NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5293 8.1627 120.3617 55.9486 34.4959 177.3122 2 M 4.0351 8.0133 117.5830 57.8341 32.2866 176.3106 3 D 4.3788 8.3426 118.0870 57.2942 41.9402 177.0140 4 Y 4.1221 7.9454 119.5842 60.7483 38.9928 177.6961 5 L 3.7223 8.4353 120.2862 57.7786 41.2486 179.4473 6 I 3.6857 7.8020 119.8166 64.7632 36.9884 178.3276 7 T 4.2258 7.9187 107.7841 63.1184 68.8972 174.9639 8 Q 4.3597 7.3648 119.6062 54.7594 29.6297 175.3370 9 N 4.1147 7.4631 112.9731 54.4328 36.7045 174.2941 10 G 3.9989 8.4483 101.1882 45.8174 0.0000 176.1586 11 G 3.8764 7.7574 108.7019 47.3019 0.0000 175.4391 12 M 3.9641 8.2354 120.2511 59.1335 31.9886 178.3824 13 V 3.5252 7.5103 111.6107 64.6732 31.6260 178.6448 14 F 4.3531 7.8975 116.5387 60.2638 38.7591 177.7562 15 A 4.0699 8.0344 120.3199 54.9636 18.2132 179.6566 16 V 3.5149 8.1969 117.2759 66.1248 31.5928 177.9777 17 L 3.9837 8.1646 119.8766 57.9935 41.8644 178.7270 18 A 4.2285 8.1479 122.1936 54.9290 18.3994 179.5172 19 M 4.0094 8.1391 116.8230 58.4233 32.0693 178.7186 20 A 4.0201 8.1751 121.1662 55.3694 18.3886 179.6525 21 T 3.9801 8.4031 108.2990 65.1802 68.4194 176.1709 22 A 4.1000 8.1557 124.3745 54.9648 18.3841 179.8108 23 T 3.7800 8.0458 113.8453 66.8944 68.6111 176.9925 24 I 3.5155 8.1242 121.8303 64.6060 37.1434 178.6841 25 F 4.1306 7.7187 118.4147 60.3504 38.6811 178.0823 26 S 4.2929 7.8223 113.9986 61.3766 62.8590 176.7694 27 G 3.5930 8.2041 109.4256 47.5296 0.0000 175.7067 28 I 3.7772 8.2042 122.8653 63.9544 37.0257 178.6068 29 G 3.6859 8.0496 106.5509 48.0608 0.0000 175.9183 30 S 4.6152 8.4428 118.7540 60.6674 62.7946 176.5263 31 A 3.9577 8.4153 123.8171 55.1063 18.0754 179.8519 32 K 3.9839 8.4381 117.3751 59.5469 32.1826 179.9214 33 G 3.5559 8.2913 106.1544 47.9113 0.0000 175.9616 34 V 3.7180 8.5983 122.3062 65.2836 31.4495 178.2991 35 G 3.5786 8.3115 105.7509 47.9926 0.0000 175.2603 36 M 4.1639 8.3596 121.6978 58.6057 32.2829 178.3381 37 T 3.9680 7.9971 115.9499 66.5340 68.6174 176.5539 38 G 3.7753 8.4014 107.9827 48.0315 0.0000 175.3597 39 E 3.9551 8.3832 120.8848 59.1153 29.5545 179.3441 40 A 3.9782 7.9478 120.2252 55.1565 18.4429 179.5869 41 A 3.9624 8.4776 119.4858 55.1344 18.2314 179.7420 42 A 3.9576 8.3513 118.5194 55.1678 18.6469 179.2552 43 A 4.0938 8.1524 119.4070 55.4193 18.4859 179.5165 44 L 3.9251 7.9977 118.6462 58.8136 40.5731 179.3959 45 T 4.2320 8.0522 115.5935 66.3990 68.1039 176.6636 46 T 4.1012 7.7035 111.2842 63.7020 68.7659 175.1339 47 S 4.6277 7.5095 114.1606 58.6488 65.4620 174.3635 48 Q 4.8780 8.6123 119.4141 52.0286 28.5616 174.1308 49 P 4.4548 0.0000 0.0000 64.7136 32.1610 179.3817 50 E 4.0591 8.2693 117.2342 58.6483 29.8236 178.0560 51 K 4.6311 7.8925 118.2803 56.4013 32.5066 177.9205 52 F 4.3320 8.2703 123.0527 61.6238 39.2169 177.2258 53 G 3.5450 8.2071 104.4722 48.1045 0.0000 175.3198 54 Q 3.9360 7.9719 119.8643 58.5000 28.8020 178.4919 55 A 3.9668 8.0345 121.8291 54.9295 18.1255 179.4818 56 L 3.6602 7.6972 118.4983 58.1364 42.5259 178.8684 57 I 3.7651 7.4535 119.5868 64.4697 36.5981 178.2627 58 L 3.9740 7.7357 119.5670 58.0155 41.2349 179.4996 59 Q 3.9892 7.8238 118.2424 59.0134 29.1311 177.9848 60 L 4.0969 7.7389 119.7544 57.0197 41.2611 178.9851 61 L 3.9226 7.5114 118.6912 57.6536 41.9330 177.4501 62 P 5.0595 0.0000 0.0000 63.1712 31.5219 177.8855 63 G 3.8252 8.2417 106.4233 46.0716 0.0000 176.0131 64 T 3.5638 7.4622 112.2139 64.2996 68.8054 176.5765 65 Q 4.1889 8.0731 120.7519 59.1871 28.7729 179.3816 66 G 3.6738 8.2969 106.4343 47.5943 0.0000 175.7723 67 L 3.9971 7.1714 118.8888 57.7782 41.5117 178.9508 68 Y 4.3594 7.6389 116.8341 61.1625 37.7829 178.9527 69 G 4.3925 8.2834 107.8923 47.3111 0.0000 175.3333 70 F 4.1712 8.5687 123.3181 60.9904 39.4102 177.1870 71 V 3.7432 8.3700 117.9607 66.2929 31.3174 177.8358 72 I 3.7967 8.5161 119.5137 64.5288 36.9209 178.1073 73 A 3.9816 8.2826 121.5806 55.3614 18.2124 179.5381 74 F 3.9370 8.3094 119.1631 61.0835 39.1607 177.2113 75 L 3.9604 7.9855 119.6084 57.9314 42.1336 178.6621 76 I 3.6162 7.9141 119.9502 64.2327 36.9247 177.8029 77 F 3.9733 8.1742 121.9074 61.4394 38.9438 177.0165 78 I 3.5644 7.2423 109.4631 62.3265 37.4861 176.5495 79 N 4.7670 7.3280 117.4896 54.7208 39.3088 176.7338 80 L 4.0673 7.1828 123.5003 54.7449 42.0425 174.9363 81 G 3.8329 8.2616 107.5607 44.7050 0.0000 173.7424 82 S 4.3315 8.2767 117.3703 59.0865 63.7358 174.1885 83 D 4.5712 7.8648 119.6529 54.6215 41.4091 175.3486 84 M 4.2030 7.7501 119.2697 55.7355 32.9509 175.8819 85 S 4.6316 8.4419 120.9555 57.6778 65.8325 175.4289 86 V 3.6858 8.2301 121.6888 66.0151 31.2226 178.1303 87 V 3.4729 7.7749 117.5810 66.1507 31.3591 177.6003 88 Q 3.9110 7.9877 118.7166 59.0678 28.9286 178.3077 89 G 3.9819 8.4517 106.9506 48.1670 0.0000 175.6437 90 L 3.9598 8.3752 121.9861 57.2934 41.4970 179.3071 91 N 4.2248 8.2294 116.7141 56.3318 38.4591 177.3732 92 F 4.2559 8.1416 119.0683 60.4313 38.7923 177.3680 93 L 4.1774 8.0633 118.9927 58.2115 42.3231 178.9893 94 G 3.7512 8.4912 105.6717 47.8772 0.0000 175.4195 95 A 4.0934 8.5113 124.1494 54.8774 18.3725 179.7278 96 S 4.2870 8.2928 112.4029 60.9206 63.1805 176.7506 97 L 4.1564 7.9100 122.9031 57.3739 41.4050 177.1856 98 P 4.3603 0.0000 0.0000 66.0239 31.3623 178.4952 99 I 3.8501 8.1341 116.8634 63.7761 37.9075 177.5709 100 A 3.9668 8.0335 121.7425 55.2915 18.2240 179.3154 101 F 4.5483 8.3432 115.6213 59.8250 39.7042 178.6679 102 T 4.2497 8.4627 109.9545 64.6136 68.6073 176.6848 103 G 3.8491 8.3633 108.7026 47.6345 0.0000 175.0513 104 L 4.0163 8.0065 123.2111 57.9925 42.0322 179.1917 105 F 4.2638 8.4889 117.7261 60.3724 38.8904 178.1369 106 S 4.3625 8.9790 114.6769 61.2647 62.7511 176.4657 107 G 3.9218 8.2505 109.4785 47.8123 0.0000 175.4008 108 I 3.7006 7.6134 122.0186 63.9370 37.2971 178.4441 109 A 4.0433 8.3483 121.6581 55.2642 18.3635 179.4692 110 Q 4.0866 9.0374 119.0969 59.1555 29.1331 178.4552 111 G 3.7476 8.3826 107.0460 47.8848 0.0000 175.6014 112 K 3.9626 7.9941 120.8548 59.2431 32.0506 179.6493 113 V 3.5853 7.7554 117.6604 65.7997 31.5685 177.8538 114 A 3.9797 8.5508 120.7285 55.2263 18.0490 179.2319 115 A 3.9542 8.2586 118.0547 55.5641 18.8252 179.4723 116 A 4.1912 8.1265 119.2032 55.1636 18.4396 180.1132 117 G 3.6852 8.3662 104.4052 47.8220 0.0000 175.8460 118 I 3.7758 7.5950 121.6265 64.5723 37.1658 178.2886 119 Q 4.0876 8.0155 118.4167 58.4492 28.4976 178.5618 120 I 3.7361 7.6444 120.7143 64.2827 37.0389 177.7416 121 L 3.9055 7.8123 119.5810 58.3120 41.9146 178.6203 122 A 4.1413 7.9853 119.5187 54.5385 18.3747 178.8227 123 K 4.4102 7.8184 114.6693 56.8396 34.8242 177.3836 124 K 4.6905 8.5860 118.0014 53.5264 32.4595 175.0383 125 P 4.3407 0.0000 0.0000 65.3469 31.7541 179.0948 126 E 4.0869 8.1641 115.3214 58.2752 29.9384 176.8745 127 H 4.8076 8.4029 117.1803 55.6239 29.4663 176.1984 128 A 4.0713 7.7936 125.2395 55.6255 17.8656 180.7119 129 T 3.8126 7.8775 113.9351 66.5808 68.4421 176.5970 130 K 3.6948 8.0940 120.6739 59.3170 32.1957 179.4061 131 G 3.7817 8.0538 105.3135 47.9659 0.0000 175.4800 132 I 3.7353 7.6070 122.0010 64.1718 37.1437 178.6492 133 I 3.6493 7.8362 120.7147 64.2911 36.6802 178.2932 134 F 4.4426 7.6614 117.3002 60.9023 39.1656 177.4044 135 A 4.2137 8.1533 119.5801 55.0497 18.1483 179.4559 136 A 4.0075 8.4666 119.8102 55.6367 18.5076 179.6084 137 M 4.0231 8.1454 117.1860 58.7301 31.8623 179.1197 138 V 3.9782 7.9172 117.7877 65.5719 31.6577 177.3944 139 E 3.9809 8.3445 119.5711 59.6848 29.2539 178.7737 140 T 3.6109 7.2290 114.6959 67.1466 68.4560 175.6414 141 Y 4.2519 7.3118 117.4811 60.2216 37.9916 177.9618 142 A 4.1667 8.0667 121.8564 55.1146 18.6480 179.5501 143 I 3.3346 7.6798 118.3319 64.3895 37.1997 178.6442 144 L 4.1173 8.3237 120.3970 57.6950 41.4419 179.7820 145 G 4.1050 8.1096 106.9736 47.2297 0.0000 175.3781 146 F 4.2134 8.7012 123.6885 61.0127 39.3527 177.3052 147 V 3.4189 8.2789 118.1180 66.0206 31.3350 178.0263 148 I 3.7030 7.8196 119.3995 64.5266 36.8921 178.4670 149 S 4.4953 8.1140 117.3037 60.9104 62.6658 176.4887 150 F 3.7697 8.3072 123.4878 61.3431 38.9738 177.1174 151 L 4.0297 8.1538 118.4823 57.9576 41.2117 179.6761 152 L 3.9542 7.8167 117.8132 57.4417 41.6544 179.4600 153 V 3.7481 7.9591 118.5794 66.0928 31.3399 178.2186 154 L 3.9541 7.4866 117.0038 56.6892 41.4450 177.8975 155 N 4.6868 7.2511 114.2683 53.0864 39.3859 174.7639 156 A 3.9388 7.2385 126.1938 53.0475 18.4251 177.1234 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 2.15 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 8.01 4.04 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.34 4.38 0.00 2.80 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 4 Y 7.95 4.12 0.00 3.09 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 5 L 8.44 3.72 0.00 1.80 1.78 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.80 3.69 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.21 0.92 0.00 0.00 7 T 7.92 4.23 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 1.28 0.00 0.00 8 Q 7.36 4.36 0.00 1.54 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.64 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 9 N 7.46 4.11 0.00 2.78 2.92 0.00 0.00 6.79 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 8.45 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 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 0.00 0.00 0.00 12 M 8.24 3.96 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 13 V 7.51 3.53 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 0.68 0.00 0.00 0.22 0.00 0.00 14 F 7.90 4.35 0.00 3.35 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 15 A 8.03 4.07 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 16 V 8.20 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 0.99 0.00 0.00 17 L 8.16 3.98 0.00 1.99 1.98 1.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.15 4.23 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.14 4.01 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.75 0.00 20 A 8.18 4.02 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 8.40 3.98 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 1.50 0.00 0.00 22 A 8.16 4.10 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 23 T 8.05 3.78 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 24 I 8.12 3.52 1.48 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 1.36 0.56 0.20 0.00 0.00 25 F 7.72 4.13 0.00 2.78 2.77 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 26 S 7.82 4.29 0.00 4.08 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.20 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 0.00 0.00 0.00 28 I 8.20 3.78 1.94 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 1.36 0.69 0.88 0.00 0.00 29 G 8.05 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.44 4.62 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 8.42 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.44 3.98 0.00 1.87 1.86 0.00 1.64 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 1.45 1.51 7.81 33 G 8.29 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 34 V 8.60 3.72 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 1.06 0.00 0.00 0.93 0.00 0.00 35 G 8.31 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 36 M 8.36 4.16 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 8.00 3.97 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 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.38 3.96 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 2.34 2.54 0.00 40 A 7.95 3.98 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 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 8.35 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 8.15 4.09 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 44 L 8.00 3.93 0.00 1.81 1.89 0.94 0.66 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 45 T 8.05 4.23 4.42 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 1.22 0.00 0.00 46 T 7.70 4.10 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 1.28 0.00 0.00 47 S 7.51 4.63 0.00 4.02 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 48 Q 8.61 4.88 0.00 2.06 2.16 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 2.37 2.22 0.00 49 P 0.00 4.45 0.00 2.19 2.29 0.00 3.71 0.00 0.00 3.91 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 8.27 4.06 0.00 2.16 2.28 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 2.39 2.30 0.00 51 K 7.89 4.63 0.00 1.87 1.86 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.27 4.33 0.00 3.21 3.11 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 53 G 8.21 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 54 Q 7.97 3.94 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 55 A 8.03 3.97 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 56 L 7.70 3.66 0.00 0.98 1.52 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.45 3.77 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 1.00 0.86 0.00 0.00 58 L 7.74 3.97 0.00 1.87 1.72 0.90 0.81 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 59 Q 7.82 3.99 0.00 2.13 2.21 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 2.54 0.00 60 L 7.74 4.10 0.00 1.86 1.63 0.85 0.28 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 61 L 7.51 3.92 0.00 1.94 1.74 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.06 0.00 2.18 2.26 0.00 4.00 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 2.24 2.10 0.00 63 G 8.24 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 0.00 0.00 0.00 64 T 7.46 3.56 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 1.05 0.00 0.00 65 Q 8.07 4.19 0.00 2.17 2.28 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 2.79 2.69 0.00 66 G 8.30 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 7.17 4.00 0.00 1.62 1.57 0.74 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.64 4.36 0.00 3.28 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.28 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 0.00 0.00 0.00 0.00 70 F 8.57 4.17 0.00 3.24 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 8.37 3.74 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 nan 0.00 0.00 1.19 0.00 0.00 72 I 8.52 3.80 2.18 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.85 0.99 0.00 0.00 73 A 8.28 3.98 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 74 F 8.31 3.94 0.00 2.75 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 75 L 7.99 3.96 0.00 1.89 1.83 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.91 3.62 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.37 0.00 0.00 77 F 8.17 3.97 0.00 2.97 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 78 I 7.24 3.56 1.67 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 1.57 0.56 0.40 0.00 0.00 79 N 7.33 4.77 0.00 2.85 2.97 0.00 0.00 6.99 7.37 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 80 L 7.18 4.07 0.00 1.35 1.30 0.60 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.26 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 0.00 0.00 0.00 82 S 8.28 4.33 0.00 3.96 3.96 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 83 D 7.86 4.57 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 7.75 4.20 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.64 0.00 85 S 8.44 4.63 0.00 4.09 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 86 V 8.23 3.69 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 0.94 0.00 0.00 1.12 0.00 0.00 87 V 7.77 3.47 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 7.99 3.91 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 89 G 8.45 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 0.00 0.00 0.00 90 L 8.38 3.96 0.00 1.67 1.57 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.23 4.22 0.00 2.66 2.60 0.00 0.00 6.97 8.08 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 92 F 8.14 4.26 0.00 3.42 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.06 4.18 0.00 1.81 1.97 1.08 1.10 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 94 G 8.49 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 95 A 8.51 4.09 1.44 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 96 S 8.29 4.29 0.00 4.25 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 7.91 4.16 0.00 1.96 1.97 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.33 2.19 0.00 3.77 0.00 0.00 3.90 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 8.13 3.85 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 1.09 0.00 0.00 100 A 8.03 3.97 1.20 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 0.00 0.00 101 F 8.34 4.55 0.00 3.29 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.46 4.25 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 1.38 0.00 0.00 103 G 8.36 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.01 4.02 0.00 2.00 1.83 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.49 4.26 0.00 3.30 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 0.00 106 S 8.98 4.36 0.00 4.19 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.25 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 0.00 108 I 7.61 3.70 2.04 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 1.44 0.98 0.95 0.00 0.00 109 A 8.35 4.04 1.44 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 0.00 110 Q 9.04 4.09 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 111 G 8.38 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 0.00 112 K 7.99 3.96 0.00 2.09 1.90 0.00 1.71 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 1.58 7.81 113 V 7.76 3.59 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 1.18 0.00 0.00 1.00 0.00 0.00 114 A 8.55 3.98 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 0.00 115 A 8.26 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 0.00 116 A 8.13 4.19 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 0.00 117 G 8.37 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.59 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 1.72 0.89 0.98 0.00 0.00 119 Q 8.02 4.09 0.00 2.12 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 2.54 2.55 0.00 120 I 7.64 3.74 2.09 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 1.61 0.89 1.02 0.00 0.00 121 L 7.81 3.91 0.00 1.79 1.98 0.92 0.87 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 7.99 4.14 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 0.00 123 K 7.82 4.41 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.61 7.81 124 K 8.59 4.69 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.52 7.81 125 P 0.00 4.34 0.00 2.22 2.43 0.00 3.71 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 2.08 1.97 0.00 126 E 8.16 4.09 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 1.96 2.15 0.00 127 H 8.40 4.81 0.00 3.31 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 7.79 4.07 1.36 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 0.00 0.00 129 T 7.88 3.81 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 8.09 3.69 0.00 1.92 1.59 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.42 7.81 131 G 8.05 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 7.61 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 1.50 0.69 0.88 0.00 0.00 133 I 7.84 3.65 1.68 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 0.80 0.79 0.00 0.00 134 F 7.66 4.44 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.15 4.21 1.44 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 0.00 136 A 8.47 4.01 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 8.15 4.02 0.00 2.19 2.42 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 3.03 0.00 138 V 7.92 3.98 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 1.18 0.00 0.00 1.04 0.00 0.00 139 E 8.34 3.98 0.00 2.16 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 0.00 2.36 2.48 0.00 140 T 7.23 3.61 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 0.78 0.00 0.00 141 Y 7.31 4.25 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 8.07 4.17 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 0.00 143 I 7.68 3.33 1.91 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 1.26 0.41 0.83 0.00 0.00 144 L 8.32 4.12 0.00 1.72 1.77 1.00 0.71 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 0.00 145 G 8.11 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 0.00 0.00 0.00 146 F 8.70 4.21 0.00 2.82 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 8.28 3.42 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 0.96 0.00 0.00 0.95 0.00 0.00 148 I 7.82 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 1.72 1.01 0.93 0.00 0.00 149 S 8.11 4.50 0.00 4.11 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 0.00 150 F 8.31 3.77 0.00 2.59 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.15 4.03 0.00 1.89 1.71 0.94 0.58 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 0.00 152 L 7.82 3.95 0.00 1.81 1.68 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.96 3.75 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.01 0.00 0.00 154 L 7.49 3.95 0.00 1.70 1.62 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.25 4.69 0.00 2.64 2.70 0.00 0.00 7.15 7.93 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 0.00 156 A 7.24 3.94 0.17 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