NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3999 8.3344 115.4142 58.3647 64.3566 172.1361 3 S 3.5677 7.6262 112.7557 55.3945 63.2240 173.1135 4 Q 3.8584 8.6348 128.7618 58.0238 29.9978 175.8006 5 I 4.3257 7.4450 108.2632 60.0554 38.8412 175.6919 6 R 4.4693 7.1840 121.5704 56.4225 29.3725 175.6548 7 Q 4.2990 8.7883 123.4151 56.4134 31.6471 173.2297 8 N 4.2985 9.0257 123.1503 54.6323 37.3969 172.7239 9 Y 4.8099 7.3480 118.4129 55.1932 39.2826 175.8818 10 S 4.3377 8.1755 123.5650 58.0752 65.5724 175.1346 11 T 3.7830 8.3232 114.6962 64.8638 68.4766 176.5904 12 D 4.2483 7.8466 121.5554 57.1568 40.8863 178.5508 13 V 3.4758 7.1666 117.4046 65.7784 31.6209 177.3218 14 E 3.7123 7.5952 118.8717 59.5483 29.3634 178.9200 15 A 3.9644 7.8291 119.9144 55.0005 18.3179 179.4909 16 A 3.9590 7.9476 119.5007 55.0016 18.3906 180.1556 17 V 3.5271 8.0610 117.0810 66.4017 31.5894 177.8444 18 N 4.2461 7.9602 115.9335 56.4364 38.3286 177.3763 19 S 4.0277 7.9831 114.2775 61.3791 62.5247 175.8972 20 L 3.9948 8.1890 123.4636 58.0357 41.6823 178.9253 21 V 3.7374 8.3041 118.6574 66.2181 31.3719 177.4801 22 N 4.2911 7.9084 116.6007 56.6793 38.7971 176.4903 23 L 3.9579 7.9761 121.6936 58.3778 42.1652 178.6570 24 Y 4.1088 8.6058 117.1560 60.9230 37.8379 177.9751 25 L 3.9900 8.4489 120.4480 58.0475 41.6797 179.4400 26 Q 4.0977 8.5527 119.3457 59.1144 28.9234 178.0953 27 A 3.9473 8.1359 121.8178 55.1850 18.3636 179.4575 28 S 4.3501 8.9199 112.0027 61.9420 62.5426 175.6837 29 Y 4.4568 8.4242 122.2056 61.1496 38.4833 178.1542 30 T 3.8586 8.2934 116.7372 67.1082 68.5142 176.1924 31 Y 4.2048 8.1216 118.5415 60.8180 37.9022 178.4157 32 L 4.2018 8.4896 121.7857 58.2700 42.2854 179.0320 33 S 4.3448 8.3254 113.0273 61.5049 62.3117 175.8892 34 L 3.5870 7.7374 121.8286 57.5936 40.9850 179.6732 35 G 3.8446 8.2272 104.4441 48.2046 0.0000 175.5466 36 F 4.3586 8.3849 119.9062 59.1926 38.9162 177.3925 37 Y 4.1919 8.2330 120.0553 60.8204 38.6896 177.6488 38 F 4.1136 8.2276 117.5727 59.1764 38.8222 176.3053 39 D 4.4949 7.6623 116.9957 54.5424 41.8739 176.5576 40 R 4.0786 7.3600 119.5564 56.3857 30.5264 177.4270 41 D 4.6061 8.6780 121.3104 55.5213 39.5360 176.7029 42 D 4.5655 7.9141 117.8222 53.8820 40.2593 176.4448 43 V 3.8313 7.4817 117.1382 64.3623 33.5166 175.1564 44 A 3.8250 8.3259 119.9418 53.3656 16.0712 178.2722 45 L 4.7653 8.3490 121.2715 50.7762 43.1475 177.3301 46 E 4.0330 8.7060 123.3654 59.1295 29.7852 178.0958 47 G 3.6003 8.0445 104.9553 47.9310 0.0000 175.6009 48 V 3.2665 7.5716 120.8186 65.2997 31.5045 177.4929 49 S 4.2142 8.3336 113.2145 62.0365 62.2304 175.5919 50 H 4.0946 8.6400 121.0170 59.1604 29.4448 176.7280 51 F 3.7626 8.1745 122.3364 61.5009 39.1563 177.2892 52 F 4.0726 7.9893 117.0919 60.4499 38.7964 177.9659 53 R 4.0944 8.0832 117.8416 59.1215 29.7742 179.0139 54 E 3.7607 7.8686 118.3954 59.3645 29.3747 179.2923 55 L 3.5907 7.0345 118.3972 57.4515 41.4492 179.3560 56 A 4.1464 8.2682 121.0409 55.3764 18.2513 179.3777 57 E 3.9031 7.9938 117.5047 59.2755 29.4667 178.7420 58 E 4.0530 8.2161 118.3336 59.4401 29.7693 179.2302 59 K 4.3534 8.4380 118.8338 59.3397 32.2570 179.3619 60 R 3.0819 7.8906 119.0944 59.3125 29.9129 178.5060 61 E 3.9621 8.4117 118.5806 59.0498 29.4036 179.3620 62 G 3.3384 7.8951 106.6183 47.8319 0.0000 175.4812 63 Y 4.2543 7.4229 120.4119 59.1011 38.0689 178.0888 64 E 4.0400 7.6217 120.5138 59.4696 29.6132 179.2213 65 R 3.9793 7.8348 118.3751 59.1770 29.9915 178.6172 66 L 4.2584 8.0254 118.7265 57.9944 41.8221 179.3863 67 L 4.0206 8.5318 119.3168 57.5673 41.6394 179.5531 68 K 3.9010 8.2839 119.6306 59.8149 32.2004 178.5718 69 M 3.7875 7.9843 118.4194 58.3056 32.0343 177.5781 70 Q 3.9296 8.2392 120.1039 59.6370 29.0370 178.5722 71 N 4.3317 8.0350 116.8709 56.3172 38.3265 177.3147 72 Q 4.0093 7.6109 118.2232 59.2423 29.1215 179.1103 73 R 3.7846 7.6389 118.9923 58.8260 29.7787 177.3956 74 G 3.7230 7.1113 103.1280 45.0120 0.0000 174.4140 75 G 4.5323 7.7825 109.0827 44.8488 0.0000 173.3766 76 R 4.5390 8.2388 119.8629 53.6757 31.9586 176.3866 77 A 4.2732 8.5020 126.2275 51.9761 19.0754 176.6174 78 L 4.6884 9.0456 122.1082 53.0325 45.0799 176.2464 79 F 4.7034 8.8785 122.2329 56.0387 40.6938 175.1205 80 Q 4.8053 8.2536 121.5868 53.5617 32.0976 175.2688 81 D 4.4170 8.5996 119.2608 55.0153 41.3258 176.7215 82 I 4.3270 8.0756 123.2252 59.4523 37.5223 176.0852 83 K 4.1734 8.5250 125.8336 55.7960 32.5432 177.5243 84 K 3.8406 8.3187 121.6086 55.6252 33.0852 174.9983 85 P 4.2881 0.0000 0.0000 62.5003 31.7635 177.6886 86 A 3.6187 8.6891 124.2460 54.5013 18.4296 177.0752 87 E 4.3044 6.6988 112.7695 54.5618 33.0490 175.0443 88 D 4.7159 7.8875 117.4012 54.3573 43.2272 176.8133 89 E 4.0565 7.1474 117.2818 54.5239 32.9896 174.8377 90 W 4.4274 6.7563 122.6052 55.7636 30.4363 177.5692 91 G 3.7537 7.1251 110.4096 47.2530 0.0000 177.3519 92 K 4.7055 9.1351 124.8411 54.4759 34.9620 176.7091 93 T 4.2396 8.7097 117.6709 67.0245 68.4109 174.6960 94 P 4.3156 0.0000 0.0000 65.6365 31.2771 178.4447 95 D 4.3909 8.2134 116.9071 57.3752 40.8440 178.3324 96 A 4.1409 8.1646 121.1736 55.5671 18.3700 179.2092 97 M 4.1879 8.5085 116.7422 58.9627 32.2257 178.6182 98 K 4.0408 8.3366 118.2991 59.3983 32.2287 179.1682 99 A 4.0499 8.4686 121.0835 55.1091 18.2327 179.5840 100 A 3.9313 8.5171 119.6600 55.4030 18.4707 179.2217 101 M 3.9914 8.5304 116.9848 58.9725 32.2937 178.2124 102 A 3.9961 8.2254 120.6815 55.2316 18.6081 179.2098 103 L 3.9303 8.0585 118.7533 58.3938 42.0774 179.1579 104 E 4.0276 8.4875 118.6603 59.4038 29.4574 179.3898 105 K 3.9977 8.3482 118.9194 59.2277 32.1915 179.1894 106 K 3.8809 8.5787 120.1429 59.5400 32.1022 178.8351 107 L 3.7891 7.9140 119.0468 57.7364 41.4860 178.7470 108 N 4.2469 8.5946 117.3478 56.8754 38.7373 176.4669 109 Q 3.9082 8.2217 120.3849 59.2724 29.2134 178.0534 110 A 4.0083 7.8397 121.4319 55.1738 18.2770 179.6514 111 L 3.9343 8.0810 117.3868 58.0232 41.7680 179.7151 112 L 4.0214 8.1368 119.0109 57.8113 41.4433 179.3515 113 D 4.3633 8.5095 119.2698 57.3920 40.7401 178.6304 114 L 3.9534 8.0495 120.7840 58.2234 42.0600 178.4236 115 H 4.0850 8.5571 118.1873 59.3081 29.8749 177.1118 116 A 4.0615 8.2054 122.5463 55.0669 18.1678 179.3304 117 L 4.0228 8.2161 119.2088 58.2820 42.1720 179.5164 118 G 3.6309 8.4317 106.1138 47.6682 0.0000 175.8502 119 S 4.0662 8.0965 117.1760 61.5512 62.7234 176.5444 120 A 4.0271 7.8436 121.9194 55.0470 18.1617 178.8970 121 R 4.2571 7.8092 113.8600 54.9473 31.5386 177.0001 122 T 3.4235 7.5653 108.4664 62.9510 67.9317 173.5142 123 D 4.8198 8.4481 122.0097 52.2139 41.7108 174.3642 124 P 4.2843 0.0000 0.0000 65.7758 31.4880 177.6827 125 H 4.1266 8.2841 117.7134 58.9417 29.7970 176.7921 126 L 4.0971 8.6376 122.2414 58.3670 41.9443 178.6575 127 C 4.1376 7.9634 116.3214 62.8173 28.0277 175.5323 128 D 4.3427 8.5525 119.9816 57.3309 40.8242 177.8968 129 F 4.2233 8.6411 121.4789 61.6250 39.3341 177.1791 130 L 4.2134 8.3142 118.4097 57.6163 41.7194 179.2835 131 E 3.9668 8.4057 118.6528 59.7802 29.2540 179.5716 132 T 3.6620 7.7601 114.0625 66.6041 68.6682 175.7975 133 H 4.4350 7.4860 114.5488 55.4129 29.8169 175.0278 134 F 4.7880 7.5102 116.8274 59.0324 41.3848 176.8652 135 L 4.0013 8.1870 120.4095 58.4793 41.4332 179.3590 136 D 4.3414 7.6127 115.9364 57.3846 41.1667 178.1476 137 E 3.9734 8.1449 118.6816 59.3283 29.4871 179.0384 138 E 3.9595 8.4723 118.6233 59.4413 29.5597 179.2666 139 V 3.5906 7.6888 118.1151 66.2842 31.5403 178.2237 140 K 3.9754 8.1825 117.9398 59.2778 31.7651 179.1913 141 L 3.9779 7.8959 120.6588 58.1217 42.0737 179.0195 142 I 3.7198 8.3651 120.0823 64.2735 37.0961 178.0704 143 K 3.8311 8.3317 120.7784 59.5834 31.8669 178.4872 144 K 3.9013 8.1796 119.6109 59.9190 32.1221 178.6781 145 M 4.2944 8.4494 119.2970 58.2466 31.8877 178.8828 146 G 3.6910 8.6486 106.3456 48.0418 0.0000 175.4579 147 D 4.3690 8.1509 121.3207 57.3491 40.7618 178.6311 148 H 4.1545 7.9470 116.4892 58.6941 28.5852 177.7691 149 L 4.0093 8.0440 120.7572 58.2708 41.5013 179.7128 150 T 3.8514 7.9236 115.5135 66.8196 68.1797 176.4967 151 N 4.4138 8.2189 118.3528 56.1406 38.3278 177.6063 152 L 4.0185 8.2020 120.2543 57.8446 41.7776 178.6138 153 H 4.2356 8.3079 117.6056 59.3829 30.2680 177.0569 154 R 4.1137 8.1241 120.4024 59.2034 29.6163 177.8816 155 L 4.3435 7.4360 115.2087 53.6315 41.5512 177.8599 156 G 3.7024 8.3464 111.3179 46.5420 0.0000 174.4095 157 G 3.7301 9.2932 111.4991 45.6977 0.0000 173.8292 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 S 8.33 4.40 0.00 4.01 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 3 S 7.63 3.57 0.00 4.09 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 4 Q 8.63 3.86 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 5 I 7.45 4.33 1.83 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 1.27 0.78 0.89 0.00 0.00 6 R 7.18 4.47 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 7 Q 8.79 4.30 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.12 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 8 N 9.03 4.30 0.00 2.89 2.90 0.00 0.00 7.02 7.54 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 9 Y 7.35 4.81 0.00 3.00 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 10 S 8.18 4.34 0.00 4.00 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 11 T 8.32 3.78 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 12 D 7.85 4.25 0.00 2.68 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 13 V 7.17 3.48 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 1.07 0.00 0.00 0.89 0.00 0.00 14 E 7.60 3.71 0.00 1.67 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 2.27 2.55 0.00 15 A 7.83 3.96 1.34 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 16 A 7.95 3.96 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 17 V 8.06 3.53 2.26 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 1.05 0.00 0.00 1.05 0.00 0.00 18 N 7.96 4.25 0.00 2.91 2.76 0.00 0.00 6.74 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.98 4.03 0.00 3.98 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 20 L 8.19 3.99 0.00 1.94 1.89 0.90 0.75 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 21 V 8.30 3.74 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 1.02 0.00 0.00 1.03 0.00 0.00 22 N 7.91 4.29 0.00 2.74 2.97 0.00 0.00 6.93 7.07 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 23 L 7.98 3.96 0.00 1.81 1.84 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.61 4.11 0.00 3.53 3.30 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 25 L 8.45 3.99 0.00 1.81 1.67 0.86 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.55 4.10 0.00 2.17 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 27 A 8.14 3.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.92 4.35 0.00 4.24 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 0.00 29 Y 8.42 4.46 0.00 3.21 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 30 T 8.29 3.86 4.08 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 1.00 0.00 0.00 31 Y 8.12 4.20 0.00 3.29 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 32 L 8.49 4.20 0.00 2.11 2.28 1.34 1.10 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 33 S 8.33 4.34 0.00 4.12 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 0.00 34 L 7.74 3.59 0.00 1.42 0.67 -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.23 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 0.00 0.00 0.00 36 F 8.38 4.36 0.00 3.39 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 37 Y 8.23 4.19 0.00 3.35 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 38 F 8.23 4.11 0.00 3.17 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 39 D 7.66 4.49 0.00 2.62 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.36 4.08 0.00 1.83 1.89 0.00 3.27 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 41 D 8.68 4.61 0.00 2.78 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 42 D 7.91 4.57 0.00 2.78 2.80 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 0.00 0.00 0.00 0.00 43 V 7.48 3.83 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 0.59 0.00 0.00 0.16 0.00 0.00 44 A 8.33 3.83 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 45 L 8.35 4.77 0.00 1.96 1.64 1.16 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.71 4.03 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 2.37 2.39 0.00 47 G 8.04 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 48 V 7.57 3.27 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.74 0.00 0.00 49 S 8.33 4.21 0.00 4.10 4.08 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 50 H 8.64 4.09 0.00 3.25 3.42 0.00 5.67 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 51 F 8.17 3.76 0.00 3.01 2.80 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 0.00 0.00 0.00 0.00 52 F 7.99 4.07 0.00 3.41 3.30 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 53 R 8.08 4.09 0.00 1.90 1.94 0.00 2.81 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 54 E 7.87 3.76 0.00 1.76 1.70 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 2.03 2.23 0.00 55 L 7.03 3.59 0.00 0.96 0.13 0.24 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.27 4.15 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 57 E 7.99 3.90 0.00 2.23 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 2.26 2.34 0.00 58 E 8.22 4.05 0.00 1.97 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 2.23 2.37 0.00 59 K 8.44 4.35 0.00 2.16 2.28 0.00 2.15 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 3.50 0.00 0.00 0.00 0.00 1.86 2.03 7.81 60 R 7.89 3.08 0.00 2.01 1.99 0.00 3.12 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.65 0.00 61 E 8.41 3.96 0.00 2.14 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 2.47 0.00 62 G 7.90 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 63 Y 7.42 4.25 0.00 3.28 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 64 E 7.62 4.04 0.00 2.11 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 2.29 2.11 0.00 65 R 7.83 3.98 0.00 1.98 2.19 0.00 2.68 0.00 0.00 2.72 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.67 0.00 66 L 8.03 4.26 0.00 2.01 1.81 0.86 0.69 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 67 L 8.53 4.02 0.00 2.02 1.84 1.29 0.65 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 68 K 8.28 3.90 0.00 2.08 1.98 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 69 M 7.98 3.79 0.00 1.72 1.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 2.21 0.00 70 Q 8.24 3.93 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 71 N 8.04 4.33 0.00 3.01 2.83 0.00 0.00 7.12 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 72 Q 7.61 4.01 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 73 R 7.64 3.78 0.00 0.93 0.66 0.00 2.92 0.00 0.00 2.94 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.00 74 G 7.11 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.78 4.53 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 76 R 8.24 4.54 0.00 1.78 1.87 0.00 3.36 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 77 A 8.50 4.27 1.14 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 0.00 0.00 78 L 9.05 4.69 0.00 1.45 1.51 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.88 4.70 0.00 3.02 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 80 Q 8.25 4.81 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 81 D 8.60 4.42 0.00 2.69 2.65 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 82 I 8.08 4.33 1.95 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 1.45 0.57 1.13 0.00 0.00 83 K 8.53 4.17 0.00 1.94 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.45 7.81 84 K 8.32 3.84 0.00 1.65 1.75 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.37 7.81 85 P 0.00 4.29 0.00 2.35 2.29 0.00 3.23 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 86 A 8.69 3.62 1.21 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 0.00 0.00 87 E 6.70 4.30 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 88 D 7.89 4.72 0.00 2.45 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.15 4.06 0.00 1.65 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 90 W 6.76 4.43 0.00 2.81 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 91 G 7.13 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 92 K 9.14 4.71 0.00 2.08 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.53 7.81 93 T 8.71 4.24 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 1.19 0.00 0.00 94 P 0.00 4.32 0.00 2.22 2.15 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 95 D 8.21 4.39 0.00 3.15 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 96 A 8.16 4.14 1.70 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 97 M 8.51 4.19 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 98 K 8.34 4.04 0.00 2.13 1.91 0.00 1.78 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 1.51 1.62 7.81 99 A 8.47 4.05 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.52 3.93 1.79 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 0.00 101 M 8.53 3.99 0.00 2.38 2.22 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 2.65 2.67 0.00 102 A 8.23 4.00 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 0.00 103 L 8.06 3.93 0.00 1.70 1.84 0.86 0.41 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 0.00 104 E 8.49 4.03 0.00 2.31 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 2.75 2.64 0.00 105 K 8.35 4.00 0.00 1.97 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.72 7.81 106 K 8.58 3.88 0.00 1.84 2.00 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.47 7.81 107 L 7.91 3.79 0.00 1.81 1.41 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.59 4.25 0.00 2.84 3.00 0.00 0.00 6.91 7.35 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 0.00 109 Q 8.22 3.91 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 110 A 7.84 4.01 1.35 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 0.00 0.00 0.00 111 L 8.08 3.93 0.00 1.97 1.76 1.06 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.14 4.02 0.00 1.86 1.73 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.51 4.36 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.05 3.95 0.00 1.87 1.87 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.56 4.09 0.00 3.37 3.48 0.00 5.64 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 0.00 116 A 8.21 4.06 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 0.00 117 L 8.22 4.02 0.00 1.87 1.91 0.91 1.04 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 0.00 118 G 8.43 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 0.00 119 S 8.10 4.07 0.00 4.08 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 0.00 120 A 7.84 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 0.00 121 R 7.81 4.26 0.00 1.89 1.96 0.00 3.46 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 122 T 7.57 3.42 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 1.22 0.00 0.00 123 D 8.45 4.82 0.00 2.67 2.63 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 0.00 124 P 0.00 4.28 0.00 2.34 2.32 0.00 3.81 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 2.12 2.05 0.00 125 H 8.28 4.13 0.00 3.22 3.52 0.00 5.67 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 0.00 126 L 8.64 4.10 0.00 2.04 1.85 1.13 1.39 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 0.00 127 C 7.96 4.14 0.00 3.24 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 0.00 128 D 8.55 4.34 0.00 2.86 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 0.00 129 F 8.64 4.22 0.00 3.00 3.33 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 0.00 130 L 8.31 4.21 0.00 2.03 1.84 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.41 3.97 0.00 2.23 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 2.37 2.65 0.00 132 T 7.76 3.66 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 0.94 0.00 0.00 133 H 7.49 4.43 0.00 1.99 2.51 0.00 5.59 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.51 4.79 0.00 3.17 3.04 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 0.00 135 L 8.19 4.00 0.00 1.70 1.76 0.92 0.85 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 0.00 136 D 7.61 4.34 0.00 2.77 2.63 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 0.00 137 E 8.14 3.97 0.00 2.20 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 2.33 2.35 0.00 138 E 8.47 3.96 0.00 2.24 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 2.66 2.57 0.00 139 V 7.69 3.59 2.09 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 1.13 0.00 0.00 0.99 0.00 0.00 140 K 8.18 3.98 0.00 1.91 1.84 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.69 7.81 141 L 7.90 3.98 0.00 1.98 1.93 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.37 3.72 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.95 0.00 0.00 143 K 8.33 3.83 0.00 1.91 2.09 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.62 7.81 144 K 8.18 3.90 0.00 2.05 2.09 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.30 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.53 7.81 145 M 8.45 4.29 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.72 0.00 146 G 8.65 3.69 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 0.00 0.00 0.00 147 D 8.15 4.37 0.00 2.75 2.64 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 0.00 148 H 7.95 4.15 0.00 3.22 3.17 0.00 5.63 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 0.00 149 L 8.04 4.01 0.00 1.93 1.75 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 150 T 7.92 3.85 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 1.19 0.00 0.00 151 N 8.22 4.41 0.00 2.95 2.85 0.00 0.00 7.04 6.02 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 0.00 152 L 8.20 4.02 0.00 1.75 1.75 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.31 4.24 0.00 3.28 3.51 0.00 5.76 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 0.00 154 R 8.12 4.11 0.00 2.01 2.17 0.00 3.15 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 155 L 7.44 4.34 0.00 1.76 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 156 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 0.00 157 G 9.29 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 0.00 0.00 0.00