NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5255 8.1627 120.3620 55.9788 34.4202 177.1586 2 M 3.9409 8.1923 117.5241 58.0302 32.2602 176.0802 3 D 4.3523 8.4157 117.9443 57.5822 41.7647 177.1013 4 Y 4.1391 7.9393 119.4417 60.7612 38.8734 177.7067 5 L 3.7306 8.3512 120.2660 57.5754 41.2185 179.6035 6 I 3.7925 8.0713 120.2609 64.7523 36.9329 178.6838 7 T 4.0093 7.8987 108.3489 63.9927 68.9675 175.2311 8 Q 4.2784 7.9403 119.2361 54.6219 29.1369 175.4323 9 N 4.1111 7.3720 112.9658 54.2225 36.7354 174.8134 10 G 4.0986 8.5753 98.9431 45.0715 0.0000 174.9290 11 G 3.9108 7.8419 110.4336 47.2922 0.0000 175.3070 12 M 4.0044 8.2486 120.2363 59.1396 31.9893 178.4286 13 V 3.5003 7.5667 111.7193 64.4896 31.6281 178.5479 14 F 4.4015 7.9894 116.8277 60.2289 38.7802 177.7747 15 A 4.1046 8.1223 120.3050 54.8840 18.2541 179.7006 16 V 3.5103 8.0968 117.2108 66.1287 31.5702 178.0249 17 L 4.0222 8.0800 119.8734 58.0020 41.8786 178.8055 18 A 4.0993 8.2271 120.8608 55.4998 18.4574 179.5032 19 M 4.0200 8.1407 116.9775 58.4197 32.0060 178.8673 20 A 3.9951 8.1163 120.8395 55.4410 18.4806 179.7918 21 T 3.9940 8.3636 114.3102 66.8499 68.1427 176.6272 22 A 4.0908 8.1409 122.5555 55.5674 18.3914 179.9170 23 T 3.7883 7.8940 113.8391 66.8441 68.5177 177.1295 24 I 3.4865 8.0291 121.9517 64.5597 37.1813 178.6931 25 F 4.1018 7.7489 118.5249 60.3140 38.6924 178.1184 26 S 4.3074 7.8508 114.0054 61.4197 62.7845 176.8672 27 G 3.5747 8.1427 109.4156 47.4253 0.0000 175.8240 28 I 3.7799 8.1314 122.6443 64.0088 37.1223 178.5849 29 G 3.6626 7.9736 106.4807 48.0265 0.0000 175.9066 30 S 4.6082 8.3342 118.9534 60.7082 62.8457 176.4917 31 A 3.9532 8.2787 123.8481 55.2455 18.0084 179.9296 32 K 4.0142 8.3622 117.1512 59.4675 32.1420 179.9991 33 G 3.5494 8.1835 106.0404 47.8493 0.0000 176.0500 34 V 3.8492 8.5214 121.5991 65.3466 31.4642 178.3409 35 G 3.5607 8.2497 105.6432 48.0418 0.0000 175.2519 36 M 4.1607 8.3241 121.7715 58.6696 32.1947 178.4654 37 T 4.0284 8.0523 115.9749 66.4976 68.4928 176.9704 38 G 3.6343 8.4025 107.9843 47.7384 0.0000 175.6350 39 E 3.9762 8.4454 120.7571 59.2072 29.4826 179.3516 40 A 3.9930 7.9690 120.1708 55.0623 18.4465 179.5755 41 A 3.9599 8.4832 119.5761 55.1368 18.3093 179.7173 42 A 3.9635 8.4706 119.5321 55.2835 18.2529 179.7016 43 A 3.9536 7.7640 118.1803 55.2428 18.7307 179.2919 44 L 4.0636 7.9986 118.8772 58.6560 41.6367 179.3831 45 T 4.1557 8.0324 115.7953 66.4031 68.1029 176.6167 46 T 4.0691 7.6501 111.4437 63.7746 68.7116 175.1078 47 S 4.6147 7.5689 114.7429 58.5036 65.7655 174.3550 48 Q 4.8313 8.6442 118.8481 52.3201 28.6591 174.2074 49 P 4.4662 0.0000 0.0000 64.7470 32.5489 178.9938 50 E 4.1203 8.2211 116.9341 58.2291 29.9455 177.8346 51 K 4.4875 7.9925 119.2251 56.4902 32.5450 177.9315 52 F 4.3328 8.2766 124.1628 61.5262 39.1978 177.3491 53 G 3.4772 8.1488 104.5734 48.0819 0.0000 175.4690 54 Q 3.9638 7.9627 120.0417 58.3829 28.7962 178.4344 55 A 3.9681 7.9673 121.9409 54.9814 18.5171 179.4510 56 L 3.7149 7.7815 119.0436 58.1015 41.8357 179.2186 57 I 3.6231 7.1717 118.3504 64.4264 37.2130 178.0068 58 L 4.0987 7.6679 119.2381 57.9033 41.2081 179.4156 59 Q 3.9402 7.8527 118.4999 59.0887 29.1565 178.0240 60 L 4.1098 7.7467 119.3735 56.8568 41.7277 179.1257 61 L 3.9143 7.5098 119.5388 57.5923 41.9240 177.2777 62 P 5.1415 0.0000 0.0000 62.8901 30.5000 177.8225 63 G 3.8053 8.2161 106.6764 46.1785 0.0000 176.1474 64 T 3.7041 7.3118 111.6662 64.3590 68.7369 176.5581 65 Q 4.1303 8.0186 120.7145 59.1191 28.8282 179.2964 66 G 3.6584 8.3253 106.6096 47.5714 0.0000 175.8234 67 L 4.0139 7.1067 118.1376 57.8110 41.6400 178.9115 68 Y 4.3894 7.8150 117.0075 61.2281 37.7769 179.1391 69 G 4.3103 8.3329 107.8604 47.3595 0.0000 175.4078 70 F 4.1686 8.4738 123.2562 61.0537 39.3313 177.3672 71 V 3.7486 8.3494 117.8415 66.1462 31.4038 178.0135 72 I 3.7787 8.2740 119.3197 64.4352 36.9987 178.1575 73 A 3.9908 8.2674 121.7046 55.3107 18.2635 179.5270 74 F 3.9896 8.2609 119.1134 61.0906 39.1656 177.2276 75 L 3.9386 8.1134 119.7149 57.9287 42.1561 178.7542 76 I 3.5637 7.8322 119.8976 64.1364 36.5309 177.8415 77 F 3.9607 8.0391 121.7549 61.3476 38.9244 176.8334 78 I 3.6427 7.1423 109.3492 62.0534 37.6555 176.0185 79 N 4.7644 7.2435 117.2260 53.0047 38.8453 175.7405 80 L 4.1017 6.9258 119.1677 55.3021 43.0621 176.1230 81 G 4.4366 7.9227 113.7327 45.6977 0.0000 173.1100 82 S 4.1715 7.9544 117.0275 60.6570 63.4409 175.0826 83 D 4.6492 7.9359 118.2730 54.4178 40.9794 175.3609 84 M 4.1422 7.6534 118.6790 55.8694 32.7887 176.1093 85 S 4.3420 8.4974 121.1851 57.9281 65.4803 175.2907 86 V 3.7346 8.2801 121.8426 66.0688 31.2228 178.2237 87 V 3.4903 7.7621 117.5512 66.1791 31.3973 177.6653 88 Q 3.9061 8.0204 118.8328 58.9478 28.8887 178.2809 89 G 3.9385 8.3176 106.7953 48.1216 0.0000 175.7143 90 L 3.9674 8.2603 122.0826 57.3083 41.5413 179.3595 91 N 4.2519 8.3131 116.7236 56.2606 38.5093 177.4383 92 F 4.3136 8.1453 119.1930 60.3585 38.7725 177.4237 93 L 4.1737 8.0508 119.0732 58.3002 42.1399 178.9125 94 G 3.7936 8.4906 105.7404 47.8720 0.0000 175.4447 95 A 4.0848 8.1962 123.1950 54.8011 18.4908 179.6692 96 S 4.2699 8.1403 112.3382 60.8962 63.2436 176.7767 97 L 4.1962 7.7912 123.4618 57.3129 41.4046 177.2769 98 P 4.3704 0.0000 0.0000 65.9063 31.3896 178.5349 99 I 3.8680 8.0438 117.0004 63.7586 37.8990 177.5422 100 A 3.9673 7.9885 121.4920 55.3346 18.2359 179.3534 101 F 4.5732 8.2863 115.4999 59.8417 39.4653 178.6512 102 T 4.2765 8.4612 109.9733 64.5507 68.5784 176.9996 103 G 3.7005 8.4306 108.6531 47.5708 0.0000 175.2126 104 L 4.0039 8.0299 123.2579 58.0929 42.1502 179.1986 105 F 4.2080 8.4206 117.7879 60.4195 38.8999 178.0904 106 S 4.4416 8.7621 114.3485 61.1315 62.9003 176.7986 107 G 3.6410 8.2690 109.4974 47.7488 0.0000 175.7910 108 I 3.7206 7.6324 122.0962 63.9826 37.0294 178.4257 109 A 4.0494 8.2057 121.6398 55.2930 18.3597 179.5027 110 Q 4.0798 8.7343 118.7060 59.1948 29.0347 178.5062 111 G 3.7103 8.2270 106.8880 47.8285 0.0000 175.8102 112 K 4.0088 7.9637 120.4593 59.1842 31.9961 179.7203 113 V 3.5954 7.7129 118.4696 65.8600 31.2714 177.9889 114 A 3.9923 8.2417 119.6833 55.0824 18.5383 179.0457 115 A 4.0772 8.3718 119.3856 55.3858 18.5908 179.7330 116 A 4.0991 8.1795 119.3803 55.2303 18.4210 180.0949 117 G 3.7059 8.3748 104.2868 47.8269 0.0000 175.9055 118 I 3.7875 7.5677 121.7008 64.5224 37.0399 178.4095 119 Q 4.0494 8.1003 118.5605 58.6778 28.3970 178.6740 120 I 3.7355 7.6596 120.6274 64.2867 37.0291 177.8318 121 L 3.8449 7.7147 119.6717 58.1367 41.9181 178.6106 122 A 4.1385 7.9618 119.6293 54.8999 18.4474 178.9641 123 K 4.3547 7.9288 114.8092 57.0316 34.6269 177.5429 124 K 4.7941 8.6599 118.0372 53.6726 32.6867 175.0607 125 P 4.4965 0.0000 0.0000 65.6019 31.6996 179.1055 126 E 4.0634 8.1744 115.2050 58.3492 29.9442 176.9218 127 H 4.7809 8.5595 116.8070 55.5701 29.2880 176.0950 128 A 4.0533 7.8290 124.8997 55.6721 17.9674 180.6522 129 T 3.8200 7.9112 113.7912 66.6859 68.4584 176.6309 130 K 3.7759 8.1940 120.6882 59.2428 32.0681 179.5721 131 G 3.7293 7.9395 105.7104 47.7355 0.0000 175.8156 132 I 3.7302 7.6640 121.6684 64.2396 37.3026 178.4021 133 I 3.6300 7.6877 120.4785 64.3721 36.6944 178.3304 134 F 4.4939 7.6440 117.0782 60.8871 39.1414 177.3971 135 A 4.2160 8.1460 119.5140 55.0462 18.1801 179.5519 136 A 4.0528 8.3586 119.5006 55.3755 18.1611 179.6908 137 M 4.1378 7.8454 116.1715 58.2743 32.1149 178.5609 138 V 4.0656 7.8794 117.8611 65.2814 31.7171 177.4441 139 E 4.0051 8.1556 119.5015 59.4466 29.2570 178.5740 140 T 3.6329 7.8000 115.4142 67.1637 68.4624 175.5676 141 Y 4.1393 7.2269 117.6432 60.5494 37.8327 178.0347 142 A 4.1836 8.0814 121.6360 55.1737 18.5381 179.5605 143 I 3.3707 7.8127 118.3590 64.3639 37.1525 178.6445 144 L 4.0890 8.2214 120.1965 57.7756 41.4857 179.8404 145 G 3.9907 8.1010 106.8414 47.1845 0.0000 175.4612 146 F 4.2337 8.5652 123.4844 61.0435 39.3176 177.3691 147 V 3.3812 8.0991 118.0650 66.0161 31.3492 178.0206 148 I 3.6947 7.7516 119.4531 64.5260 36.8803 178.4937 149 S 4.4040 8.0813 117.2525 60.9127 62.7481 176.5358 150 F 3.7470 8.2835 123.4940 61.3149 38.8847 177.1325 151 L 4.0797 7.9736 117.1965 57.9285 41.5815 179.3151 152 L 4.0956 8.1054 118.9352 57.4723 41.3089 179.6870 153 V 3.6627 8.0170 118.6277 66.0810 31.3226 178.1870 154 L 3.9348 7.4613 116.6036 56.7766 41.4757 177.8854 155 N 4.6294 7.3455 114.5865 53.1826 39.4864 174.3163 156 A 3.8078 7.2178 127.2401 53.0369 18.2428 177.1227 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 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 2 M 8.19 3.94 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 3 D 8.42 4.35 0.00 2.80 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 4 Y 7.94 4.14 0.00 3.10 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 5 L 8.35 3.73 0.00 1.94 1.74 0.90 0.99 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 6 I 8.07 3.79 2.09 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 1.60 1.19 0.92 0.00 0.00 7 T 7.90 4.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 8 Q 7.94 4.28 0.00 1.59 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 9 N 7.37 4.11 0.00 2.78 2.79 0.00 0.00 6.78 7.53 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 10 G 8.58 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 11 G 7.84 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 0.00 0.00 0.00 12 M 8.25 4.00 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 13 V 7.57 3.50 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 0.67 0.00 0.00 0.19 0.00 0.00 14 F 7.99 4.40 0.00 3.35 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 15 A 8.12 4.10 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 16 V 8.10 3.51 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 0.99 0.00 0.00 0.95 0.00 0.00 17 L 8.08 4.02 0.00 2.00 1.98 1.00 1.28 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 18 A 8.23 4.10 1.54 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 19 M 8.14 4.02 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 20 A 8.12 4.00 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 21 T 8.36 3.99 4.52 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 1.43 0.00 0.00 22 A 8.14 4.09 1.45 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 0.00 0.00 23 T 7.89 3.79 4.39 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 1.30 0.00 0.00 24 I 8.03 3.49 1.48 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.22 0.00 0.00 25 F 7.75 4.10 0.00 2.79 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 26 S 7.85 4.31 0.00 4.16 4.22 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 27 G 8.14 3.57 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 0.00 0.00 0.00 28 I 8.13 3.78 1.96 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.63 0.88 0.00 0.00 29 G 7.97 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 30 S 8.33 4.61 0.00 3.86 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 31 A 8.28 3.95 1.32 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 0.00 0.00 32 K 8.36 4.01 0.00 1.85 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.57 7.81 33 G 8.18 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 3.85 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 1.05 0.00 0.00 1.00 0.00 0.00 35 G 8.25 3.56 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 0.00 36 M 8.32 4.16 0.00 2.07 2.08 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 2.61 2.60 0.00 37 T 8.05 4.03 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 38 G 8.40 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 39 E 8.45 3.98 0.00 2.22 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 2.33 2.52 0.00 40 A 7.97 3.99 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 41 A 8.48 3.96 1.40 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 0.00 0.00 42 A 8.47 3.96 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 43 A 7.76 3.95 1.40 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 0.00 0.00 44 L 8.00 4.06 0.00 1.81 1.87 0.94 0.93 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 45 T 8.03 4.16 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 46 T 7.65 4.07 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 47 S 7.57 4.61 0.00 4.13 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 48 Q 8.64 4.83 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 49 P 0.00 4.47 0.00 2.19 2.40 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.22 4.12 0.00 2.16 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 0.00 2.38 2.29 0.00 51 K 7.99 4.49 0.00 2.06 1.87 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.28 4.33 0.00 3.18 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 53 G 8.15 3.48 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 0.00 54 Q 7.96 3.96 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.97 3.97 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 56 L 7.78 3.71 0.00 1.14 1.45 0.82 0.86 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 57 I 7.17 3.62 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 0.65 0.86 0.00 0.00 58 L 7.67 4.10 0.00 1.85 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.85 3.94 0.00 2.13 2.20 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 2.34 2.52 0.00 60 L 7.75 4.11 0.00 1.86 1.63 0.85 0.29 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 61 L 7.51 3.91 0.00 1.88 1.73 0.96 0.96 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 62 P 0.00 5.14 0.00 2.17 2.22 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.04 0.00 63 G 8.22 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 0.00 0.00 0.00 0.00 64 T 7.31 3.70 3.37 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 1.04 0.00 0.00 65 Q 8.02 4.13 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.76 2.67 0.00 66 G 8.33 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 67 L 7.11 4.01 0.00 1.56 1.60 0.75 0.61 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 68 Y 7.81 4.39 0.00 3.24 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 69 G 8.33 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 0.00 0.00 0.00 0.00 70 F 8.47 4.17 0.00 3.26 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 71 V 8.35 3.75 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 1.49 0.00 0.00 1.24 0.00 0.00 72 I 8.27 3.78 2.19 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.02 0.99 0.00 0.00 73 A 8.27 3.99 1.40 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 0.00 0.00 74 F 8.26 3.99 0.00 2.74 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 75 L 8.11 3.94 0.00 1.83 1.83 0.79 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.83 3.56 1.89 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 1.43 0.89 0.27 0.00 0.00 77 F 8.04 3.96 0.00 3.00 2.84 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 78 I 7.14 3.64 1.68 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 1.46 0.62 0.46 0.00 0.00 79 N 7.24 4.76 0.00 2.88 2.98 0.00 0.00 6.99 7.13 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 80 L 6.93 4.10 0.00 1.46 1.39 0.59 0.67 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 81 G 7.92 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.95 4.17 0.00 3.99 4.11 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 0.00 0.00 0.00 83 D 7.94 4.65 0.00 2.64 2.69 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 84 M 7.65 4.14 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 85 S 8.50 4.34 0.00 4.09 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 86 V 8.28 3.73 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 1.07 0.00 0.00 1.10 0.00 0.00 87 V 7.76 3.49 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 0.99 0.00 0.00 0.89 0.00 0.00 88 Q 8.02 3.91 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 89 G 8.32 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 0.00 0.00 0.00 90 L 8.26 3.97 0.00 1.69 1.57 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.31 4.25 0.00 2.66 2.62 0.00 0.00 6.96 7.76 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 92 F 8.15 4.31 0.00 3.37 3.02 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 93 L 8.05 4.17 0.00 1.95 1.96 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.49 3.79 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 0.00 95 A 8.20 4.08 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 96 S 8.14 4.27 0.00 4.26 4.25 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 97 L 7.79 4.20 0.00 1.86 1.98 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.37 0.00 2.37 2.18 0.00 3.89 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 2.17 2.22 0.00 99 I 8.04 3.87 2.06 0.00 0.00 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 1.83 1.46 1.13 0.00 0.00 100 A 7.99 3.97 1.17 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 0.00 0.00 0.00 0.00 0.00 101 F 8.29 4.57 0.00 3.29 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 0.00 102 T 8.46 4.28 4.56 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 1.43 0.00 0.00 103 G 8.43 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 0.00 104 L 8.03 4.00 0.00 2.05 1.87 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.42 4.21 0.00 3.44 3.17 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 0.00 0.00 0.00 106 S 8.76 4.44 0.00 4.24 4.36 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 0.00 107 G 8.27 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 0.00 108 I 7.63 3.72 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.94 0.00 0.00 109 A 8.21 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.73 4.08 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 111 G 8.23 3.71 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 0.00 0.00 0.00 112 K 7.96 4.01 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 V 7.71 3.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.03 0.00 0.00 114 A 8.24 3.99 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 0.00 115 A 8.37 4.08 1.40 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 0.00 0.00 116 A 8.18 4.10 1.40 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 0.00 0.00 117 G 8.37 3.71 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 0.00 0.00 0.00 118 I 7.57 3.79 2.08 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 1.73 0.85 0.96 0.00 0.00 119 Q 8.10 4.05 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 120 I 7.66 3.74 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.98 0.97 0.00 0.00 121 L 7.71 3.84 0.00 1.65 1.97 0.92 1.17 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 0.00 122 A 7.96 4.14 1.40 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 0.00 0.00 123 K 7.93 4.35 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.62 7.81 124 K 8.66 4.79 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.50 0.00 2.21 2.43 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.17 4.06 0.00 2.01 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 1.99 2.16 0.00 127 H 8.56 4.78 0.00 3.28 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.83 4.05 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 0.00 129 T 7.91 3.82 4.19 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 1.16 0.00 0.00 130 K 8.19 3.78 0.00 1.87 1.52 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 131 G 7.94 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 0.00 132 I 7.66 3.73 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.63 0.88 0.00 0.00 133 I 7.69 3.63 1.69 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 1.44 0.99 0.78 0.00 0.00 134 F 7.64 4.49 0.00 3.20 3.02 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 0.00 135 A 8.15 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 0.00 136 A 8.36 4.05 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 0.00 137 M 7.85 4.14 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.02 0.00 138 V 7.88 4.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.04 0.00 0.00 139 E 8.16 4.01 0.00 2.18 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 2.36 2.48 0.00 140 T 7.80 3.63 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 0.75 0.00 0.00 141 Y 7.23 4.14 0.00 3.22 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 0.00 142 A 8.08 4.18 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.81 3.37 1.92 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 1.28 0.76 0.83 0.00 0.00 144 L 8.22 4.09 0.00 1.75 1.77 1.00 1.09 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 0.00 145 G 8.10 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 0.00 146 F 8.57 4.23 0.00 2.88 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 0.00 147 V 8.10 3.38 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 1.02 0.00 0.00 0.98 0.00 0.00 148 I 7.75 3.69 1.91 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 1.74 0.90 0.93 0.00 0.00 149 S 8.08 4.40 0.00 4.12 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.28 3.75 0.00 2.61 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 0.00 151 L 7.97 4.08 0.00 1.82 1.74 0.93 1.15 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 0.00 152 L 8.11 4.10 0.00 1.89 1.68 0.93 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 0.00 153 V 8.02 3.66 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 1.11 0.00 0.00 1.06 0.00 0.00 154 L 7.46 3.93 0.00 1.74 1.65 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.35 4.63 0.00 2.70 2.73 0.00 0.00 7.14 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 0.00 156 A 7.22 3.81 0.11 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 0.00 0.00 0.00 0.00 0.00