1306 119.7521 57.7374 40.6509 179.0320 51 E 4.0114 8.1366 118.2868 59.4153 29.4404 179.0509 52 M 4.0181 8.0027 118.9175 58.6226 32.1772 179.0385 53 K 4.0421 7.9292 118.3050 59.5145 32.1295 179.1570 54 H 4.2563 8.3697 116.5581 58.7498 28.6038 177.4541 55 A 3.9728 8.3808 122.8922 55.2842 18.2441 178.8667 56 D 4.2926 8.1120 116.3195 57.7482 41.2596 178.8299 57 K 3.9888 7.9304 118.2012 59.4634 31.9481 179.3710 58 L 4.0265 8.1795 119.3179 57.7629 41.4581 179.5680 59 I 3.7054 8.1649 120.1274 64.4634 36.9935 178.2709 60 E 3.9729 8.2740 119.3012 59.3728 29.2615 179.4674 61 R 3.9706 8.0687 118.5090 59.6450 30.1621 178.2463 62 I 3.6983 8.0440 119.9673 64.7209 37.0680 178.3586 63 L 3.9818 8.2524 119.6044 57.8115 41.2778 179.2559 64 F 4.2962 8.3542 119.6711 61.1983 39.6270 176.3057 65 L 3.9338 8.1139 116.2464 54.2931 41.1639 177.1212 66 E 3.5103 8.1942 117.9376 57.3395 27.0866 174.8515 67 G 3.8676 8.0584 108.1310 44.4773 0.0000 173.9330 68 L 4.5281 7.9935 119.0713 52.0110 42.2942 175.2486 69 P 4.3671 0.0000 0.0000 62.4020 31.7917 175.8815 70 N 4.6497 9.3997 122.7201 52.6319 38.4287 174.0810 71 L 4.6347 8.3681 124.3876 54.5630 42.3806 177.2217 72 Q 4.1822 8.6282 122.2083 57.2480 29.6167 175.5432 73 D 4.6286 8.0811 117.7244 52.5680 41.7235 175.3856 74 L 4.4851 8.2861 126.3191 52.7102 43.2287 176.2679 75 G 3.7739 8.3196 116.4028 44.9222 0.0000 170.7911 76 K 4.1539 8.3539 121.1062 55.2860 32.2282 177.0067 77 L 4.0089 8.4264 127.2665 54.7132 42.0586 176.9829 78 L 4.4339 8.4978 124.3893 53.4138 41.1125 175.5467 79 I 4.3545 8.1178 124.7149 59.4580 38.3960 176.7238 80 G 4.0174 8.6371 114.6147 44.8481 0.0000 172.5770 81 E 4.6468 8.5331 117.4197 56.2440 31.4709 176.1732 82 N 5.1159 7.6526 115.1777 50.5576 42.0357 174.8210 83 T 4.3168 8.4729 113.3290 65.3626 67.5750 175.6519 84 Q 4.0025 8.2420 121.1958 59.3962 29.0457 178.1716 85 E 4.0609 8.7096 119.5267 59.4419 29.4807 179.2896 86 M 3.8688 8.3375 118.9884 58.3685 32.0086 178.7637 87 L 4.1623 8.2383 119.1549 57.9207 41.7575 179.4639 88 Q 3.9994 8.0794 119.0808 59.2591 28.9937 177.7884 89 C 4.2204 8.3575 117.9493 63.0833 28.0838 175.9324 90 D 4.6567 8.3422 120.4567 57.1862 40.3119 178.6228 91 L 4.0071 8.0999 120.9690 58.2616 42.1508 178.6306 92 N 4.3401 8.6435 116.9260 56.3067 38.3888 177.1445 93 L 3.9907 8.0738 121.6069 58.2303 42.2488 178.7971 94 E 4.0801 8.6389 118.8365 59.5331 29.4167 179.3673 95 L 4.0359 8.3542 119.3148 57.5856 41.6751 179.4582 96 K 3.9013 8.1439 119.3527 59.5788 32.1687 178.6815 97 A 4.0377 8.3900 121.3520 55.4110 18.2253 179.4756 98 T 3.9213 8.1581 111.6482 64.7024 67.0523 176.5173 99 K 3.8527 8.0173 121.7438 59.8687 32.2255 178.4070 100 D 4.4197 8.0771 118.8644 57.4387 40.6012 178.8889 101 L 4.0332 8.0193 119.5265 57.7783 41.6006 179.7659 102 R 3.9236 8.0266 118.1351 59.3491 30.0002 178.9891 103 E 4.0270 8.0287 117.7291 59.1002 29.4687 179.1946 104 A 3.5837 7.9523 121.0435 55.0275 18.3358 179.8085 105 I 3.6917 8.0944 118.7568 64.1529 37.1069 178.4558 106 V 3.5507 7.7799 119.3024 66.5894 31.3181 177.5930 107 H 3.9181 8.0810 117.5172 59.3849 29.6575 176.9375 108 C 4.0767 8.1101 118.5517 62.6734 27.9532 175.6862 109 E 3.8277 8.3343 120.9940 59.3736 29.0531 178.5067 110 Q 3.9601 7.9598 118.2769 58.7577 29.0569 177.9190 111 V 4.0115 7.1333 109.6999 60.7044 31.8902 175.6615 112 H 3.1481 7.4738 113.9921 57.0801 26.6752 176.2688 113 D 4.5348 7.2830 121.2076 53.5074 38.5424 175.7242 114 Y 4.2644 7.6423 121.8309 60.1620 38.3913 177.5378 115 V 3.6203 7.8419 118.9844 66.1533 31.8567 177.9939 116 S 4.1387 8.3339 114.9416 61.6234 62.6265 176.5238 117 R 3.8981 8.0708 121.2804 59.6972 29.7925 177.9928 118 D 4.3197 8.3680 117.8436 57.0982 41.1170 177.8630 119 L 3.9472 8.0976 120.8845 58.3316 42.1644 179.0053 120 L 3.9691 8.0077 118.7672 57.7752 41.4315 179.7497 121 K 4.0845 8.3356 118.6019 59.4428 32.0573 179.1850 122 D 4.3348 8.2336 119.2313 57.4587 40.7668 178.9004 123 I 3.5618 7.9727 120.5532 64.1061 36.9786 178.2932 124 L 3.9428 8.2770 121.6575 58.0379 41.9256 178.4765 125 E 3.8995 8.3941 119.5050 59.4761 29.5035 178.8386 126 S 4.0914 7.9618 112.6046 61.4068 62.3624 176.0286 127 E 4.0171 8.1877 121.3798 59.3153 29.1748 179.1366 128 E 4.0429 8.4915 118.8881 59.2235 29.4763 179.1712 129 E 4.0601 8.2861 118.9935 59.5753 29.3884 179.0351 130 H 4.4121 8.2391 116.3858 59.0288 28.7372 177.8478 131 I 3.7562 8.2363 122.0020 64.3915 36.8845 178.0105 132 D 4.2970 8.3520 118.8583 57.4172 41.0830 177.4605 133 Y 4.1310 8.1716 120.0060 60.8126 38.8020 178.2583 134 L 3.5699 8.1725 119.8169 57.8787 41.7413 179.4795 135 E 3.9457 8.3329 118.5927 59.6065 29.2437 179.6019 136 T 3.8502 7.9829 115.9829 66.5374 68.4684 176.8345 137 Q 3.7191 7.8278 119.9889 58.7954 28.1912 178.5883 138 L 3.8777 7.7290 120.0912 57.8196 41.6162 179.9472 139 G 3.5963 8.3611 105.9273 47.7002 0.0000 175.8017 140 L 4.0581 7.9446 121.4451 57.4080 41.7007 179.4621 141 I 3.5536 7.3738 119.9110 64.4962 36.7766 178.3604 142 Q 3.9893 7.3952 116.5447 58.8337 28.5547 178.7909 143 K 4.1743 7.6320 118.1000 58.5325 32.4838 178.8489 144 V 4.2211 8.1894 109.8091 59.7630 33.0636 176.9242 145 G 4.1266 7.5668 105.1856 45.8327 0.0000 174.4238 146 L 3.9716 8.5195 122.3378 58.0699 42.1512 179.3427 147 E 3.9572 8.1444 117.8316 59.6152 29.5145 178.8300 148 N 4.3251 8.2031 115.8916 56.5907 38.4018 176.6669 149 Y 4.0499 7.8524 119.6022 60.6807 39.1558 177.7614 150 L 4.0541 8.3618 120.2366 57.6495 41.4404 178.8710 151 Q 3.8964 8.4701 120.0016 59.6557 28.7342 178.9621 152 S 4.2143 7.9400 113.1738 60.2005 63.1444 174.5358 153 H 4.6772 7.7747 119.3182 55.6580 29.5189 176.1826 154 M 4.1141 7.7216 120.4091 57.6194 32.3319 175.5511 155 H 5.1752 7.6554 113.9942 54.0409 30.7269 174.8271 156 E 4.1581 8.6835 121.6324 56.7439 29.3995 176.6616 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.30 4.29 0.00 1.98 1.78 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.03 7.81 3 G 8.41 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 4 D 8.68 4.47 0.00 2.79 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 5 K 8.96 3.87 0.00 1.83 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.52 7.81 6 K 8.48 3.95 0.00 1.77 1.61 0.00 1.83 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 1.44 1.61 7.81 7 V 7.86 3.54 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 0.87 0.00 0.00 0.92 0.00 0.00 8 I 7.78 3.76 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.38 0.89 0.00 0.00 9 Q 8.13 3.93 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 10 H 8.39 4.12 0.00 3.45 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.53 4.03 0.00 1.81 1.73 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.39 4.37 0.00 2.83 2.85 0.00 0.00 6.66 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.22 3.94 0.00 1.89 1.97 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.93 3.70 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.04 0.92 0.00 0.00 15 L 8.38 4.04 0.00 1.80 1.89 0.92 0.98 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 16 G 8.35 3.70 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 0.00 17 N 8.15 4.35 0.00 2.99 2.89 0.00 0.00 7.04 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 18 E 8.25 3.97 0.00 2.20 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 2.57 2.54 0.00 19 L 8.08 4.06 0.00 1.81 1.68 0.90 0.65 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 20 I 7.54 3.67 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.88 0.00 0.00 21 A 7.88 3.26 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.87 3.59 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 0.87 0.00 0.00 23 N 7.70 4.39 0.00 2.79 2.83 0.00 0.00 6.74 7.69 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 24 Q 8.12 3.85 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 25 Y 7.93 4.86 0.00 3.09 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 26 F 8.48 3.90 0.00 3.31 3.09 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 27 L 8.18 3.94 0.00 1.83 1.80 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.31 3.79 0.00 3.28 2.65 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.28 4.33 0.00 4.00 3.83 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 30 R 7.81 3.82 0.00 1.85 1.86 0.00 2.94 0.00 0.00 2.48 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 31 M 7.89 3.47 0.00 0.90 1.62 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.15 0.00 32 W 8.09 4.48 0.00 3.62 3.32 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 0.00 33 N 8.54 4.34 0.00 2.86 2.84 0.00 0.00 6.62 8.48 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 34 D 7.96 4.33 0.00 2.54 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 35 W 7.80 4.84 0.00 3.77 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.57 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 37 L 7.98 4.83 0.00 2.08 1.63 1.29 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.51 4.13 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.61 7.81 39 R 7.87 3.87 0.00 1.90 1.94 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 40 L 7.80 3.76 0.00 1.27 0.13 0.41 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 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 42 A 8.37 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.19 3.86 0.00 3.31 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.69 3.99 0.00 2.52 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 0.00 2.76 2.60 0.00 45 Y 8.31 4.04 0.00 3.01 3.09 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 46 H 8.17 4.01 0.00 3.32 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.23 3.89 0.00 1.96 1.78 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 2.35 2.26 0.00 48 S 8.29 4.28 0.00 4.06 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 49 I 7.71 3.61 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.32 0.84 0.00 0.00 50 D 8.13 4.32 0.00 2.93 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 51 E 8.14 4.01 0.00 2.00 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 0.00 2.72 2.51 0.00 52 M 8.00 4.02 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 53 K 7.93 4.04 0.00 1.93 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 54 H 8.37 4.26 0.00 3.48 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.38 3.97 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 56 D 8.11 4.29 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.93 3.99 0.00 2.16 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 58 L 8.18 4.03 0.00 1.87 1.73 0.97 0.68 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 59 I 8.16 3.71 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.92 0.00 0.00 60 E 8.27 3.97 0.00 2.03 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 2.34 2.54 0.00 61 R 8.07 3.97 0.00 2.03 2.16 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.04 3.70 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.91 0.00 0.00 63 L 8.25 3.98 0.00 2.08 1.77 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.35 4.30 0.00 2.94 3.26 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 65 L 8.11 3.93 0.00 1.81 1.58 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.19 3.51 0.00 1.98 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 2.17 2.24 0.00 67 G 8.06 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 0.00 0.00 0.00 68 L 7.99 4.53 0.00 1.62 1.61 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.37 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 70 N 9.40 4.65 0.00 2.61 2.74 0.00 0.00 7.08 7.82 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 71 L 8.37 4.63 0.00 1.61 1.62 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.63 4.18 0.00 1.95 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 73 D 8.08 4.63 0.00 2.69 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 74 L 8.29 4.49 0.00 1.51 1.53 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.32 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 76 K 8.35 4.15 0.00 1.70 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.52 7.81 77 L 8.43 4.01 0.00 1.64 1.57 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.50 4.43 0.00 1.71 1.69 0.96 0.87 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 79 I 8.12 4.35 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.79 0.91 0.00 0.00 80 G 8.64 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 81 E 8.53 4.65 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 82 N 7.65 5.12 0.00 2.86 2.82 0.00 0.00 5.93 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.47 4.32 5.30 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 1.57 0.00 0.00 84 Q 8.24 4.00 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 85 E 8.71 4.06 0.00 2.37 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 2.35 2.36 0.00 86 M 8.34 3.87 0.00 1.30 2.18 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.09 0.00 87 L 8.24 4.16 0.00 1.74 1.71 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.08 4.00 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.36 4.22 0.00 3.36 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 90 D 8.34 4.66 0.00 2.94 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 91 L 8.10 4.01 0.00 1.86 1.86 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.64 4.34 0.00 2.78 2.90 0.00 0.00 6.70 6.49 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 93 L 8.07 3.99 0.00 1.97 1.93 0.93 1.03 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 94 E 8.64 4.08 0.00 2.28 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 2.74 2.66 0.00 95 L 8.35 4.04 0.00 1.84 1.75 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.14 3.90 0.00 1.91 2.00 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.39 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.16 3.92 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 1.33 0.00 0.00 99 K 8.02 3.85 0.00 1.90 1.98 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 D 8.08 4.42 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.02 4.03 0.00 1.97 1.72 0.92 1.03 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 0.00 102 R 8.03 3.92 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 103 E 8.03 4.03 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 104 A 7.95 3.58 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 0.00 105 I 8.09 3.69 2.06 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 1.41 0.62 0.92 0.00 0.00 106 V 7.78 3.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 107 H 8.08 3.92 0.00 3.36 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.11 4.08 0.00 3.13 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 0.00 109 E 8.33 3.83 0.00 2.10 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 0.00 2.36 2.43 0.00 110 Q 7.96 3.96 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 111 V 7.13 4.01 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 0.84 0.00 0.00 0.97 0.00 0.00 112 H 7.47 3.15 0.00 3.24 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.28 4.53 0.00 2.64 2.46 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 0.00 0.00 0.00 0.00 114 Y 7.64 4.26 0.00 3.11 2.97 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 0.00 115 V 7.84 3.62 2.16 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 1.10 0.00 0.00 1.01 0.00 0.00 116 S 8.33 4.14 0.00 4.05 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.07 3.90 0.00 1.90 2.21 0.00 3.16 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 118 D 8.37 4.32 0.00 3.04 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 0.00 119 L 8.10 3.95 0.00 1.93 1.80 0.94 0.53 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 0.00 120 L 8.01 3.97 0.00 1.88 1.70 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.34 4.08 0.00 2.05 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 122 D 8.23 4.33 0.00 2.84 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 0.00 123 I 7.97 3.56 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.79 0.00 0.00 124 L 8.28 3.94 0.00 1.76 1.84 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.39 3.90 0.00 2.07 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 2.31 2.33 0.00 126 S 7.96 4.09 0.00 3.98 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 0.00 127 E 8.19 4.02 0.00 2.06 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 2.64 2.51 0.00 128 E 8.49 4.04 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 129 E 8.29 4.06 0.00 2.21 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 0.00 2.36 2.52 0.00 130 H 8.24 4.41 0.00 3.49 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.24 3.76 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.78 0.94 0.00 0.00 132 D 8.35 4.30 0.00 2.95 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 0.00 133 Y 8.17 4.13 0.00 3.15 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 0.00 134 L 8.17 3.57 0.00 2.06 1.66 0.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.33 3.95 0.00 1.97 1.96 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 2.31 2.44 0.00 136 T 7.98 3.85 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 1.20 0.00 0.00 137 Q 7.83 3.72 0.00 1.66 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 1.43 1.95 0.00 138 L 7.73 3.88 0.00 1.80 1.62 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.94 4.06 0.00 1.73 1.81 1.06 1.02 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 0.00 141 I 7.37 3.55 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.19 0.82 0.00 0.00 142 Q 7.40 3.99 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 143 K 7.63 4.17 0.00 1.71 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 V 8.19 4.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.13 0.00 0.00 145 G 7.57 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.52 3.97 0.00 1.76 1.68 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.14 3.96 0.00 2.06 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 2.40 2.41 0.00 148 N 8.20 4.33 0.00 3.09 2.90 0.00 0.00 6.70 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.85 4.05 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.36 4.05 0.00 1.73 1.72 0.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.47 3.90 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 152 S 7.94 4.21 0.00 3.76 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 0.00 153 H 7.77 4.68 0.00 2.88 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.72 4.11 0.00 1.75 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.40 0.00 155 H 7.66 5.18 0.00 3.14 3.15 0.00 5.77 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 0.00 156 E 8.68 4.16 0.00 1.96 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 2.31 2.30 0.00