NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5261 8.1627 120.3619 55.9736 34.4270 177.1534 2 M 3.9416 8.1927 117.5299 58.0309 32.2435 176.1176 3 D 4.3482 8.3998 117.9485 57.5425 41.8055 177.0681 4 Y 4.1325 7.9409 119.4821 60.7700 38.8704 177.7388 5 L 3.7476 8.3576 120.2726 57.5677 41.3187 179.6282 6 I 3.7868 8.0561 120.2412 64.7434 36.9332 178.6743 7 T 4.0232 7.9073 108.3672 63.9711 68.9699 175.2366 8 Q 4.2766 7.9049 119.2103 54.6133 29.1562 175.4398 9 N 4.1102 7.3612 112.8667 54.2243 36.7071 174.8142 10 G 4.0997 8.5735 98.9008 45.0644 0.0000 174.8958 11 G 3.9016 7.8429 110.5105 47.2811 0.0000 175.3054 12 M 4.0071 8.2372 120.2423 59.1168 32.0023 178.4219 13 V 3.4998 7.5459 111.7333 64.5040 31.6352 178.5623 14 F 4.4148 7.9454 116.7407 60.2438 38.7639 177.7499 15 A 4.1102 8.1190 120.3206 54.8683 18.2706 179.6864 16 V 3.5165 8.0914 117.2103 66.1279 31.5756 178.0290 17 L 4.0227 8.1217 119.8589 57.9751 41.8860 178.7786 18 A 4.1017 8.2270 120.8565 55.5298 18.4369 179.4969 19 M 4.0195 8.1420 116.9446 58.4137 32.0008 178.8623 20 A 3.9858 8.1217 120.8180 55.4578 18.4944 179.7609 21 T 3.9985 8.3828 114.3439 66.8698 68.1639 176.6264 22 A 4.0909 8.1418 122.5258 55.5374 18.3920 179.9056 23 T 3.7941 7.9051 113.9199 66.8546 68.5205 177.1083 24 I 3.4940 8.0228 121.9347 64.5787 37.2263 178.7046 25 F 4.0934 7.7640 118.4975 60.2721 38.7320 178.1381 26 S 4.3101 7.8614 114.0485 61.3729 62.8530 176.8171 27 G 3.5847 8.1379 109.4379 47.5198 0.0000 175.7819 28 I 3.8017 8.1245 122.6606 63.9325 37.1139 178.6141 29 G 3.6598 7.9688 106.4200 48.0208 0.0000 175.9345 30 S 4.5904 8.3582 118.9392 60.6972 62.8440 176.4704 31 A 3.9505 8.3244 123.8659 55.2375 18.0336 179.9268 32 K 4.0061 8.3400 117.0949 59.4767 32.1460 179.9899 33 G 3.5469 8.1589 105.9954 47.8651 0.0000 176.0182 34 V 3.8440 8.5146 121.6846 65.3452 31.4424 178.3156 35 G 3.5605 8.2599 105.6340 48.0659 0.0000 175.2082 36 M 4.0193 8.3644 121.8468 58.6575 32.1876 178.4856 37 T 4.0346 8.0622 115.9448 66.4524 68.4993 176.9904 38 G 3.6518 8.3884 107.9951 47.7737 0.0000 175.5897 39 E 3.9750 8.4563 120.8191 59.2061 29.4891 179.3816 40 A 3.9970 7.9830 120.2071 55.0517 18.4494 179.5774 41 A 3.9616 8.5135 119.6054 55.1377 18.2932 179.7215 42 A 3.9683 8.4734 119.5386 55.2661 18.2503 179.6936 43 A 3.9554 7.7587 118.1848 55.2429 18.7494 179.2711 44 L 4.0620 7.9963 118.8605 58.6853 41.5433 179.3963 45 T 4.1951 8.0622 115.7481 66.4094 68.1004 176.6244 46 T 4.0785 7.6380 111.4000 63.7905 68.7032 175.1064 47 S 4.6106 7.5714 114.7225 58.4789 65.7430 174.3484 48 Q 4.7580 8.4158 119.4358 53.4843 28.6349 174.2541 49 P 4.4563 0.0000 0.0000 64.8171 32.1962 179.0095 50 E 4.1175 8.1740 116.1283 58.2375 29.8704 177.2995 51 K 4.4624 8.0129 119.3152 56.5025 32.5260 177.9508 52 F 4.3287 8.2788 124.0703 61.5396 39.2250 177.3617 53 G 3.4763 8.1531 104.5670 48.0711 0.0000 175.4603 54 Q 3.9670 7.9696 120.0052 58.3937 28.7960 178.4565 55 A 3.9652 7.9658 121.9489 54.9676 18.5196 179.4423 56 L 3.7103 7.7989 119.1008 58.1137 41.8395 179.1925 57 I 3.6213 7.1672 118.2858 64.4278 37.1227 177.9798 58 L 4.0989 7.6632 119.1971 57.9415 41.2268 179.4354 59 Q 3.9452 7.8618 118.3452 59.0679 29.1429 177.9930 60 L 4.1175 7.7371 119.3779 56.8038 41.7144 179.0646 61 L 3.9160 7.4900 119.3359 57.5996 41.8870 177.3372 62 P 5.0546 0.0000 0.0000 63.0009 30.9193 177.8116 63 G 3.8162 8.2071 106.5089 46.0899 0.0000 176.0891 64 T 3.6452 7.3141 111.8147 64.3432 68.7631 176.5344 65 Q 4.1440 8.0423 120.7129 59.1480 28.8122 179.3725 66 G 3.6652 8.3734 106.6108 47.6119 0.0000 175.7950 67 L 4.0194 7.1017 118.0728 57.7877 41.6410 178.9199 68 Y 4.3778 7.8297 117.0336 61.2008 37.7756 179.1180 69 G 4.2585 8.3304 107.8966 47.3634 0.0000 175.4168 70 F 4.1716 8.4574 123.2805 61.0541 39.3241 177.3896 71 V 3.7476 8.3575 117.8465 66.1202 31.4055 178.0077 72 I 3.7814 8.2733 119.3411 64.4383 36.9947 178.1525 73 A 3.9882 8.2522 121.6624 55.3159 18.2570 179.5320 74 F 3.9783 8.2621 119.1465 61.1031 39.1611 177.2033 75 L 3.9354 8.1009 119.6905 57.9416 42.1358 178.7446 76 I 3.5562 7.8363 119.8969 64.1385 36.4954 177.8586 77 F 3.9497 8.0568 121.7630 61.3479 38.9226 176.8831 78 I 3.6411 7.1610 109.6422 62.1612 37.6470 176.0667 79 N 4.7427 7.1843 117.1862 52.9715 38.7814 175.7641 80 L 4.0960 6.9132 118.9334 55.2887 43.0357 176.1682 81 G 4.4458 7.9057 113.9054 45.7332 0.0000 173.0984 82 S 4.1684 7.9434 117.0176 60.7080 63.4333 175.1081 83 D 4.6355 7.9387 118.1610 54.4395 41.0012 175.3384 84 M 4.1413 7.6626 118.7552 55.8428 32.7771 176.1389 85 S 4.3629 8.4920 121.1981 57.9201 65.5080 175.3184 86 V 3.7476 8.2607 121.6973 66.0092 31.2698 178.1797 87 V 3.4950 7.7688 117.6139 66.1563 31.3918 177.6609 88 Q 3.9177 8.0170 118.8195 58.9779 28.8886 178.2661 89 G 3.9500 8.3192 106.7822 48.1422 0.0000 175.7056 90 L 3.9746 8.2851 122.0133 57.2945 41.5325 179.3655 91 N 4.2463 8.2683 116.6835 56.2673 38.5452 177.4319 92 F 4.3092 8.1254 119.2067 60.3457 38.7632 177.4622 93 L 4.1826 8.0337 119.1525 58.2792 42.1429 178.8845 94 G 3.8018 8.4618 105.7316 47.8948 0.0000 175.4385 95 A 4.0966 8.2068 123.1650 54.7564 18.4889 179.6167 96 S 4.2850 8.0861 112.0696 60.8191 63.2910 176.7660 97 L 4.1956 7.7973 123.4204 57.3184 41.3951 177.2293 98 P 4.3696 0.0000 0.0000 65.9476 31.3935 178.5353 99 I 3.8716 8.0513 116.9460 63.7468 37.8973 177.6202 100 A 3.9650 8.0091 121.4993 55.2739 18.2775 179.3304 101 F 4.5973 8.2819 115.5562 59.8135 39.5012 178.6468 102 T 4.2762 8.4698 110.0023 64.5667 68.5740 177.0087 103 G 3.7006 8.4121 108.6468 47.5577 0.0000 175.1938 104 L 3.9933 8.0418 123.2084 58.1400 42.1506 179.2023 105 F 4.2297 8.4218 117.7056 60.3867 38.9316 178.1167 106 S 4.4467 8.7806 114.3941 61.1306 62.9095 176.8040 107 G 3.6417 8.2564 109.5100 47.7370 0.0000 175.7888 108 I 3.7229 7.6287 122.1318 63.9968 37.0323 178.4110 109 A 4.0613 8.1855 121.6181 55.3114 18.2744 179.5116 110 Q 4.0835 8.7659 118.6993 59.1801 29.0423 178.4902 111 G 3.7030 8.2491 106.8925 47.7829 0.0000 175.8038 112 K 3.9974 8.0006 120.2835 59.2357 32.0418 179.6979 113 V 3.6049 7.7114 118.3833 65.8505 31.2592 177.9674 114 A 4.0020 8.2653 119.7357 55.1018 18.5083 179.0666 115 A 4.0759 8.3353 119.3036 55.3688 18.5331 179.7335 116 A 4.1038 8.2146 119.3782 55.2228 18.4397 180.1036 117 G 3.6965 8.3350 104.2328 47.7664 0.0000 175.9235 118 I 3.7834 7.5552 121.8014 64.5505 37.0282 178.3985 119 Q 4.0399 8.0764 118.4550 58.6658 28.4029 178.6750 120 I 3.7286 7.6631 120.6482 64.2846 37.0264 177.8568 121 L 3.8692 7.7025 119.6273 58.0962 41.9316 178.5735 122 A 4.1407 7.9828 119.7061 54.9012 18.4442 178.9457 123 K 4.3619 7.9012 114.7718 56.9831 34.6562 177.5149 124 K 4.7131 8.5971 117.8707 53.6417 32.6327 175.0428 125 P 4.4591 0.0000 0.0000 65.5882 31.7084 179.0972 126 E 4.0696 8.1747 115.1678 58.3177 29.9188 176.9055 127 H 4.7902 8.5038 116.8870 55.5684 29.2438 176.0413 128 A 4.0597 7.8273 124.9108 55.6570 17.9829 180.6613 129 T 3.8009 7.9022 113.8203 66.6638 68.4792 176.6257 130 K 3.7728 8.1651 120.6918 59.2758 32.1146 179.5562 131 G 3.7419 7.8938 106.0074 47.7648 0.0000 175.8224 132 I 3.7405 7.6558 121.6539 64.2196 37.2120 178.4261 133 I 3.6361 7.6548 120.4975 64.3272 36.6947 178.2894 134 F 4.4919 7.6078 117.0827 60.9336 39.0809 177.4232 135 A 4.2130 8.1432 119.4581 55.0580 18.1676 179.5422 136 A 4.0577 8.3904 119.5288 55.3466 18.1617 179.6796 137 M 4.1448 7.8177 116.1527 58.2193 32.1179 178.5230 138 V 4.0716 7.8495 117.9310 65.2333 31.7221 177.4373 139 E 4.0008 8.1616 119.5096 59.4315 29.2646 178.5765 140 T 3.6279 7.7895 115.4431 67.1567 68.5229 175.5681 141 Y 4.1569 7.2036 117.6766 60.5313 37.8195 178.0565 142 A 4.1894 8.0788 121.6742 55.1443 18.5446 179.5432 143 I 3.3534 7.7899 118.3489 64.4071 37.1575 178.6471 144 L 4.0900 8.2093 120.1589 57.7427 41.4586 179.8458 145 G 3.9926 8.0748 106.6759 47.2198 0.0000 175.4574 146 F 4.2438 8.5544 123.5538 61.0308 39.3197 177.4000 147 V 3.3816 8.1117 118.0649 66.0078 31.3465 178.0523 148 I 3.7012 7.7513 119.5089 64.4840 36.8697 178.5025 149 S 4.4014 8.1086 117.2872 60.9230 62.7933 176.4822 150 F 3.7584 8.2807 123.5133 61.3376 38.8669 177.1345 151 L 4.0763 7.9559 117.1245 57.9324 41.5849 179.3181 152 L 4.0942 8.1203 118.9444 57.4549 41.2920 179.6946 153 V 3.6750 8.0277 118.6687 66.0829 31.3278 178.1815 154 L 3.9472 7.4829 116.5416 56.6982 41.4785 177.8456 155 N 4.6494 7.3113 114.5725 53.1039 39.5488 174.2533 156 A 3.8078 7.2222 127.2130 53.0636 18.2429 177.1354 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 -0.25 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 2.40 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 8.40 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 4.13 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 8.36 3.75 0.00 1.94 1.74 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.06 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 1.20 0.92 0.00 0.00 7 T 7.91 4.02 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 1.26 0.00 0.00 8 Q 7.90 4.28 0.00 1.60 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 9 N 7.36 4.11 0.00 2.79 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 8.57 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 3.90 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 12 M 8.24 4.01 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 13 V 7.55 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 0.77 0.00 0.00 0.18 0.00 0.00 14 F 7.95 4.41 0.00 3.35 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 15 A 8.12 4.11 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 8.09 3.52 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 8.12 4.02 0.00 2.00 1.98 1.01 1.20 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 1.60 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 19 M 8.14 4.02 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 20 A 8.12 3.99 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 21 T 8.38 4.00 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 1.42 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 7.91 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 1.29 0.00 0.00 24 I 8.02 3.49 1.50 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 0.21 0.00 0.00 25 F 7.76 4.09 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 7.86 4.31 0.00 4.19 4.35 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 27 G 8.14 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.12 3.80 1.96 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 1.37 0.62 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 8.36 4.59 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 8.32 3.95 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 32 K 8.34 4.01 0.00 1.86 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.57 7.81 33 G 8.16 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 8.51 3.84 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 0.98 0.00 0.00 35 G 8.26 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 8.36 4.02 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.11 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 8.06 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 8.39 3.65 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 0.00 0.00 0.00 39 E 8.46 3.98 0.00 2.21 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 7.98 4.00 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 41 A 8.51 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 42 A 8.47 3.97 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 43 A 7.76 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 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 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.06 4.20 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 1.23 0.00 0.00 46 T 7.64 4.08 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 4.14 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 8.42 4.76 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 49 P 0.00 4.46 0.00 2.19 2.40 0.00 3.76 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 8.17 4.12 0.00 2.12 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 2.30 2.29 0.00 51 K 8.01 4.46 0.00 2.06 1.87 0.00 1.70 0.00 0.00 1.72 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 7.97 3.97 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 1.34 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 56 L 7.80 3.71 0.00 1.14 1.45 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 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 7.66 4.10 0.00 1.85 1.71 0.92 0.80 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 7.86 3.95 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 60 L 7.74 4.12 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 7.49 3.92 0.00 1.90 1.73 0.95 0.92 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 5.05 0.00 2.18 2.23 0.00 3.94 0.00 0.00 3.83 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 8.21 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 64 T 7.31 3.65 3.38 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 1.04 0.00 0.00 65 Q 8.04 4.14 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 8.37 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.10 4.02 0.00 1.61 1.60 0.75 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.83 4.38 0.00 3.23 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 4.26 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 0.00 0.00 0.00 70 F 8.46 4.17 0.00 3.26 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 71 V 8.36 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 1.50 0.00 0.00 1.24 0.00 0.00 72 I 8.27 3.78 2.20 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 2.09 1.00 0.99 0.00 0.00 73 A 8.25 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 74 F 8.26 3.98 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 8.10 3.94 0.00 1.84 1.84 0.80 0.45 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 7.84 3.56 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.29 0.00 0.00 77 F 8.06 3.95 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 7.16 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 1.51 0.62 0.43 0.00 0.00 79 N 7.18 4.74 0.00 2.87 2.97 0.00 0.00 6.99 7.92 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 80 L 6.91 4.10 0.00 1.47 1.39 0.57 0.61 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 81 G 7.91 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 0.00 0.00 0.00 0.00 82 S 7.94 4.17 0.00 3.99 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 83 D 7.94 4.64 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 7.66 4.14 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.59 0.00 85 S 8.49 4.36 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 8.26 3.75 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 1.08 0.00 0.00 1.10 0.00 0.00 87 V 7.77 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 0.92 0.00 0.00 0.89 0.00 0.00 88 Q 8.02 3.92 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 89 G 8.32 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 0.00 0.00 0.00 90 L 8.29 3.97 0.00 1.69 1.57 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.27 4.25 0.00 2.67 2.61 0.00 0.00 6.95 7.73 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 92 F 8.13 4.31 0.00 3.37 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.03 4.18 0.00 1.95 1.95 1.10 1.25 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 8.46 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 0.00 0.00 0.00 95 A 8.21 4.10 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 8.09 4.29 0.00 4.27 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 7.80 4.20 0.00 1.85 1.98 0.98 1.29 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 2.36 2.19 0.00 3.83 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 8.05 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 1.84 1.46 1.10 0.00 0.00 100 A 8.01 3.96 1.18 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 0.00 0.00 101 F 8.28 4.60 0.00 3.28 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 8.47 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 1.42 0.00 0.00 103 G 8.41 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 8.04 3.99 0.00 2.05 1.87 0.90 0.77 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 4.23 0.00 3.44 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 0.00 106 S 8.78 4.45 0.00 4.23 4.35 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 0.00 107 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 0.00 108 I 7.63 3.72 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.96 0.94 0.00 0.00 109 A 8.19 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 0.00 110 Q 8.77 4.08 0.00 2.31 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 8.25 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 0.00 112 K 8.00 4.00 0.00 2.06 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 1.62 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 1.15 0.00 0.00 1.05 0.00 0.00 114 A 8.27 4.00 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 8.34 4.08 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 0.00 116 A 8.21 4.10 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 G 8.34 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 0.00 118 I 7.56 3.78 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 0.83 0.96 0.00 0.00 119 Q 8.08 4.04 0.00 2.17 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 3.73 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 0.95 1.00 0.00 0.00 121 L 7.70 3.87 0.00 1.66 1.97 0.96 1.18 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 0.00 122 A 7.98 4.14 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 0.00 123 K 7.90 4.36 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 2.94 0.00 0.00 0.00 0.00 1.42 1.62 7.81 124 K 8.60 4.71 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.46 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 4.07 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 1.97 2.15 0.00 127 H 8.50 4.79 0.00 3.29 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 4.06 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 0.00 129 T 7.90 3.80 4.20 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 1.16 0.00 0.00 130 K 8.17 3.77 0.00 1.88 1.53 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.41 7.81 131 G 7.89 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 0.00 0.00 0.00 132 I 7.66 3.74 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 0.67 0.88 0.00 0.00 133 I 7.65 3.64 1.70 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 1.00 0.79 0.00 0.00 134 F 7.61 4.49 0.00 3.21 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 8.14 4.21 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 8.39 4.06 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 7.82 4.14 0.00 2.13 2.42 0.00 0.00 0.00 0.00 0.00 2.31 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 7.85 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 1.22 0.00 0.00 1.04 0.00 0.00 139 E 8.16 4.00 0.00 2.19 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 2.36 2.48 0.00 140 T 7.79 3.63 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 0.75 0.00 0.00 141 Y 7.20 4.16 0.00 3.21 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 0.00 142 A 8.08 4.19 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 7.79 3.35 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 1.27 0.75 0.83 0.00 0.00 144 L 8.21 4.09 0.00 1.75 1.77 1.01 1.03 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 8.07 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 8.55 4.24 0.00 2.89 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 0.00 147 V 8.11 3.38 2.07 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 1.02 0.00 0.00 0.95 0.00 0.00 148 I 7.75 3.70 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 1.75 0.82 0.93 0.00 0.00 149 S 8.11 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 3.76 0.00 2.62 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 0.00 151 L 7.96 4.08 0.00 1.83 1.73 0.93 1.04 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 8.12 4.09 0.00 1.89 1.68 0.93 0.66 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 8.03 3.67 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 1.11 0.00 0.00 1.07 0.00 0.00 154 L 7.48 3.95 0.00 1.75 1.65 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.31 4.65 0.00 2.71 2.72 0.00 0.00 7.13 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