NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0773 8.3031 121.7576 56.2765 32.1281 175.0739 3 G 3.6369 8.2598 114.4016 43.0386 0.0000 169.6798 4 D 4.4513 9.1228 119.7342 53.6708 43.6248 175.2216 5 K 3.9226 8.7052 126.2093 59.7294 32.0580 179.5505 6 K 3.9708 8.3951 118.6793 59.0103 31.8478 179.7014 7 V 3.5513 7.8552 118.2590 66.0096 31.5635 177.8584 8 I 3.6773 7.6345 119.5557 64.5582 36.9642 178.2110 9 Q 3.9627 7.9778 120.0979 59.3410 28.7656 177.8726 10 H 4.0983 8.3605 117.4660 58.9863 28.7156 177.7441 11 L 4.0020 8.3230 121.0233 57.9678 41.4539 179.4132 12 N 4.3530 8.6563 116.8728 55.8875 38.3903 177.4582 13 K 3.9011 7.9996 121.1960 59.6491 32.2785 178.9244 14 I 3.7127 7.9719 120.2559 64.1984 36.9076 178.0864 15 L 4.0227 8.3772 121.6989 58.0761 41.8441 179.0139 16 G 3.7546 8.4783 106.0024 48.1350 0.0000 175.0721 17 N 4.3132 8.2307 119.1266 56.0825 38.4267 177.2384 18 E 3.9645 8.3640 119.9975 59.5570 29.3874 179.4653 19 L 4.0598 8.1426 119.0159 57.8720 41.6240 179.7441 20 I 3.7760 7.5277 119.3075 64.1338 37.0221 178.3427 21 A 3.4258 7.7977 121.7465 54.6454 18.1292 179.5806 22 I 3.6004 7.8498 118.7660 64.8023 37.1778 178.4399 23 N 4.3905 7.6765 115.6988 56.1417 38.2867 177.4016 24 Q 3.8314 7.9284 120.9111 59.5038 29.1735 177.8770 25 Y 4.7089 7.7825 119.1159 60.5158 37.8774 178.3706 26 F 3.8136 8.3838 121.5924 61.1206 39.4506 176.7305 27 L 3.9539 8.1935 119.9809 58.6560 41.7830 178.6620 28 H 3.8614 8.3144 116.0521 58.7527 28.5299 177.4579 29 S 4.3390 8.7618 115.3288 61.9361 62.0744 176.6986 30 R 3.8422 7.8507 120.3317 59.1245 29.7413 178.9745 31 M 3.4352 8.0144 118.9953 57.8036 31.8303 178.6441 32 W 4.5886 7.8879 119.0815 60.0243 29.3060 178.0851 33 N 4.3428 8.4696 116.5374 56.6231 37.8197 176.7361 34 D 4.3590 7.9635 117.9672 57.1950 41.3232 177.6780 35 W 4.8573 7.9239 116.0674 56.7687 29.6056 177.2695 36 G 4.0093 8.4263 108.2354 46.2534 0.0000 174.2604 37 L 4.7256 7.9067 122.3942 53.6290 38.4033 177.4712 38 K 4.1292 8.4417 121.1753 58.9387 32.6030 179.1399 39 R 3.9623 7.8812 119.1138 59.0931 29.9112 178.4808 40 L 3.8504 7.7423 118.6617 57.5282 41.5196 179.4281 41 G 3.7713 8.2633 105.5193 47.8285 0.0000 175.6239 42 A 4.0506 8.1139 123.1042 55.0900 18.4231 179.2593 43 H 4.0483 8.1389 116.5101 59.2269 29.6544 177.1917 44 E 3.9742 8.5866 121.5085 59.0957 29.5081 177.8085 45 Y 4.1256 8.2406 119.9283 61.3495 38.7719 178.0480 46 H 3.9753 8.1271 116.6731 58.9367 28.8957 177.5814 47 E 3.8490 8.0960 120.2872 59.4461 29.2361 179.4184 48 S 4.2789 8.2809 113.1311 61.4102 62.4670 176.2135 49 I 3.5780 7.5509 122.5103 64.3977 36.7510 177.9461 50 D 4.3142 8.1365 119.6684 57.6963 40.6329 179.0054 51 E 4.1427 8.0527 119.7382 58.9128 29.3128 179.3457 52 M 4.0351 7.9204 119.0726 58.3612 32.1035 178.9397 53 K 3.9993 8.2209 118.6850 59.4605 32.1990 179.0897 54 H 4.2292 8.3543 116.5808 58.8345 28.5833 177.4391 55 A 3.9455 8.2258 122.5386 55.2893 18.2689 178.7468 56 D 4.3326 8.1910 116.5865 57.9672 41.2108 179.2181 57 K 4.0777 8.0384 118.1434 59.1391 31.8779 179.5632 58 L 4.0121 7.8449 119.5479 57.7824 41.6023 179.3571 59 I 3.7119 8.0498 120.0784 64.5965 37.0619 178.4031 60 E 4.0315 8.3318 119.3195 59.2545 29.2093 179.4349 61 R 4.0134 8.1060 118.8466 59.4185 30.1094 178.5396 62 I 3.7073 8.0850 119.9249 64.4531 37.0779 178.3356 63 L 3.9773 8.0022 119.6165 57.9426 41.2833 179.4055 64 F 4.3246 8.2118 119.1404 61.0408 39.5578 176.1276 65 L 3.9702 8.0058 116.8043 53.8550 41.2260 176.8100 66 E 3.5205 8.1370 117.6927 57.4623 27.1528 174.7600 67 G 3.9163 8.0377 108.4197 44.2135 0.0000 173.5950 68 L 4.5774 8.0053 118.9011 52.0040 42.6597 175.1961 69 P 4.3980 0.0000 0.0000 62.3894 31.8157 175.8303 70 N 4.6936 9.2190 122.5360 52.4613 38.5766 173.8453 71 L 4.6215 8.3273 124.2225 54.5401 42.3223 177.3771 72 Q 4.0823 8.5099 122.2632 57.6544 29.4373 175.4208 73 D 4.5552 8.0745 118.0158 52.8811 40.7561 175.3633 74 L 4.4554 8.2747 127.2074 52.9009 43.0199 176.7170 75 G 3.8430 8.2979 116.2058 44.6189 0.0000 171.3536 76 K 4.1681 8.3289 120.6623 55.4905 32.6822 176.7697 77 L 4.1295 8.3937 126.7893 54.4205 42.2121 176.9734 78 L 4.3537 8.7277 124.8029 53.4922 40.6236 175.3215 79 I 4.2352 8.0087 124.2854 59.4959 37.8431 176.7279 80 G 3.9864 8.7193 115.1367 44.9773 0.0000 172.3571 81 E 4.7227 8.6989 114.8553 55.6329 30.9271 175.5275 82 N 5.0862 7.6934 117.0343 50.6824 42.0475 174.8879 83 T 4.3989 8.4890 110.2444 65.1980 68.8454 176.5345 84 Q 4.0317 8.2020 120.4944 58.8584 28.8588 178.2862 85 E 4.0355 8.6568 119.6791 59.4628 29.4705 179.2154 86 M 3.9046 8.2638 118.8761 58.4519 31.9858 178.8646 87 L 4.1690 8.1599 119.0566 57.8562 41.7148 179.3687 88 Q 4.0179 8.1516 119.5544 59.2810 28.9991 177.9587 89 C 4.1670 8.6085 118.1314 63.0061 28.2068 175.8086 90 D 4.6724 8.3775 120.3461 57.3644 40.4527 178.5815 91 L 4.0099 8.4243 121.1160 58.3596 42.2021 178.6158 92 N 4.3454 8.4601 116.6088 56.4191 38.4293 177.1507 93 L 4.0187 8.1218 121.5159 58.2005 42.1277 178.8070 94 E 4.0675 8.5155 118.6021 59.4726 29.5416 179.3161 95 L 4.0070 8.1437 119.0208 57.7088 41.8110 179.5749 96 K 3.9849 8.1370 119.1924 59.4006 32.2048 178.7592 97 A 4.2173 8.3358 121.3339 55.5485 18.2690 179.7993 98 T 3.8741 8.2944 114.5997 66.3748 68.4695 176.8719 99 K 3.8918 7.9607 121.1767 59.8015 32.2919 178.5633 100 D 4.4236 7.9892 118.6378 57.3866 40.6984 178.9371 101 L 4.0058 7.9532 119.4234 57.7625 41.6416 179.7137 102 R 3.9344 7.9712 117.9936 59.3397 29.9020 178.9035 103 E 3.9640 8.2052 118.1241 59.4748 29.4098 179.3829 104 A 3.4773 7.9833 120.7138 54.8266 18.3554 179.8829 105 I 3.6337 7.7359 118.4960 64.4407 37.3362 178.4153 106 V 3.5746 7.7609 119.1761 66.4825 31.2750 177.6366 107 H 3.9924 7.8732 117.2890 59.5133 29.7777 176.6441 108 C 3.8881 8.3432 119.0511 63.2299 28.0247 176.1073 109 E 3.9311 8.3015 120.4659 59.2020 28.9905 178.6243 110 Q 3.9310 7.7550 118.6157 58.7064 29.1406 177.5280 111 V 3.9290 7.2100 110.6673 60.6244 31.8030 175.5968 112 H 2.8654 7.2316 113.8955 56.9214 26.9480 176.2938 113 D 4.5131 7.4430 120.0163 53.5240 38.0907 175.4914 114 Y 4.2958 7.3671 121.2954 60.3610 38.5071 177.6123 115 V 3.6728 7.8337 119.1642 65.9638 31.7830 178.0830 116 S 4.1551 8.4644 115.0702 61.3684 62.6403 176.4116 117 R 3.8711 8.0831 121.4145 59.6651 29.8317 178.0092 118 D 4.3704 8.2955 118.5833 57.4764 40.9113 178.5146 119 L 3.9506 7.8099 120.4324 58.5355 41.9587 179.1700 120 L 4.0500 7.8434 118.5410 57.2815 41.5543 179.1724 121 K 3.8836 8.5279 120.2028 59.7826 32.0839 178.5441 122 D 4.3778 8.2210 118.9728 57.4603 40.7067 178.9098 123 I 3.5680 7.7295 120.3683 64.1505 37.0000 178.2659 124 L 3.9568 8.2200 121.7354 57.9072 41.8713 178.6426 125 E 3.9059 8.1918 119.4461 59.3892 29.6285 178.8219 126 S 4.2514 7.8924 112.7862 61.4210 62.3570 175.9760 127 E 4.0391 8.2961 121.4228 59.2633 29.1317 179.1331 128 E 4.0196 8.6404 119.2910 59.2679 29.4559 179.0749 129 E 4.0137 8.2144 118.6985 59.8137 29.5579 179.0962 130 H 4.3608 8.3151 116.0508 59.1352 28.7724 177.9229 131 I 3.7862 8.2489 121.9204 64.3499 36.9173 177.9569 132 D 4.3139 8.6335 119.3326 57.4159 41.0548 177.4881 133 Y 4.1060 8.2310 119.9910 60.8113 38.7892 178.0922 134 L 3.6201 8.0749 119.5606 57.9290 41.7318 179.5145 135 E 3.9125 8.2612 118.3546 59.7238 29.3863 179.6218 136 T 3.7978 7.9267 115.7628 66.6428 68.3917 176.8463 137 Q 3.7517 7.8278 120.0254 58.6675 28.3297 178.5533 138 L 3.8424 7.6956 120.2102 57.7572 41.6355 179.9104 139 G 3.5369 8.1920 105.7236 47.6035 0.0000 175.8519 140 L 4.0157 7.7710 121.2911 57.5584 41.4938 179.3018 141 I 3.5328 7.4504 119.9604 64.6152 36.7502 178.4829 142 Q 3.9627 7.4430 117.3463 58.8484 28.6426 178.4646 143 K 4.1888 7.8527 118.4636 58.1526 32.3203 178.2068 144 V 4.1783 8.1306 109.9754 60.2422 32.8623 175.2662 145 G 4.1251 7.9449 110.8414 45.7810 0.0000 174.3149 146 L 3.9610 8.6608 124.0044 58.3845 41.9548 179.5265 147 E 3.9855 8.1179 117.6792 59.4571 29.5420 178.8168 148 N 4.3330 8.1574 116.0824 56.4580 38.4198 176.5777 149 Y 3.9979 7.9492 119.9242 60.7054 39.2210 177.9510 150 L 4.0247 8.1883 119.9283 57.6463 41.6216 178.9142 151 Q 3.9127 8.3829 120.0035 59.5949 28.7490 178.7674 152 S 4.2801 7.8556 113.2105 60.1433 63.1923 174.5424 153 H 4.6751 7.6231 118.8261 55.7458 29.6075 176.1780 154 M 4.1368 7.8051 120.5632 57.6924 32.0525 176.0234 155 H 5.1354 7.5959 114.1311 54.0667 30.7017 175.0417 156 E 4.1496 8.6736 121.3922 56.7697 29.3720 176.7662 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 4.08 0.00 1.92 1.77 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.02 7.81 3 G 8.26 3.64 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 0.00 0.00 0.00 4 D 9.12 4.45 0.00 2.78 2.54 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 0.00 0.00 0.00 5 K 8.71 3.92 0.00 1.82 1.83 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 K 8.40 3.97 0.00 1.89 1.57 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 7 V 7.86 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 1.17 0.00 0.00 0.94 0.00 0.00 8 I 7.63 3.68 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 1.39 0.40 0.89 0.00 0.00 9 Q 7.98 3.96 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 10 H 8.36 4.10 0.00 3.35 3.31 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 8.32 4.00 0.00 1.84 1.73 0.95 0.58 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 12 N 8.66 4.35 0.00 2.68 2.85 0.00 0.00 6.67 7.39 0.00 0.00 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 8.00 3.90 0.00 1.93 1.99 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.97 3.71 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 1.42 0.69 0.92 0.00 0.00 15 L 8.38 4.02 0.00 1.80 1.93 0.92 0.99 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 16 G 8.48 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 17 N 8.23 4.31 0.00 2.95 2.90 0.00 0.00 7.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.36 3.96 0.00 2.12 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 2.59 2.54 0.00 19 L 8.14 4.06 0.00 1.78 1.68 0.90 0.95 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 20 I 7.53 3.78 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 1.42 0.83 0.90 0.00 0.00 21 A 7.80 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.85 3.60 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.92 0.89 0.00 0.00 23 N 7.68 4.39 0.00 2.80 2.83 0.00 0.00 6.73 7.85 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 24 Q 7.93 3.83 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 25 Y 7.78 4.71 0.00 3.06 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 26 F 8.38 3.81 0.00 3.34 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 27 L 8.19 3.95 0.00 1.88 1.75 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.31 3.86 0.00 3.44 2.94 0.00 5.71 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 29 S 8.76 4.34 0.00 3.98 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 30 R 7.85 3.84 0.00 1.88 1.89 0.00 2.97 0.00 0.00 2.63 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 31 M 8.01 3.44 0.00 0.84 1.57 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.15 0.00 32 W 7.89 4.59 0.00 3.74 3.40 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 33 N 8.47 4.34 0.00 2.89 2.87 0.00 0.00 6.72 8.78 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 34 D 7.96 4.36 0.00 2.53 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 35 W 7.92 4.86 0.00 3.80 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 36 G 8.43 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.91 4.73 0.00 2.15 1.66 1.29 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.44 4.13 0.00 2.06 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.88 3.96 0.00 2.02 1.93 0.00 3.15 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 40 L 7.74 3.85 0.00 1.34 0.28 0.43 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.26 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 8.11 4.05 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 8.14 4.05 0.00 3.31 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.59 3.97 0.00 2.55 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 45 Y 8.24 4.13 0.00 2.99 3.05 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 46 H 8.13 3.98 0.00 3.31 3.26 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 8.10 3.85 0.00 2.03 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 2.37 2.20 0.00 48 S 8.28 4.28 0.00 4.09 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 49 I 7.55 3.58 1.82 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.24 0.84 0.00 0.00 50 D 8.14 4.31 0.00 2.95 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 51 E 8.05 4.14 0.00 2.01 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 0.00 2.73 2.38 0.00 52 M 7.92 4.04 0.00 2.05 2.24 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 2.78 2.55 0.00 53 K 8.22 4.00 0.00 1.90 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.64 7.81 54 H 8.35 4.23 0.00 3.49 3.36 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 8.23 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.33 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.04 4.08 0.00 1.90 1.86 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.64 7.81 58 L 7.84 4.01 0.00 1.89 1.72 0.96 0.76 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 59 I 8.05 3.71 2.05 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 1.53 1.03 0.92 0.00 0.00 60 E 8.33 4.03 0.00 2.04 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 2.45 0.00 61 R 8.11 4.01 0.00 2.09 2.14 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 8.08 3.71 1.89 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 0.65 0.91 0.00 0.00 63 L 8.00 3.98 0.00 1.89 1.78 0.97 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 64 F 8.21 4.32 0.00 2.96 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.01 3.97 0.00 1.81 1.57 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.14 3.52 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 2.20 2.26 0.00 67 G 8.04 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 68 L 8.01 4.58 0.00 1.61 1.60 0.91 0.99 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 69 P 0.00 4.40 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.22 4.69 0.00 2.62 2.81 0.00 0.00 7.09 7.32 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 71 L 8.33 4.62 0.00 1.62 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.51 4.08 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.07 4.56 0.00 2.69 2.60 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 74 L 8.27 4.46 0.00 1.54 1.54 0.88 1.07 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 75 G 8.30 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 76 K 8.33 4.17 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.39 4.13 0.00 1.63 1.56 0.93 0.99 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 8.73 4.35 0.00 1.68 1.69 0.96 0.91 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 79 I 8.01 4.24 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.91 0.00 0.00 80 G 8.72 3.99 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 0.00 81 E 8.70 4.72 0.00 2.14 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 0.00 2.49 2.23 0.00 82 N 7.69 5.09 0.00 2.89 2.86 0.00 0.00 6.00 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 8.49 4.40 5.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 84 Q 8.20 4.03 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 85 E 8.66 4.04 0.00 2.20 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 2.46 0.00 86 M 8.26 3.90 0.00 1.44 2.25 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.11 0.00 87 L 8.16 4.17 0.00 1.74 1.70 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.15 4.02 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.61 4.17 0.00 3.29 3.23 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 0.00 90 D 8.38 4.67 0.00 3.01 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 8.42 4.01 0.00 1.85 1.90 0.96 0.61 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 92 N 8.46 4.35 0.00 2.98 2.90 0.00 0.00 6.73 7.50 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 93 L 8.12 4.02 0.00 1.98 1.95 0.93 0.88 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 8.52 4.07 0.00 2.29 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 0.00 2.75 2.65 0.00 95 L 8.14 4.01 0.00 1.87 1.75 0.95 0.45 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 96 K 8.14 3.98 0.00 1.93 1.96 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.34 4.22 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 98 T 8.29 3.87 4.57 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 1.23 0.00 0.00 99 K 7.96 3.89 0.00 2.02 1.82 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 7.99 4.42 0.00 2.93 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 7.95 4.01 0.00 1.96 1.72 0.92 1.00 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 7.97 3.93 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 103 E 8.21 3.96 0.00 2.20 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 2.35 2.46 0.00 104 A 7.98 3.48 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 0.00 105 I 7.74 3.63 2.01 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 0.88 0.92 0.00 0.00 106 V 7.76 3.57 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 0.98 0.00 0.00 0.97 0.00 0.00 107 H 7.87 3.99 0.00 3.23 3.33 0.00 5.86 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 0.00 108 C 8.34 3.89 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.30 3.93 0.00 2.14 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 2.36 2.43 0.00 110 Q 7.75 3.93 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 111 V 7.21 3.93 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 0.83 0.00 0.00 0.94 0.00 0.00 112 H 7.23 2.87 0.00 3.17 3.10 0.00 5.64 0.00 0.00 0.00 0.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.44 4.51 0.00 2.63 2.48 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 0.00 114 Y 7.37 4.30 0.00 3.08 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 7.83 3.67 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 1.00 0.00 0.00 116 S 8.46 4.16 0.00 4.16 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 8.08 3.87 0.00 1.94 2.24 0.00 3.30 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 118 D 8.30 4.37 0.00 2.99 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 0.00 119 L 7.81 3.95 0.00 1.86 1.90 0.93 0.71 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 0.00 120 L 7.84 4.05 0.00 1.90 1.69 0.91 0.83 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 8.53 3.88 0.00 2.04 2.01 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 122 D 8.22 4.38 0.00 2.95 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 0.00 123 I 7.73 3.57 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.82 0.00 0.00 124 L 8.22 3.96 0.00 1.80 1.88 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.19 3.91 0.00 2.17 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 0.00 2.31 2.32 0.00 126 S 7.89 4.25 0.00 3.94 3.99 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 0.00 127 E 8.30 4.04 0.00 2.17 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 2.57 2.53 0.00 128 E 8.64 4.02 0.00 2.12 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 2.57 0.00 129 E 8.21 4.01 0.00 2.20 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 2.49 0.00 130 H 8.32 4.36 0.00 3.57 3.42 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 8.25 3.79 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.94 0.00 0.00 132 D 8.63 4.31 0.00 2.87 2.92 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 0.00 133 Y 8.23 4.11 0.00 3.14 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 0.00 134 L 8.07 3.62 0.00 2.09 1.68 1.07 0.97 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 0.00 135 E 8.26 3.91 0.00 2.07 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 2.30 2.34 0.00 136 T 7.93 3.80 4.29 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 1.19 0.00 0.00 137 Q 7.83 3.75 0.00 1.62 1.71 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 1.37 1.74 0.00 138 L 7.70 3.84 0.00 1.71 1.61 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.19 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.77 4.02 0.00 1.75 1.79 1.03 0.59 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 0.00 141 I 7.45 3.53 1.76 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.36 0.81 0.00 0.00 142 Q 7.44 3.96 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 143 K 7.85 4.19 0.00 1.74 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 144 V 8.13 4.18 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 0.72 0.00 0.00 1.11 0.00 0.00 145 G 7.94 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 8.66 3.96 0.00 1.76 1.70 0.97 1.03 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 0.00 147 E 8.12 3.99 0.00 2.05 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 2.39 2.39 0.00 148 N 8.16 4.33 0.00 3.08 2.89 0.00 0.00 6.74 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 7.95 4.00 0.00 3.03 3.20 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 0.00 150 L 8.19 4.02 0.00 1.87 1.70 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.38 3.91 0.00 2.11 2.29 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 7.86 4.28 0.00 3.82 3.64 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 0.00 153 H 7.62 4.68 0.00 2.87 3.02 0.00 5.80 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 0.00 154 M 7.81 4.14 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.42 0.00 155 H 7.60 5.14 0.00 3.10 3.18 0.00 5.71 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 0.00 156 E 8.67 4.15 0.00 1.96 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 2.31 2.31 0.00