NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5074 8.3049 120.3272 55.1374 32.4435 173.0752 2 Q 4.3357 7.8418 118.8391 53.9295 33.0840 174.5562 3 N 4.6587 9.3058 123.2858 52.1430 38.0520 172.9962 4 H 5.0194 7.6709 117.4158 53.4199 33.5545 172.8640 5 D 4.5113 8.4511 120.1882 54.2891 41.2750 177.4472 6 L 4.2319 8.1617 120.8213 54.5379 40.1367 177.4552 7 E 4.3186 8.4484 119.5866 57.0636 29.0374 178.7584 8 S 4.2310 7.7138 116.5144 60.5946 63.0937 174.6231 9 I 4.1248 7.4611 121.7318 59.6525 37.7617 175.8985 10 K 4.1247 8.4310 124.2877 57.3250 32.8650 175.9518 11 Q 4.5863 8.0704 117.4207 54.2783 33.9204 174.3561 12 A 4.5604 8.8513 124.1760 50.9523 19.4891 176.6163 13 A 4.3246 8.5590 124.7817 52.0403 19.2945 176.3536 14 L 4.9555 8.7125 123.1465 55.2398 43.2488 176.7109 15 I 5.1308 8.9950 115.9475 59.4454 42.0430 173.8447 16 E 5.3144 9.0314 120.6612 55.0556 34.0619 174.3653 17 Y 5.6879 9.4248 121.4294 55.5116 42.4613 173.8656 18 E 4.9093 9.7391 121.8557 54.7773 33.4847 174.3435 19 V 4.1329 8.5457 127.8125 60.3260 32.5124 174.8742 20 R 4.8221 8.3575 126.3434 54.1169 33.3119 174.4246 21 E 4.5115 7.9372 123.9168 55.3938 30.6866 176.4733 22 Q 3.9723 8.5587 124.9235 57.3728 29.3916 175.5917 23 G 4.3331 9.0948 116.3169 45.8706 0.0000 174.2426 24 S 4.2448 7.6554 115.0771 58.3024 63.2642 174.9680 25 S 4.3181 8.5066 119.3539 60.0727 61.9411 175.0096 26 I 3.9580 7.5618 114.4587 60.5519 38.0307 175.1163 27 V 4.5737 7.8919 120.1759 60.0605 34.1277 175.5060 28 L 4.2244 8.4029 122.9850 56.7596 42.3186 176.5490 29 D 4.7215 7.4677 115.6946 53.3461 44.0827 173.7017 30 S 4.8192 8.1991 116.6008 56.0593 65.9210 174.1944 31 N 4.6084 8.0459 119.2775 53.7570 37.7057 177.4750 32 I 3.6816 7.6111 121.7121 64.7154 37.3446 177.6958 33 S 4.2556 7.9434 111.8427 61.6654 62.3203 175.0869 34 K 4.1502 7.9956 121.0270 55.4588 32.2652 176.1144 35 E 4.7731 7.5728 118.8166 54.9950 34.2498 174.5226 36 P 4.5810 0.0000 0.0000 62.7120 33.0622 175.1894 37 L 4.8295 8.8178 121.6991 53.1218 44.2162 175.0491 38 E 5.0157 8.9311 125.2975 56.1187 30.9533 175.7197 39 F 5.1380 8.8805 116.2772 55.4352 42.3775 173.2540 40 I 4.4536 8.3015 119.7212 59.7486 38.6341 174.9088 41 I 3.5947 8.2748 126.9381 65.2308 36.7760 174.8231 42 G 4.0523 9.2336 117.2500 46.4640 0.0000 174.1293 43 T 4.3363 8.0093 118.4112 62.6685 67.0514 175.4913 44 N 4.3940 7.6693 123.5326 52.2135 37.1693 175.5926 45 Q 3.9996 7.5014 117.0081 57.4218 29.6261 177.4334 46 I 3.7403 7.0432 112.4078 59.7999 38.5850 175.9939 47 I 3.5653 7.6692 114.2228 60.9710 38.5279 176.8172 48 A 3.9790 8.3996 123.6154 55.2548 16.7433 180.4476 49 G 3.4635 7.7973 103.9230 47.7221 0.0000 175.4127 50 L 4.0455 7.4502 121.8534 57.1053 40.8852 178.1817 51 E 3.7767 7.9883 119.6398 59.2390 29.3477 178.7693 52 K 4.1704 7.5270 114.9480 58.0647 32.3545 178.7579 53 A 4.3752 7.2155 120.1445 54.7444 18.7446 179.8050 54 V 3.9062 7.9326 118.2020 64.9591 31.0340 178.4073 55 L 4.0234 7.4304 116.7566 57.9411 40.3801 177.9675 56 K 4.2744 8.1042 117.8247 57.1293 33.0494 176.7854 57 A 4.1703 7.5074 122.5785 51.8256 18.5854 177.4232 58 Q 4.3631 8.4118 121.9873 54.4676 30.0674 175.2462 59 I 3.6835 8.1018 119.7230 62.8774 38.1383 176.0245 60 G 3.6798 8.8721 115.1743 45.6008 0.0000 172.5662 61 E 4.4629 7.3458 118.7426 53.2804 30.9937 175.7164 62 W 4.4669 8.6189 126.5521 57.2286 29.9111 175.3798 63 E 4.7211 9.2071 123.6351 54.5037 33.2122 173.6248 64 E 4.9815 8.9754 125.8966 54.7410 32.1848 175.3505 65 V 4.4428 8.8539 121.9349 59.3757 33.8762 175.5609 66 V 4.1665 8.5324 126.7029 62.9112 32.2586 175.2360 67 I 4.7619 8.9634 128.2954 59.2031 40.8544 175.5140 68 A 4.5490 8.5921 128.6728 51.1196 19.3563 176.7804 69 P 4.3999 0.0000 0.0000 65.9256 31.2486 178.4578 70 E 4.1273 8.2391 115.1399 57.8547 29.7569 177.4844 71 E 4.4746 7.8628 117.7366 56.4112 30.2649 175.0721 72 A 4.5438 7.9884 118.7591 53.0717 20.6004 176.8730 73 Y 4.4282 7.5862 109.8670 56.1924 40.5196 177.1579 74 G 3.8977 8.6083 106.8802 46.3775 0.0000 175.1893 75 V 3.7044 7.5100 118.8470 65.1636 31.7803 175.6125 76 Y 4.7527 7.6861 121.3236 55.2272 39.2522 173.9687 77 E 4.5340 8.7500 125.4267 56.3510 30.3906 176.9216 78 S 4.8221 8.3575 112.7276 58.3083 63.5444 173.5449 79 S 4.8418 7.3468 115.9752 56.8174 64.1449 172.3311 80 Y 4.9436 8.7487 124.6075 56.1409 42.0742 175.2411 81 L 4.8225 8.7355 122.9053 54.6656 43.3093 176.1004 82 Q 4.5674 8.8809 122.4613 54.2341 32.4490 173.6316 83 E 4.6033 9.0676 128.0928 56.2111 30.4385 175.7386 84 V 4.7453 8.9962 127.6289 60.2229 34.9691 173.2211 85 P 4.7056 0.0000 0.0000 62.5051 32.1484 177.5634 86 R 4.3436 8.1911 119.2547 58.7131 29.6539 178.6211 87 D 4.3619 8.1952 117.3258 57.4704 41.1988 177.6087 88 Q 4.0307 7.8928 116.6884 57.2925 28.8087 176.6499 89 F 5.0645 8.0737 117.9204 56.8170 40.7014 176.4231 90 E 4.1124 8.6359 120.7719 58.5459 29.1868 177.7254 91 G 4.0984 8.1371 105.9103 44.7582 0.0000 172.5025 92 I 4.5414 7.9623 113.4168 58.4649 39.5794 175.2426 93 E 4.1670 8.7685 123.4911 56.1125 30.1442 175.8199 94 L 4.5725 7.7187 118.7448 53.2885 45.6670 175.1033 95 E 3.1275 7.3401 118.7851 54.2139 32.3818 174.6755 96 K 4.0227 8.4037 122.4982 57.6518 32.4770 177.6091 97 G 3.8235 8.9536 112.3319 45.9573 0.0000 172.7664 98 M 4.5228 7.4500 116.6367 53.1775 33.9020 175.4940 99 S 4.5002 8.4964 115.9925 58.5922 63.5448 173.6749 100 V 4.2665 8.3204 125.0917 59.8725 34.1933 174.7167 101 F 5.4769 8.7282 118.9387 55.9363 43.0817 175.5714 102 G 4.0680 8.9872 108.2901 44.8864 0.0000 171.9131 103 Q 4.5606 8.7708 129.0293 55.7567 29.2094 175.8011 104 T 4.2635 8.7326 121.9537 61.2549 68.5550 175.3607 105 E 3.8782 8.5625 124.4409 59.0077 29.6557 178.2892 106 D 4.6006 7.6793 115.6147 53.8963 40.9073 175.5722 107 N 4.1789 7.8085 111.9470 53.8327 36.7263 172.8098 108 Q 4.6834 7.5486 114.6292 54.9816 34.7420 175.6311 109 T 5.1370 8.7097 116.4214 62.1048 71.6849 174.6460 110 I 4.3826 8.5928 120.9376 60.5728 39.5487 174.7584 111 Q 5.0682 8.5640 119.6617 54.6845 31.3075 174.2102 112 A 4.5086 8.5421 122.5551 51.2184 23.7901 174.4075 113 I 5.0147 7.3741 118.0704 58.4244 40.5891 175.8132 114 I 3.9473 8.2044 128.0941 61.5112 37.5137 176.7030 115 K 4.2168 8.8885 126.5634 57.9924 33.5137 176.5575 116 D 5.0192 7.7994 117.5168 52.8074 44.9120 174.1115 117 F 5.2820 8.5376 118.1794 55.3847 40.8793 173.4845 118 S 4.4848 8.7675 115.2434 56.1123 65.6871 173.7255 119 A 4.1775 8.4697 125.3017 54.7109 18.5038 179.1360 120 T 4.1352 7.7922 106.5592 64.0255 69.8122 174.0975 121 H 5.4210 7.8121 118.1406 53.0565 33.9391 171.8824 122 V 4.8057 8.9387 118.3833 60.3227 35.1454 174.7537 123 M 5.1038 9.2570 122.4764 53.9520 34.5647 174.4983 124 V 4.4633 8.3782 124.5200 60.5300 33.0907 174.3506 125 D 4.9990 8.6476 128.1149 54.7380 42.2504 174.5848 126 Y 5.2842 9.2679 122.8425 56.0913 42.9889 174.4176 127 N 5.4581 8.9230 118.5567 52.6057 39.3272 173.7037 128 H 4.8062 8.5928 117.1406 54.0584 32.7419 172.0919 129 P 4.4569 0.0000 0.0000 64.4227 31.4720 177.3802 130 L 3.8539 7.6076 118.2926 56.8850 41.7769 176.8713 131 A 3.4726 7.2886 121.1261 51.0301 19.1069 176.2798 132 G 4.1171 7.9397 106.3424 46.4558 0.0000 172.6494 133 K 5.0290 8.2422 118.2704 54.7273 36.1635 176.1438 134 T 4.3686 8.5320 110.7820 61.8882 69.4983 173.7479 135 L 4.8844 8.9151 123.0729 53.0354 46.1857 175.8803 136 A 4.6769 8.8645 124.9311 50.8286 19.5682 176.2801 137 F 4.6016 9.0050 121.0788 57.9862 39.0767 174.7275 138 R 5.1878 9.0220 125.2737 55.8670 31.7357 174.9397 139 F 5.7594 9.5685 119.5988 56.1522 42.4383 172.5918 140 K 4.2683 9.0182 119.1868 54.6266 35.9381 175.4518 141 V 3.8735 8.1913 126.6087 62.2152 31.2852 176.1209 142 L 3.7623 8.5518 129.2941 57.5907 42.3153 177.1281 143 G 3.9744 7.0547 103.6143 42.8206 0.0000 171.9647 144 F 5.5098 6.8498 115.7798 55.3857 39.8892 175.4248 145 R 4.8330 8.6378 116.3636 54.5210 33.1607 174.0245 146 E 4.4921 8.8396 120.7603 56.5585 30.1677 176.6356 147 V 4.6022 8.2792 115.6867 59.7985 35.8126 174.8177 148 S 4.7319 8.1884 115.8837 57.1744 67.1372 174.4021 149 E 4.4197 8.4712 122.1373 55.7681 27.8880 175.1727 150 E 4.4727 7.0374 118.7062 57.4828 33.1559 174.5452 151 E 4.1581 8.0402 123.4657 56.7020 29.4926 177.0588 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.51 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 Q 7.84 4.34 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.41 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 3 N 9.31 4.66 0.00 2.64 2.72 0.00 0.00 6.83 8.14 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 4 H 7.67 5.02 0.00 3.08 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.45 4.51 0.00 2.68 2.62 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 0.00 0.00 0.00 6 L 8.16 4.23 0.00 1.70 1.63 0.92 0.86 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 7 E 8.45 4.32 0.00 1.91 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 2.27 2.47 0.00 8 S 7.71 4.23 0.00 3.84 3.90 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 9 I 7.46 4.12 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.35 0.90 0.00 0.00 10 K 8.43 4.12 0.00 1.82 1.79 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.45 7.81 11 Q 8.07 4.59 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 12 A 8.85 4.56 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 13 A 8.56 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.71 4.96 0.00 1.80 1.61 0.96 0.37 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 15 I 9.00 5.13 2.16 0.00 0.00 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 1.69 1.14 1.22 0.00 0.00 16 E 9.03 5.31 0.00 1.90 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 2.22 2.26 0.00 17 Y 9.42 5.69 0.00 3.34 3.22 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 0.00 18 E 9.74 4.91 0.00 2.07 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 2.18 2.23 0.00 19 V 8.55 4.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.40 0.00 0.00 20 R 8.36 4.82 0.00 1.86 1.75 0.00 3.05 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 21 E 7.94 4.51 0.00 2.12 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 2.31 2.29 0.00 22 Q 8.56 3.97 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 5.60 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 23 G 9.09 4.33 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 0.00 24 S 7.66 4.24 0.00 3.86 3.80 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 25 S 8.51 4.32 0.00 3.84 3.89 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 26 I 7.56 3.96 1.85 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 1.46 0.68 0.90 0.00 0.00 27 V 7.89 4.57 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 0.72 0.00 0.00 0.92 0.00 0.00 28 L 8.40 4.22 0.00 1.71 1.68 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.47 4.72 0.00 2.70 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 30 S 8.20 4.82 0.00 3.92 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 31 N 8.05 4.61 0.00 2.76 2.59 0.00 0.00 7.17 7.77 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 32 I 7.61 3.68 1.93 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 1.14 0.00 0.00 33 S 7.94 4.26 0.00 3.86 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 34 K 8.00 4.15 0.00 1.87 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 35 E 7.57 4.77 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 36 P 0.00 4.58 0.00 2.10 2.08 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 37 L 8.82 4.83 0.00 1.82 1.72 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.93 5.02 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 2.33 2.29 0.00 39 F 8.88 5.14 0.00 3.08 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 40 I 8.30 4.45 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.90 0.00 0.00 41 I 8.27 3.59 1.75 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 1.07 0.46 0.82 0.00 0.00 42 G 9.23 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 0.00 0.00 0.00 43 T 8.01 4.34 4.46 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 1.28 0.00 0.00 44 N 7.67 4.39 0.00 2.73 2.64 0.00 0.00 7.27 7.75 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 45 Q 7.50 4.00 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.23 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 46 I 7.04 3.74 1.52 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 1.09 0.33 0.60 0.00 0.00 47 I 7.67 3.57 1.54 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.40 0.62 0.00 0.00 48 A 8.40 3.98 1.23 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 0.00 0.00 49 G 7.80 3.46 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 0.00 0.00 0.00 50 L 7.45 4.05 0.00 1.32 1.41 0.15 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.99 3.78 0.00 1.93 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 0.00 2.25 2.29 0.00 52 K 7.53 4.17 0.00 1.75 1.84 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.48 7.81 53 A 7.22 4.38 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 54 V 7.93 3.91 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 0.97 0.00 0.00 1.19 0.00 0.00 55 L 7.43 4.02 0.00 1.82 1.89 0.95 0.76 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 56 K 8.10 4.27 0.00 1.98 1.96 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.42 7.81 57 A 7.51 4.17 1.27 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 0.00 0.00 0.00 58 Q 8.41 4.36 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.23 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 59 I 8.10 3.68 1.65 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.64 0.79 0.00 0.00 60 G 8.87 3.68 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 0.00 0.00 0.00 61 E 7.35 4.46 0.00 1.89 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 2.18 2.24 0.00 62 W 8.62 4.47 0.00 3.15 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 63 E 9.21 4.72 0.00 1.75 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 2.35 2.29 0.00 64 E 8.98 4.98 0.00 2.04 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 2.26 2.39 0.00 65 V 8.85 4.44 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 0.91 0.00 0.00 1.14 0.00 0.00 66 V 8.53 4.17 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 0.96 0.00 0.00 0.99 0.00 0.00 67 I 8.96 4.76 1.97 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.16 0.86 0.00 0.00 68 A 8.59 4.55 1.29 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 0.00 0.00 69 P 0.00 4.40 0.00 2.36 2.51 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 70 E 8.24 4.13 0.00 2.15 2.15 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 2.30 2.40 0.00 71 E 7.86 4.47 0.00 2.11 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 2.23 2.29 0.00 72 A 7.99 4.54 1.46 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 0.00 0.00 73 Y 7.59 4.43 0.00 3.05 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 74 G 8.61 3.90 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 0.00 0.00 0.00 75 V 7.51 3.70 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 0.87 0.00 0.00 1.04 0.00 0.00 76 Y 7.69 4.75 0.00 2.96 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 77 E 8.75 4.53 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 78 S 8.36 4.82 0.00 4.05 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 79 S 7.35 4.84 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.75 4.94 0.00 2.95 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 81 L 8.74 4.82 0.00 1.57 1.65 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.88 4.57 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 83 E 9.07 4.60 0.00 2.05 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 2.31 2.32 0.00 84 V 9.00 4.75 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 1.33 0.00 0.00 1.25 0.00 0.00 85 P 0.00 4.71 0.00 2.28 2.21 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 86 R 8.19 4.34 0.00 2.13 2.12 0.00 3.44 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 87 D 8.20 4.36 0.00 2.65 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 88 Q 7.89 4.03 0.00 1.53 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 89 F 8.07 5.06 0.00 3.17 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 90 E 8.64 4.11 0.00 2.10 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 0.00 2.29 2.34 0.00 91 G 8.14 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.96 4.54 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.09 0.98 0.00 0.00 93 E 8.77 4.17 0.00 2.06 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 2.24 2.25 0.00 94 L 7.72 4.57 0.00 1.23 1.11 0.41 0.38 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 95 E 7.34 3.13 0.00 1.53 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 96 K 8.40 4.02 0.00 1.89 1.79 0.00 1.94 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.81 7.81 97 G 8.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 M 7.45 4.52 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 99 S 8.50 4.50 0.00 3.56 3.80 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 0.00 100 V 8.32 4.27 1.91 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 0.64 0.00 0.00 0.98 0.00 0.00 101 F 8.73 5.48 0.00 2.99 2.98 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 0.00 102 G 8.99 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 0.00 103 Q 8.77 4.56 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 104 T 8.73 4.26 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 1.23 0.00 0.00 105 E 8.56 3.88 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 2.38 2.28 0.00 106 D 7.68 4.60 0.00 2.65 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 0.00 107 N 7.81 4.18 0.00 2.87 2.83 0.00 0.00 6.62 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 0.00 108 Q 7.55 4.68 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 109 T 8.71 5.14 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 1.32 0.00 0.00 110 I 8.59 4.38 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.06 0.96 0.00 0.00 111 Q 8.56 5.07 0.00 1.85 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 112 A 8.54 4.51 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.37 5.01 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.48 0.86 0.00 0.00 114 I 8.20 3.95 1.89 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 1.13 0.45 0.83 0.00 0.00 115 K 8.89 4.22 0.00 1.73 1.84 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.49 7.81 116 D 7.80 5.02 0.00 2.69 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 0.00 117 F 8.54 5.28 0.00 2.96 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 0.00 118 S 8.77 4.48 0.00 3.72 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 0.00 119 A 8.47 4.18 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 0.00 120 T 7.79 4.14 4.31 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 1.23 0.00 0.00 121 H 7.81 5.42 0.00 3.14 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.94 4.81 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 1.03 0.00 0.00 0.89 0.00 0.00 123 M 9.26 5.10 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 124 V 8.38 4.46 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 0.44 0.00 0.00 0.95 0.00 0.00 125 D 8.65 5.00 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.27 5.28 0.00 2.96 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 0.00 127 N 8.92 5.46 0.00 2.84 3.03 0.00 0.00 6.19 7.98 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 0.00 128 H 8.59 4.81 0.00 2.72 2.69 0.00 5.67 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.46 0.00 2.14 2.08 0.00 3.35 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 130 L 7.61 3.85 0.00 1.44 1.59 0.85 0.77 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 0.00 131 A 7.29 3.47 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 7.94 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 0.00 0.00 0.00 0.00 133 K 8.24 5.03 0.00 1.72 1.75 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.36 7.81 134 T 8.53 4.37 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 1.25 0.00 0.00 135 L 8.92 4.88 0.00 1.71 1.60 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.86 4.68 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 0.00 137 F 9.00 4.60 0.00 3.21 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 0.00 138 R 9.02 5.19 0.00 2.01 1.93 0.00 3.02 0.00 0.00 3.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 139 F 9.57 5.76 0.00 3.45 3.28 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 0.00 140 K 9.02 4.27 0.00 0.79 0.74 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 1.02 7.81 141 V 8.19 3.87 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.15 0.00 0.00 142 L 8.55 3.76 0.00 1.69 1.64 0.95 0.88 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 0.00 143 G 7.05 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 0.00 0.00 0.00 144 F 6.85 5.51 0.00 2.94 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 0.00 145 R 8.64 4.83 0.00 1.88 1.99 0.00 2.77 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 146 E 8.84 4.49 0.00 1.89 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 2.32 2.37 0.00 147 V 8.28 4.60 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 0.75 0.00 0.00 0.94 0.00 0.00 148 S 8.19 4.73 0.00 3.79 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 0.00 149 E 8.47 4.42 0.00 1.95 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 2.28 2.29 0.00 150 E 7.04 4.47 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 151 E 8.04 4.16 0.00 2.00 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 2.32 2.25 0.00