NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1965 8.1627 120.2981 54.6286 32.9900 174.1169 2 K 3.9440 8.5560 128.5833 56.3782 32.4890 174.8067 3 G 4.0242 8.5017 115.4027 44.4458 0.0000 172.2141 4 D 4.4268 8.5199 120.3264 54.4362 41.8909 176.6719 5 K 3.8492 9.2235 126.3871 60.1567 32.1324 178.9899 6 I 3.7888 7.7990 119.0249 64.0966 36.9715 178.4619 7 V 3.7645 7.8974 119.2254 66.3591 31.3721 178.2323 8 I 3.8966 7.8053 118.7973 64.2887 36.8578 178.3645 9 Q 3.9278 7.8745 118.9771 59.2209 28.5222 178.4604 10 H 4.0833 8.1917 117.1086 58.8187 28.7575 177.6896 11 L 4.0072 8.3718 121.1358 58.2152 41.5549 179.5620 12 N 4.3949 8.5657 116.5325 55.9101 37.9499 177.5410 13 K 3.9372 7.9402 121.3033 59.6545 32.3563 179.0888 14 I 3.7948 7.9932 120.1752 64.0732 37.1014 178.1321 15 L 4.0952 8.0670 121.6352 57.8546 41.6972 179.3322 16 G 3.5750 7.8423 105.2962 47.8914 0.0000 175.3232 17 N 4.3374 7.7895 118.9199 56.1285 38.6040 177.3341 18 E 3.9874 8.2252 119.7736 59.4498 29.3818 179.4773 19 L 4.0411 7.7641 118.5266 57.4277 41.5390 179.6397 20 I 3.6820 7.3886 120.0416 64.0225 37.1100 178.0300 21 A 3.2309 7.8283 121.5704 55.0674 18.1650 179.2645 22 I 3.5701 7.5179 118.0254 65.0202 37.2166 178.2955 23 N 4.3422 7.8390 116.7414 56.3311 38.4438 177.3793 24 Q 3.8502 8.2408 121.2453 59.5538 29.1731 178.0037 25 Y 4.5332 8.2576 118.0876 61.0882 37.7207 178.2288 26 F 3.8833 8.5165 121.8254 60.9812 39.4728 177.0617 27 L 4.0029 8.1178 120.1865 58.4924 41.9157 178.6554 28 H 3.9981 8.2521 115.9905 58.5741 28.5480 177.6491 29 A 4.1596 8.1528 122.7606 55.3639 18.2134 179.8938 30 R 3.8374 7.6116 116.2232 58.9915 30.1204 179.2610 31 M 3.4796 7.5215 118.9141 58.1262 31.8830 178.1694 32 Y 4.3367 7.7603 117.1717 61.3603 37.9490 178.6428 33 E 3.9956 8.2949 119.3760 59.5432 29.3225 179.0056 34 D 4.3154 7.9950 117.4583 56.7099 41.3243 177.4196 35 W 4.8882 7.7628 116.9352 56.6871 29.5912 177.2339 36 G 4.0350 8.3945 108.6448 45.4444 0.0000 173.8228 37 L 4.7553 7.7680 121.6940 53.1450 40.5115 176.9615 38 E 3.9636 8.2997 122.4669 59.0504 29.3761 178.4425 39 K 3.8844 8.2217 118.6572 59.7575 32.1527 179.3828 40 L 4.0423 7.7959 118.5794 57.3648 41.3389 179.4715 41 G 3.8953 7.8754 107.1194 47.1769 0.0000 175.7191 42 K 3.8703 8.0160 121.4364 59.2007 32.0302 178.9545 43 H 3.7792 7.7798 117.7421 59.2123 29.7490 177.0577 44 E 3.8465 8.3065 120.4669 59.4498 29.3213 178.5396 45 Y 3.9957 8.2448 119.8066 61.2393 38.7616 178.1115 46 H 4.0341 8.2798 117.0860 58.8439 28.8386 177.5153 47 E 3.7741 8.2054 120.9584 58.7790 29.4187 178.8558 48 S 4.2899 7.8668 113.7049 61.4468 62.6356 176.0901 49 I 3.6465 7.4931 122.5750 64.0425 36.7352 177.9657 50 D 4.1658 8.1979 119.3601 57.4869 41.1437 178.0680 51 E 3.9500 8.1479 118.9782 59.8090 29.4050 179.4118 52 M 4.0671 7.8394 118.3257 58.3405 32.0165 178.9767 53 K 4.0531 7.8559 118.2486 59.4435 32.1706 179.2768 54 H 4.2369 8.1951 116.4812 58.7953 28.6034 177.5476 55 A 3.9936 8.0830 122.5411 55.2018 18.2333 178.9286 56 D 4.2861 8.0805 116.4572 57.6979 41.3007 178.8035 57 K 4.0071 8.0157 118.6593 59.4637 32.0286 179.3821 58 L 4.0275 7.9760 119.2418 57.8106 41.4646 179.5839 59 I 3.7368 8.1417 120.1553 64.2526 36.9599 178.6922 60 K 3.9760 8.1372 119.2455 59.5176 31.9675 179.3623 61 R 4.0204 7.9556 118.8430 59.5154 29.9791 178.6192 62 I 3.7396 7.9636 119.5241 64.3835 37.1276 178.3488 63 L 4.0114 8.1801 120.0049 57.8997 41.2540 179.4338 64 F 4.4138 8.3254 119.5183 61.1446 39.6019 176.3163 65 L 4.3637 7.9140 117.5485 53.3213 41.8380 176.4884 66 E 3.6353 8.1720 117.3322 57.8363 26.9924 173.5117 67 G 4.1482 8.0130 105.4434 43.5978 0.0000 172.0799 68 L 4.4615 8.1683 119.2521 52.1433 42.1330 175.3422 69 P 4.2004 0.0000 0.0000 63.0751 31.6967 176.2395 70 N 4.7019 9.1740 121.6971 52.2322 37.9888 173.8449 71 L 4.5919 8.1232 121.3948 54.2197 42.5224 177.4639 72 Q 4.1388 8.1415 121.3828 58.3124 29.4814 176.0546 73 E 4.2296 8.1660 116.8054 55.4343 30.2300 175.7574 74 L 4.5436 8.2639 124.4817 52.8275 44.0538 176.3384 75 G 3.8276 8.4785 115.1107 44.4472 0.0000 172.3072 76 K 4.0026 8.3392 120.8423 56.2955 32.5695 176.1906 77 L 4.4261 8.2998 125.9099 53.9112 42.8138 176.8788 78 L 4.4994 8.1420 122.3016 53.1965 41.1744 174.7088 79 I 4.2089 8.0150 123.2481 59.8856 37.7834 176.6721 80 G 4.0044 8.7153 114.6922 45.1583 0.0000 172.4914 81 E 4.6538 9.8295 119.1457 56.9176 31.2470 177.0639 82 H 5.0842 7.7725 112.8667 53.1002 33.0273 174.0469 83 T 4.1861 8.5389 118.8012 67.2579 68.2623 175.9774 84 K 3.7993 8.2456 120.5265 59.7476 32.0765 178.2241 85 E 3.8431 7.6924 118.6393 59.6551 29.6069 178.3666 86 M 4.0670 8.3898 119.1233 58.3476 31.9874 178.6279 87 L 4.1106 8.1581 120.5319 58.1330 42.2455 178.8677 88 E 4.0171 7.9523 118.5375 59.6265 29.4303 179.0889 89 C 4.2719 8.6236 117.2390 62.9581 28.0231 175.9343 90 D 4.8493 8.1148 120.7238 57.0388 40.3682 178.6019 91 L 3.9993 7.8133 120.7084 57.9357 42.1595 178.9865 92 K 3.9504 8.4751 118.9304 59.5365 31.6969 178.9820 93 L 4.0202 8.0752 120.4982 58.2584 41.7154 178.6782 94 E 4.2680 8.2811 119.1333 58.8841 29.3768 178.1727 95 Q 4.1636 7.9527 116.2899 56.9853 29.2821 176.8506 96 A 4.4819 8.0692 120.2256 52.6534 19.4295 178.1872 97 G 3.9907 7.5121 103.9941 44.9852 0.0000 175.9370 98 L 4.0517 7.4233 121.5875 57.2524 41.5212 177.2956 99 P 4.2318 0.0000 0.0000 65.8652 31.2197 177.8664 100 D 4.4139 8.1893 116.7398 57.6141 40.7641 178.9317 101 L 3.9814 7.7834 118.5686 57.9160 41.7266 179.7473 102 K 3.9551 8.0854 118.0512 59.5196 31.9920 179.2730 103 A 4.0147 8.3414 120.9157 55.1201 18.2991 179.6021 104 A 3.7442 8.2157 119.5614 55.1573 18.3863 179.9898 105 I 3.6600 8.3039 118.6397 64.4437 37.2111 178.4685 106 A 4.0144 8.1065 121.6427 55.2424 18.0611 179.0198 107 Y 3.9195 8.0417 117.9698 61.1786 38.9007 178.1322 108 C 3.9544 8.1331 117.5233 62.6294 28.2318 176.1117 109 E 3.9283 7.9403 120.0801 59.4739 28.9768 179.5416 110 S 4.2252 7.5928 111.6631 60.2775 62.9806 175.1572 111 V 3.9503 6.5878 114.2614 60.5864 31.7547 176.4260 112 G 3.1789 7.5106 106.8729 46.2830 0.0000 175.4780 113 D 4.4578 7.2007 121.2448 53.0730 37.6960 176.4014 114 Y 4.2641 7.0783 120.9089 60.6958 38.4287 178.0171 115 A 4.0588 8.0513 121.4037 55.4470 18.6456 179.6148 116 S 4.1327 8.4596 113.6440 61.6813 62.7907 176.9510 117 R 3.9129 7.8500 120.8877 59.6551 29.7512 178.4652 118 E 4.1776 8.3586 119.5430 58.6586 29.1490 179.2261 119 L 4.0027 7.7216 120.2970 58.0601 42.1503 178.9747 120 L 4.0201 7.9839 119.0385 57.4927 41.3668 178.9388 121 E 3.9664 8.8829 119.2212 59.9765 29.5117 179.4002 122 D 4.5192 7.9397 118.3193 57.0709 40.8663 178.9554 123 I 3.6371 7.4370 120.6861 63.8307 37.0196 178.0431 124 L 3.9509 8.3014 121.7493 58.2105 41.5997 178.7734 125 E 3.9564 7.9909 117.9767 59.7308 29.3462 179.4491 126 S 4.1619 7.9471 112.4372 61.3934 62.3775 176.0970 127 E 4.1100 8.3348 121.5142 59.3821 29.2720 178.9291 128 E 4.1830 8.3485 118.0463 58.5084 29.5775 178.8973 129 D 4.3355 7.7531 118.6459 57.5283 41.2915 177.5663 130 H 4.3376 8.1120 118.6438 59.4346 29.8556 177.1556 131 I 3.7074 7.8523 121.6429 64.3985 36.9125 177.8156 132 D 4.3395 8.1974 118.7809 57.2323 41.1016 178.1771 133 W 4.1019 8.2303 128.4084 60.3280 30.7675 177.9531 134 L 3.8471 8.4721 119.1436 57.8733 41.1469 179.2396 135 E 3.8965 8.4885 118.8415 59.8794 29.4409 179.6183 136 T 3.7785 7.9250 115.5703 66.6145 68.3835 176.7562 137 Q 3.6299 7.4598 119.9923 58.7361 28.1177 178.6603 138 L 3.7665 7.5051 119.7921 57.8029 41.7312 179.3805 139 D 4.2925 8.0906 118.9234 57.0930 40.7617 178.4781 140 L 3.9197 7.8387 120.9161 58.1310 42.0015 179.1173 141 I 3.5055 7.3317 119.7938 64.3832 36.7321 178.1662 142 D 4.3272 7.3457 117.9015 57.0261 40.6603 178.8270 143 K 4.1063 7.7509 118.1148 59.1405 32.3732 178.8490 144 I 4.1414 7.6134 110.0578 59.8992 38.8283 175.9834 145 G 3.9942 7.8954 109.9167 46.0273 0.0000 173.8663 146 L 3.9587 8.7504 124.3312 58.3897 41.8966 179.3627 147 E 3.9763 8.1788 117.4852 59.6915 29.6127 179.0465 148 N 4.3532 8.1333 115.8960 56.3478 38.4289 176.6097 149 Y 4.0449 7.9328 120.0540 60.8466 39.1991 178.0431 150 L 4.0046 8.2258 119.8756 57.6513 41.4862 179.2030 151 Q 3.9731 7.8756 118.8471 59.0858 29.0275 178.0566 152 S 4.2827 7.6180 114.4199 60.0404 63.1253 174.7676 153 Q 4.3720 7.4842 119.9447 55.8176 28.8477 177.3935 154 M 4.3160 7.8224 119.0398 56.8927 32.4204 176.0760 155 D 4.5224 7.8467 121.7056 54.3580 41.6807 175.5291 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 4.20 0.00 1.31 1.81 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 2 K 8.56 3.94 0.00 1.82 1.66 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.42 7.81 3 G 8.50 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 4 D 8.52 4.43 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.22 3.85 0.00 1.83 1.87 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.57 7.81 6 I 7.80 3.79 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.11 0.00 0.00 7 V 7.90 3.76 2.35 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 1.12 0.00 0.00 1.18 0.00 0.00 8 I 7.81 3.90 2.01 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 1.63 0.66 0.90 0.00 0.00 9 Q 7.87 3.93 0.00 2.08 1.97 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 2.30 2.34 0.00 10 H 8.19 4.08 0.00 3.36 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.37 4.01 0.00 1.96 1.75 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.57 4.39 0.00 2.88 2.85 0.00 0.00 6.71 6.47 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 13 K 7.94 3.94 0.00 1.88 1.98 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.99 3.79 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.92 0.00 0.00 15 L 8.07 4.10 0.00 1.84 1.92 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.84 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 17 N 7.79 4.34 0.00 2.94 2.89 0.00 0.00 7.10 7.54 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 18 E 8.23 3.99 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 19 L 7.76 4.04 0.00 1.87 1.67 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.39 3.68 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.88 0.00 0.00 21 A 7.83 3.23 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.52 3.57 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.15 0.86 0.00 0.00 23 N 7.84 4.34 0.00 2.71 2.83 0.00 0.00 6.78 7.33 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 24 Q 8.24 3.85 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 25 Y 8.26 4.53 0.00 3.03 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 0.00 26 F 8.52 3.88 0.00 3.43 3.13 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 27 L 8.12 4.00 0.00 1.93 1.76 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.25 4.00 0.00 3.49 3.06 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.15 4.16 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 30 R 7.61 3.84 0.00 1.68 1.89 0.00 3.23 0.00 0.00 3.00 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 31 M 7.52 3.48 0.00 0.93 1.70 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 2.49 2.19 0.00 32 Y 7.76 4.34 0.00 3.15 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 33 E 8.29 4.00 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 34 D 8.00 4.32 0.00 2.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.76 4.89 0.00 3.74 3.08 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 0.00 0.00 0.00 36 G 8.39 4.03 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 0.00 0.00 0.00 37 L 7.77 4.76 0.00 2.20 1.67 1.08 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.30 3.96 0.00 2.14 1.98 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 2.39 2.41 0.00 39 K 8.22 3.88 0.00 1.75 1.95 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.81 7.81 40 L 7.80 4.04 0.00 1.11 0.40 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.88 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 42 K 8.02 3.87 0.00 1.77 1.75 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.55 7.81 43 H 7.78 3.78 0.00 3.07 3.01 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.31 3.85 0.00 2.41 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 2.66 3.12 0.00 45 Y 8.24 4.00 0.00 3.01 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 46 H 8.28 4.03 0.00 3.14 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.21 3.77 0.00 1.85 1.63 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 1.47 2.06 0.00 48 S 7.87 4.29 0.00 4.18 4.04 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 49 I 7.49 3.65 1.84 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 0.96 0.73 0.80 0.00 0.00 50 D 8.20 4.17 0.00 2.88 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.15 3.95 0.00 2.21 1.99 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 2.82 2.63 0.00 52 M 7.84 4.07 0.00 2.06 2.28 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 2.77 2.53 0.00 53 K 7.86 4.05 0.00 1.93 1.84 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.62 7.81 54 H 8.20 4.24 0.00 3.40 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.08 3.99 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 D 8.08 4.29 0.00 2.91 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 57 K 8.02 4.01 0.00 2.08 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.68 7.81 58 L 7.98 4.03 0.00 1.88 1.73 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.14 3.74 2.03 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 1.52 0.86 0.92 0.00 0.00 60 K 8.14 3.98 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.47 1.61 7.81 61 R 7.96 4.02 0.00 2.08 2.12 0.00 3.38 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 I 7.96 3.74 2.04 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 1.54 0.78 0.95 0.00 0.00 63 L 8.18 4.01 0.00 2.08 1.79 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.33 4.41 0.00 2.91 3.35 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 65 L 7.91 4.36 0.00 2.01 1.59 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.17 3.64 0.00 2.04 1.98 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 2.20 2.30 0.00 67 G 8.01 4.15 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 0.00 0.00 0.00 68 L 8.17 4.46 0.00 1.63 1.62 0.91 1.01 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 69 P 0.00 4.20 0.00 2.03 2.00 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 70 N 9.17 4.70 0.00 2.63 2.76 0.00 0.00 7.07 7.82 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 71 L 8.12 4.59 0.00 1.64 1.63 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.14 4.14 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 73 E 8.17 4.23 0.00 2.00 1.85 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 2.31 2.22 0.00 74 L 8.26 4.54 0.00 1.52 1.50 0.89 1.02 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 75 G 8.48 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 76 K 8.34 4.00 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.47 7.81 77 L 8.30 4.43 0.00 1.64 1.55 0.94 0.95 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 78 L 8.14 4.50 0.00 1.67 1.67 0.96 0.87 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 79 I 8.02 4.21 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.95 0.00 0.00 80 G 8.72 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 81 E 9.83 4.65 0.00 2.14 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 0.00 2.34 2.40 0.00 82 H 7.77 5.08 0.00 3.25 3.28 0.00 5.50 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.54 4.19 4.40 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 1.48 0.00 0.00 84 K 8.25 3.80 0.00 1.83 1.88 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.47 7.81 85 E 7.69 3.84 0.00 1.84 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 86 M 8.39 4.07 0.00 1.70 2.27 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.53 0.00 87 L 8.16 4.11 0.00 2.12 1.64 1.11 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.95 4.02 0.00 2.16 1.99 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 2.31 2.53 0.00 89 C 8.62 4.27 0.00 3.04 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 90 D 8.11 4.85 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.81 4.00 0.00 1.90 1.86 0.94 0.42 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 92 K 8.48 3.95 0.00 2.00 1.89 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.76 7.81 93 L 8.08 4.02 0.00 1.98 1.98 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.28 4.27 0.00 2.41 2.06 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 2.40 2.50 0.00 95 Q 7.95 4.16 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 96 A 8.07 4.48 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 97 G 7.51 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 98 L 7.42 4.05 0.00 1.82 1.76 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.23 0.00 2.17 2.13 0.00 3.82 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 2.14 2.21 0.00 100 D 8.19 4.41 0.00 2.91 2.75 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 0.00 101 L 7.78 3.98 0.00 1.90 1.73 0.94 0.80 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 0.00 102 K 8.09 3.96 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 103 A 8.34 4.01 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 0.00 104 A 8.22 3.74 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 0.00 105 I 8.30 3.66 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.31 0.94 0.00 0.00 106 A 8.11 4.01 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 0.00 107 Y 8.04 3.92 0.00 3.03 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 0.00 108 C 8.13 3.95 0.00 3.15 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 0.00 109 E 7.94 3.93 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 110 S 7.59 4.23 0.00 3.91 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 0.00 111 V 6.59 3.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.66 0.00 0.00 112 G 7.51 3.18 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 0.00 113 D 7.20 4.46 0.00 2.62 2.46 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 0.00 114 Y 7.08 4.26 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.05 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 0.00 116 S 8.46 4.13 0.00 4.10 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 0.00 117 R 7.85 3.91 0.00 1.95 2.20 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 118 E 8.36 4.18 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 2.37 2.56 0.00 119 L 7.72 4.00 0.00 1.87 1.85 0.95 1.06 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 0.00 120 L 7.98 4.02 0.00 1.89 1.71 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.88 3.97 0.00 2.16 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 0.00 2.36 2.40 0.00 122 D 7.94 4.52 0.00 2.64 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 0.00 123 I 7.44 3.64 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.76 0.00 0.00 124 L 8.30 3.95 0.00 1.81 1.91 0.94 0.86 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 0.00 125 E 7.99 3.96 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 126 S 7.95 4.16 0.00 3.95 4.08 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 0.00 0.00 0.00 127 E 8.33 4.11 0.00 2.20 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 0.00 2.64 2.53 0.00 128 E 8.35 4.18 0.00 2.07 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 0.00 2.36 2.54 0.00 129 D 7.75 4.34 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.11 4.34 0.00 3.34 3.47 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.85 3.71 2.06 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 1.45 0.65 0.94 0.00 0.00 132 D 8.20 4.34 0.00 3.01 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 0.00 133 W 8.23 4.10 0.00 3.52 3.42 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 0.00 134 L 8.47 3.85 0.00 1.91 1.70 0.73 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.49 3.90 0.00 1.94 1.96 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 2.32 2.68 0.00 136 T 7.92 3.78 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 1.10 0.00 0.00 137 Q 7.46 3.63 0.00 1.74 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.51 3.77 0.00 1.74 1.60 0.87 0.92 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 0.00 139 D 8.09 4.29 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.84 3.92 0.00 1.92 1.55 0.89 0.82 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 0.00 141 I 7.33 3.51 1.80 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.34 0.78 0.00 0.00 142 D 7.35 4.33 0.00 2.79 2.68 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 0.00 143 K 7.75 4.11 0.00 1.74 1.84 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.41 7.81 144 I 7.61 4.14 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.64 0.92 0.00 0.00 145 G 7.90 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 L 8.75 3.96 0.00 1.76 1.71 0.97 0.98 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 0.00 147 E 8.18 3.98 0.00 2.05 1.99 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 2.39 2.41 0.00 148 N 8.13 4.35 0.00 3.06 2.89 0.00 0.00 6.70 7.48 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 0.00 149 Y 7.93 4.04 0.00 2.91 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 0.00 150 L 8.23 4.00 0.00 1.88 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.88 3.97 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 152 S 7.62 4.28 0.00 3.90 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 0.00 153 Q 7.48 4.37 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.83 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 154 M 7.82 4.32 0.00 2.00 2.10 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 2.79 2.52 0.00 155 D 7.85 4.52 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00