NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5268 8.1627 120.3619 55.9765 34.4261 177.1760 2 M 3.9405 8.1831 117.5285 58.0130 32.2583 176.0881 3 D 4.3506 8.4084 117.9481 57.5680 41.7848 177.0863 4 Y 4.1382 7.9418 119.4540 60.7670 38.8702 177.7288 5 L 3.7343 8.3398 120.2481 57.5756 41.3229 179.6249 6 I 3.8168 8.0477 120.2138 64.7472 36.9330 178.6848 7 T 4.0197 7.9082 108.3801 63.9958 68.9612 175.2270 8 Q 4.2783 7.9302 119.2076 54.6202 29.1520 175.4389 9 N 4.1113 7.3606 112.8414 54.2375 36.6232 174.8284 10 G 4.1027 8.6188 99.0443 45.0622 0.0000 174.8956 11 G 3.9030 7.8376 110.3545 47.2455 0.0000 175.3147 12 M 3.9997 8.2387 120.2791 59.1397 31.9956 178.3943 13 V 3.4992 7.5311 111.7489 64.5430 31.6409 178.5662 14 F 4.4146 7.9724 116.7191 60.2319 38.7669 177.7719 15 A 4.1005 8.1161 120.3237 54.9090 18.2640 179.6838 16 V 3.5176 8.0943 117.1897 66.1122 31.5670 178.0382 17 L 4.0231 8.0941 119.8861 57.9614 41.8911 178.7803 18 A 4.1008 8.2148 120.8616 55.5332 18.4611 179.5073 19 M 4.0212 8.1366 116.9543 58.4011 32.0043 178.8622 20 A 3.9909 8.1133 120.8335 55.4589 18.4661 179.7670 21 T 3.9971 8.3762 114.3371 66.8633 68.1452 176.6308 22 A 4.0901 8.1395 122.5322 55.5393 18.4016 179.9062 23 T 3.7888 7.8929 113.8597 66.8669 68.5210 177.0890 24 I 3.4912 8.0385 121.9401 64.5621 37.1732 178.6964 25 F 4.0998 7.7526 118.6080 60.3328 38.7510 178.1028 26 S 4.3044 7.8534 113.9975 61.4113 62.8082 176.8569 27 G 3.5752 8.1250 109.4100 47.4440 0.0000 175.7939 28 I 3.7776 8.1278 122.6784 64.0005 37.1402 178.5743 29 G 3.6778 7.9750 106.4906 48.0574 0.0000 175.9073 30 S 4.6263 8.3652 118.8885 60.7004 62.8534 176.5080 31 A 3.9631 8.3264 123.8718 55.2110 18.0284 179.9259 32 K 4.0154 8.3643 117.1922 59.4674 32.1384 179.9983 33 G 3.5469 8.1572 106.0077 47.8466 0.0000 176.0340 34 V 3.8416 8.4799 121.6271 65.3582 31.4609 178.2488 35 G 3.5872 8.2262 105.5935 48.0968 0.0000 175.1581 36 M 4.1497 8.3481 121.8455 58.6508 32.1798 178.4988 37 T 4.0308 8.0537 115.9234 66.4713 68.5061 176.9719 38 G 3.6557 8.3981 107.9973 47.7873 0.0000 175.6017 39 E 3.9752 8.4462 120.7540 59.2038 29.4900 179.3613 40 A 3.9998 7.9743 120.2010 55.0650 18.4418 179.5894 41 A 3.9620 8.5111 119.6007 55.1044 18.3071 179.7039 42 A 3.9645 8.4699 119.5559 55.2801 18.2506 179.7014 43 A 3.9535 7.7415 118.1000 55.2392 18.7439 179.2657 44 L 4.0617 7.9637 118.8555 58.6948 41.7201 179.3994 45 T 4.1624 8.0352 115.7490 66.4172 68.1008 176.6163 46 T 4.0621 7.6466 111.4494 63.7990 68.6978 175.1056 47 S 4.6093 7.5803 114.5931 58.4619 65.7401 174.3424 48 Q 4.8403 8.6456 118.8593 52.3250 28.6363 174.2352 49 P 4.4558 0.0000 0.0000 64.8126 32.3890 178.9843 50 E 4.1226 8.2274 116.8693 58.1961 29.9204 177.8150 51 K 4.5469 8.0028 119.3281 56.5093 32.5433 177.9739 52 F 4.3388 8.2694 124.1202 61.5149 39.2942 177.3603 53 G 3.4624 8.1393 104.6192 48.0621 0.0000 175.4766 54 Q 3.9684 7.9633 119.9828 58.4011 28.7887 178.4291 55 A 3.9678 7.9716 121.9519 54.9542 18.5042 179.4601 56 L 3.7012 7.7854 119.0676 58.1112 41.8489 179.1722 57 I 3.6226 7.1822 118.2970 64.4654 36.9561 178.0220 58 L 4.0996 7.6633 119.2344 57.8819 41.2048 179.4051 59 Q 3.9645 7.8366 118.5402 59.0750 29.1546 178.0040 60 L 4.1169 7.7343 119.3371 56.8089 41.7428 179.0930 61 L 3.9130 7.4714 119.0033 57.6015 41.9310 177.3273 62 P 5.0469 0.0000 0.0000 62.9562 30.7712 177.8274 63 G 3.8135 8.1759 106.5600 46.1281 0.0000 176.1241 64 T 3.6725 7.3117 111.6646 64.3221 68.7707 176.5798 65 Q 4.1351 8.0283 120.7336 59.1399 28.8131 179.3280 66 G 3.6563 8.3602 106.6276 47.5705 0.0000 175.8243 67 L 4.0117 7.0965 118.0475 57.8114 41.6460 178.9030 68 Y 4.3811 7.8093 117.0086 61.2310 37.7916 179.1455 69 G 4.2519 8.3065 107.8660 47.3345 0.0000 175.4343 70 F 4.1764 8.4593 123.2384 61.0523 39.3461 177.3559 71 V 3.7502 8.3689 117.8853 66.1585 31.4101 177.9917 72 I 3.7820 8.2742 119.3052 64.4538 37.0153 178.1886 73 A 3.9968 8.2476 121.6353 55.2742 18.2541 179.5233 74 F 3.9993 8.2545 119.1517 61.1136 39.1655 177.2182 75 L 3.9426 8.0985 119.6709 57.9308 42.1360 178.7515 76 I 3.5783 7.8273 119.9232 64.1175 36.4912 177.8806 77 F 3.9594 8.0340 121.7410 61.3076 38.9373 176.8466 78 I 3.6435 7.1696 109.6518 62.1395 37.6462 176.0594 79 N 4.7479 7.2038 117.2026 52.9829 38.7915 175.7081 80 L 4.1027 6.9273 118.9788 55.2324 43.0510 176.1646 81 G 4.4469 7.9028 113.8871 45.7236 0.0000 173.0994 82 S 4.1694 7.9436 117.0092 60.7084 63.4328 175.1091 83 D 4.6450 7.9388 118.1468 54.4429 40.9421 175.3556 84 M 4.1396 7.6547 118.6842 55.8808 32.7927 176.1306 85 S 4.3535 8.4901 121.1778 57.8922 65.5217 175.3274 86 V 3.7386 8.2546 121.7029 66.0270 31.2859 178.1530 87 V 3.4938 7.7733 117.5919 66.1906 31.3812 177.6702 88 Q 3.9279 7.9973 118.7603 58.9568 28.8776 178.2705 89 G 3.9391 8.3076 106.7949 48.1254 0.0000 175.7205 90 L 3.9728 8.2760 122.0374 57.2851 41.5257 179.3835 91 N 4.2494 8.1777 116.6770 56.2383 38.5522 177.4139 92 F 4.3129 8.1304 119.1961 60.3938 38.7746 177.4323 93 L 4.1876 8.0220 119.0630 58.2782 42.1251 178.9217 94 G 3.7815 8.4711 105.7148 47.8493 0.0000 175.4612 95 A 4.0969 8.2093 123.2330 54.7777 18.4888 179.6342 96 S 4.2793 8.0983 112.1055 60.8283 63.2791 176.7644 97 L 4.1899 7.7944 123.3817 57.3378 41.3994 177.2346 98 P 4.3696 0.0000 0.0000 65.9486 31.3890 178.5323 99 I 3.8647 8.0596 116.9373 63.7561 37.8970 177.5907 100 A 3.9648 7.9951 121.4666 55.2876 18.2693 179.3236 101 F 4.6087 8.2809 115.5064 59.7907 39.5383 178.6528 102 T 4.2787 8.4738 110.0030 64.5412 68.5736 176.9992 103 G 3.7108 8.4085 108.6489 47.5626 0.0000 175.2219 104 L 3.9880 8.0151 123.2548 58.0802 42.1624 179.1886 105 F 4.2273 8.4004 117.7345 60.4102 38.9210 178.1172 106 S 4.4464 8.7691 114.3479 61.1315 62.8860 176.8320 107 G 3.6277 8.2397 109.5318 47.7282 0.0000 175.8030 108 I 3.7161 7.6152 122.2571 63.9840 37.0362 178.3817 109 A 4.0574 8.1729 121.6051 55.3391 18.2327 179.5112 110 Q 4.0813 8.7410 118.6668 59.1860 29.0486 178.4744 111 G 3.7096 8.2352 106.8868 47.8191 0.0000 175.7959 112 K 4.0002 7.9953 120.2621 59.2252 32.0419 179.7039 113 V 3.6083 7.7200 118.4047 65.8403 31.2596 177.9860 114 A 4.0061 8.2599 119.7633 55.1020 18.4484 179.0822 115 A 4.0748 8.3312 119.2897 55.3331 18.5836 179.7044 116 A 4.0939 8.2022 119.4219 55.2599 18.4264 180.1079 117 G 3.6987 8.3273 104.1811 47.8025 0.0000 175.9195 118 I 3.7882 7.5460 121.8800 64.5182 37.0218 178.4035 119 Q 4.0592 8.0991 118.5414 58.6586 28.3985 178.6707 120 I 3.7261 7.6577 120.6443 64.2907 37.0324 177.8443 121 L 3.8474 7.7123 119.6579 58.1164 41.9204 178.6050 122 A 4.1383 7.9500 119.6532 54.8997 18.4480 178.9668 123 K 4.3583 7.8983 114.8317 57.0139 34.6048 177.5383 124 K 4.7879 8.6311 118.0508 53.6488 32.6113 175.0413 125 P 4.4527 0.0000 0.0000 65.5528 31.7207 179.0969 126 E 4.0725 8.1723 115.1706 58.2916 29.9461 176.8968 127 H 4.7863 8.4961 116.8808 55.5589 29.2595 176.0010 128 A 4.0588 7.8198 124.9462 55.6628 17.9807 180.6526 129 T 3.8014 7.9017 113.8110 66.6758 68.4774 176.6379 130 K 3.7816 8.1652 120.6950 59.2435 32.0669 179.5646 131 G 3.7337 7.8909 106.0332 47.7577 0.0000 175.8184 132 I 3.7347 7.6554 121.6636 64.2203 37.1149 178.4188 133 I 3.6352 7.6532 120.4844 64.3430 36.6952 178.2996 134 F 4.4913 7.6141 117.0738 60.9268 39.0590 177.4188 135 A 4.2142 8.1359 119.4625 55.0458 18.1832 179.5413 136 A 4.0571 8.3816 119.5321 55.3592 18.1653 179.6644 137 M 4.1599 7.8013 116.2192 58.1238 32.1228 178.4872 138 V 4.0825 7.8375 118.0277 65.2180 31.7252 177.3953 139 E 4.0031 8.1337 119.4706 59.4636 29.2484 178.5730 140 T 3.6261 7.8103 115.4036 67.1625 68.4663 175.5719 141 Y 4.1532 7.2482 117.6505 60.5176 37.8276 178.0318 142 A 4.1837 8.0869 121.6695 55.1423 18.5399 179.5525 143 I 3.3551 7.7855 118.3505 64.3950 37.1700 178.6203 144 L 4.0887 8.2022 120.1675 57.7736 41.4780 179.8356 145 G 4.0172 8.0913 106.7961 47.2173 0.0000 175.4512 146 F 4.2408 8.5340 123.4798 61.0205 39.3286 177.3771 147 V 3.3805 8.1178 118.0999 66.0099 31.3438 178.0399 148 I 3.6982 7.7591 119.4748 64.5042 36.8800 178.4933 149 S 4.4161 8.0879 117.2692 60.9177 62.7318 176.5100 150 F 3.7587 8.2770 123.4910 61.3260 38.8761 177.1261 151 L 4.0763 7.9583 117.1427 57.9450 41.5715 179.3257 152 L 4.0952 8.1155 118.9236 57.4674 41.2419 179.6965 153 V 3.6708 7.9946 118.6089 66.0678 31.3178 178.1783 154 L 3.9506 7.4781 116.6225 56.7062 41.4840 177.8463 155 N 4.6428 7.3021 114.4986 53.1057 39.5087 174.2801 156 A 3.8070 7.2136 127.1173 53.0760 18.2420 177.1479 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 8.18 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 8.41 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 3.09 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 8.34 3.73 0.00 1.94 1.74 0.90 0.97 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 8.05 3.82 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 1.30 0.00 0.00 8 Q 7.93 4.28 0.00 1.60 1.91 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 2.32 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 8.62 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 4.00 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.00 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 7.53 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 0.73 0.00 0.00 0.22 0.00 0.00 14 F 7.97 4.41 0.00 3.34 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 4.10 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 8.09 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 0.96 0.00 0.00 17 L 8.09 4.02 0.00 2.00 1.97 1.00 1.32 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 8.21 4.10 1.59 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 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 8.11 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 1.41 0.00 0.00 22 A 8.14 4.09 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 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 1.29 0.00 0.00 24 I 8.04 3.49 1.49 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 0.67 0.18 0.00 0.00 25 F 7.75 4.10 0.00 2.78 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 4.30 0.00 4.17 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 8.13 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 8.13 3.78 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.88 0.00 0.00 29 G 7.97 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 30 S 8.37 4.63 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 8.33 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 8.36 4.02 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 2.97 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 8.48 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 1.00 0.00 0.00 35 G 8.23 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 36 M 8.35 4.15 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 8.05 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 1.26 0.00 0.00 38 G 8.40 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 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 2.51 0.00 40 A 7.97 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 41 A 8.51 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 1.40 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 7.74 3.95 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 44 L 7.96 4.06 0.00 1.81 1.88 0.94 0.91 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 8.04 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 4.06 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 1.29 0.00 0.00 47 S 7.58 4.61 0.00 4.11 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 8.65 4.84 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 4.46 0.00 2.19 2.40 0.00 3.76 0.00 0.00 3.89 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 8.23 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 8.00 4.55 0.00 2.07 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 8.27 4.34 0.00 3.19 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 8.14 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 54 Q 7.96 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 1.37 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 7.79 3.70 0.00 1.14 1.45 0.83 0.91 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 7.18 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 1.83 1.71 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.84 3.96 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 60 L 7.73 4.12 0.00 1.86 1.63 0.85 0.33 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 7.47 3.91 0.00 1.92 1.73 0.93 0.89 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 5.05 0.00 2.18 2.23 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 8.18 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 3.67 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 8.03 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 2.77 2.67 0.00 66 G 8.36 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 7.10 4.01 0.00 1.60 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 4.38 0.00 3.23 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 69 G 8.31 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 0.00 0.00 0.00 70 F 8.46 4.18 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 8.37 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 1.23 0.00 0.00 72 I 8.27 3.78 2.19 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 2.09 1.10 0.99 0.00 0.00 73 A 8.25 4.00 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 74 F 8.25 4.00 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 1.83 1.84 0.79 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.83 3.58 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 1.44 0.64 0.27 0.00 0.00 77 F 8.03 3.96 0.00 3.01 2.85 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 78 I 7.17 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 1.47 0.63 0.43 0.00 0.00 79 N 7.20 4.75 0.00 2.89 2.98 0.00 0.00 6.99 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 80 L 6.93 4.10 0.00 1.47 1.39 0.61 0.62 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 7.90 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 4.11 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 4.64 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 7.65 4.14 0.00 2.18 2.14 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 2.94 2.59 0.00 85 S 8.49 4.35 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 8.25 3.74 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 1.06 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 8.00 3.93 0.00 2.14 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 2.49 2.26 0.00 89 G 8.31 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 8.28 3.97 0.00 1.69 1.57 0.66 -0.23 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 8.18 4.25 0.00 2.68 2.61 0.00 0.00 6.95 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 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 8.02 4.19 0.00 1.95 1.96 1.10 1.29 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 8.47 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 95 A 8.21 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 96 S 8.10 4.28 0.00 4.27 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 0.00 97 L 7.79 4.19 0.00 1.86 1.98 0.98 1.30 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 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 8.06 3.86 2.06 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.46 1.10 0.00 0.00 100 A 8.00 3.96 1.16 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 0.00 0.00 101 F 8.28 4.61 0.00 3.28 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 0.00 102 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 1.41 0.00 0.00 103 G 8.41 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 0.00 104 L 8.02 3.99 0.00 2.05 1.87 0.88 0.81 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 8.40 4.23 0.00 3.44 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 8.77 4.45 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 8.24 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 0.00 108 I 7.62 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 0.93 0.94 0.00 0.00 109 A 8.17 4.06 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 0.00 110 Q 8.74 4.08 0.00 2.30 2.18 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 8.24 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 8.00 4.00 0.00 2.05 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 7.72 3.61 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 1.14 0.00 0.00 1.00 0.00 0.00 114 A 8.26 4.01 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 0.00 115 A 8.33 4.07 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 8.20 4.09 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 0.00 117 G 8.33 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 7.55 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 0.89 0.95 0.00 0.00 119 Q 8.10 4.06 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 3.73 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 0.97 1.00 0.00 0.00 121 L 7.71 3.85 0.00 1.65 1.96 0.96 1.19 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 7.95 4.14 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 0.00 123 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 2.95 0.00 0.00 0.00 0.00 1.50 1.62 7.81 124 K 8.63 4.79 0.00 1.74 1.80 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 4.45 0.00 2.21 2.43 0.00 3.71 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 1.98 2.16 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 7.82 4.06 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 0.00 129 T 7.90 3.80 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 8.17 3.78 0.00 1.87 1.51 0.00 1.67 0.00 0.00 1.61 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 7.89 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 1.99 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 0.66 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 1.33 0.80 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 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 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 0.00 137 M 7.80 4.16 0.00 2.10 2.41 0.00 0.00 0.00 0.00 0.00 2.28 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 7.84 4.08 2.30 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 1.21 0.00 0.00 1.04 0.00 0.00 139 E 8.13 4.00 0.00 2.19 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 7.81 3.63 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 0.74 0.00 0.00 141 Y 7.25 4.15 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 8.09 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 7.79 3.36 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 0.76 0.83 0.00 0.00 144 L 8.20 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 8.09 4.02 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 0.00 0.00 0.00 146 F 8.53 4.24 0.00 2.90 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 8.12 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 1.01 0.00 0.00 0.98 0.00 0.00 148 I 7.76 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 1.74 0.84 0.93 0.00 0.00 149 S 8.09 4.42 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 2.92 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 7.96 4.08 0.00 1.83 1.73 0.93 1.06 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 4.10 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 7.99 3.67 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 1.10 0.00 0.00 1.06 0.00 0.00 154 L 7.48 3.95 0.00 1.74 1.65 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.30 4.64 0.00 2.72 2.72 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 7.21 3.81 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00