NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3765 8.2931 120.3481 55.5529 33.2901 174.3078 2 G 3.8020 7.9390 113.3097 45.3771 0.0000 169.0746 3 A 4.2980 8.6229 120.4012 52.6444 22.4697 172.8197 4 S 3.5309 8.8257 114.8856 58.4819 59.7121 170.9874 5 R 4.2285 8.9790 124.6646 56.0438 30.1886 174.6958 6 L 4.8710 8.4674 126.8729 54.6294 43.6260 174.8403 7 Y 5.1144 9.3386 124.4433 56.3548 42.4875 174.0210 8 T 5.1886 8.8455 109.7840 60.4510 73.0579 173.2595 9 L 4.6734 8.6447 123.2805 54.3907 45.0578 174.0548 10 V 5.0712 8.6961 127.3298 60.0336 34.0411 174.7192 11 L 4.7128 9.4592 125.2320 52.3579 44.6721 177.0741 12 V 4.3412 8.1368 127.9341 61.5695 29.7464 174.1404 13 L 4.4495 7.5848 122.9297 53.6047 43.2598 175.5229 14 Q 4.7173 9.0758 126.0970 53.3792 30.8730 175.6505 15 P 4.7661 0.0000 0.0000 62.4248 30.7635 176.2427 16 Q 5.0028 9.2242 120.2263 57.7155 36.9800 174.6625 17 R 5.3094 7.9301 113.6424 54.7363 33.6389 174.2629 18 V 4.8789 9.1542 118.8180 59.7855 35.3491 174.1972 19 L 4.7703 8.0610 123.7506 53.3719 43.7808 175.4457 20 L 4.7492 8.5960 126.4084 52.8288 45.1828 175.8220 21 G 4.5491 8.5116 110.1329 45.4991 0.0000 172.1948 22 M 5.9168 9.0030 125.3572 52.9556 35.2153 174.8927 23 K 4.6270 8.3513 123.8992 55.9949 33.5323 177.6262 24 K 4.1599 8.1677 122.4131 58.3216 33.3325 177.8298 25 R 4.2552 7.1008 111.6169 55.0814 32.8457 170.9061 26 G 4.0671 8.3361 115.2643 44.6637 0.0000 175.9506 27 F 4.6772 7.6156 116.4276 52.4762 36.6517 174.8866 28 G 3.9715 8.5082 115.4293 46.2774 0.0000 170.6919 29 A 4.1216 7.9100 124.2754 54.6498 16.8905 177.6589 30 G 4.0476 8.6492 109.6455 45.6117 0.0000 171.8206 31 R 4.3997 8.3623 118.5248 53.7980 34.1103 174.7693 32 W 5.8665 8.6133 123.1278 55.1716 31.5789 174.9742 33 N 4.6169 8.4107 117.9360 52.1996 39.3462 173.8475 34 G 3.7646 8.9739 107.4366 46.6020 0.0000 173.4202 35 F 4.8791 8.3448 119.3873 56.0976 39.3294 176.0146 36 G 4.8031 8.5426 110.9315 45.4361 0.0000 171.2191 37 G 4.4771 8.7296 106.5991 44.4901 0.0000 172.6067 38 K 3.8229 8.0478 122.1043 55.4199 34.0640 176.7399 39 V 3.8552 7.8754 123.4348 62.5510 31.6126 175.8379 40 Q 3.9837 9.1167 128.2070 55.9176 29.6252 178.4513 41 E 4.2600 8.2163 118.0792 54.8519 27.1033 177.0850 42 G 4.0879 7.5238 107.3699 46.4302 0.0000 171.0400 43 E 4.7324 7.9706 115.7911 53.7823 33.2571 175.1148 44 T 4.5160 7.9093 108.8182 60.2191 71.8117 175.4288 45 I 3.4949 8.3396 124.1171 64.9333 37.1318 178.1781 46 E 3.7762 8.1399 119.3115 58.9002 29.4818 178.2829 47 D 4.4325 7.7512 119.2687 56.8956 41.0217 178.9351 48 G 3.4834 8.8402 106.7231 47.5908 0.0000 175.7121 49 A 4.1094 8.2043 123.1161 54.5421 18.3891 180.0851 50 R 3.7518 7.6939 116.7021 59.5944 30.1261 179.3871 51 R 3.9135 8.2128 116.6547 59.1254 30.4127 178.5224 52 E 4.1959 8.1448 117.5766 57.9819 29.6289 178.8381 53 L 3.9243 7.5017 120.8324 58.1796 42.2848 178.6468 54 Q 4.2685 7.8675 120.5845 58.3854 28.6532 177.7850 55 E 4.1299 7.3923 117.7707 58.4326 29.6693 178.4712 56 E 4.2435 7.6677 118.4307 58.5497 29.7342 177.8371 57 S 4.4823 6.9711 111.2919 57.4889 63.6359 174.0699 58 G 4.3716 8.2090 103.8974 45.2593 0.0000 172.9217 59 L 4.8011 7.3451 120.1378 53.3179 43.3302 175.6043 60 T 4.6302 8.4766 121.1493 62.2133 70.5924 174.2338 61 V 4.8433 8.1315 118.6725 59.8790 33.1876 175.6965 62 D 4.4499 8.9219 123.9596 55.9724 41.9550 175.9293 63 A 4.3827 7.4471 115.5445 51.2957 20.3844 175.7173 64 L 4.4138 8.1172 122.6371 55.2183 43.5268 176.3027 65 H 4.9866 9.3309 119.4475 54.3852 32.2078 173.0816 66 K 3.3723 8.7684 125.4769 57.2417 32.5271 176.1673 67 V 4.2677 8.5292 115.9073 62.5048 34.7139 175.5943 68 G 4.6100 7.7169 104.7308 45.2232 0.0000 171.1132 69 Q 4.6327 8.6499 117.7100 54.0896 31.9973 175.1189 70 I 4.7081 8.6247 125.6925 59.7089 39.9193 175.1801 71 V 4.8217 8.7766 124.1584 61.0808 35.2496 174.3228 72 F 5.8499 9.4525 123.9927 54.7961 42.3380 173.3456 73 E 5.0278 9.2621 125.0713 54.6446 31.5927 173.9853 74 F 4.7367 8.3650 128.7645 56.5633 41.3216 174.9896 75 V 3.8819 7.5506 126.3758 64.0323 31.6651 175.8106 76 G 4.1357 9.3066 116.2270 44.8965 0.0000 172.7757 77 E 4.8168 7.4748 118.1255 53.6564 31.9630 174.5527 78 P 4.3622 0.0000 0.0000 65.6559 30.4448 176.4287 79 E 4.2074 7.9925 119.0735 56.7455 31.2133 175.6689 80 L 4.9799 8.0038 119.8282 54.4773 46.4783 174.7152 81 M 4.9821 9.0435 120.8222 55.3526 36.2925 174.2052 82 D 4.9663 9.2552 126.2182 52.9686 42.5066 174.9043 83 V 4.8367 8.8686 127.5296 61.5951 33.6993 174.4224 84 H 4.8994 8.9082 125.1680 54.7856 31.1031 174.2089 85 V 4.6048 8.6252 121.6135 61.2866 33.8757 174.6127 86 F 5.2386 9.7165 125.7564 56.0569 43.6003 173.2203 87 C 5.7918 9.6457 121.1411 57.9179 30.9995 173.7827 88 T 4.9029 8.3408 119.9646 61.7148 69.5589 172.7760 89 D 4.6272 8.4255 118.6923 54.4181 46.2658 175.4144 90 S 4.5419 8.0078 118.3926 57.1846 62.6181 173.1727 91 I 5.1177 8.0323 120.7818 59.2688 39.7612 173.8958 92 Q 4.3177 8.6939 118.0566 57.5258 30.3795 179.3118 93 G 4.4841 7.6388 108.5042 45.2407 0.0000 172.1473 94 T 4.7366 8.0042 114.4613 60.9668 72.4022 173.1506 95 P 4.8403 0.0000 0.0000 63.0814 29.5170 178.5108 96 V 3.8763 7.2714 122.8278 61.0580 30.4624 175.7232 97 E 3.8407 7.9940 118.0939 56.9351 29.3524 178.0065 98 S 4.5765 8.0405 119.1709 56.8976 64.9529 174.4047 99 D 4.2937 8.5359 118.6153 56.0799 40.8913 177.0031 100 E 4.3988 7.8278 118.2408 56.4258 31.4429 175.1678 101 M 5.0757 7.2561 116.8737 54.0436 36.3256 175.3385 102 R 4.7336 9.0126 122.5540 55.1340 32.4069 172.4062 103 P 5.2905 0.0000 0.0000 62.8184 33.2481 175.5350 104 C 4.7001 9.2332 121.0360 57.9037 34.9597 172.7000 105 W 4.7680 9.0211 126.9700 56.4019 29.6083 175.3937 106 F 5.4143 9.1932 125.4053 56.1926 42.7165 174.3357 107 Q 5.0114 8.7553 117.3602 55.5757 30.2579 177.1342 108 L 4.3482 8.4238 120.7786 57.0513 40.7561 177.2232 109 D 5.0172 7.9376 117.9843 53.3346 39.6134 176.3845 110 Q 4.3824 7.8779 115.1186 56.3670 30.7768 174.7905 111 I 3.7576 7.9126 120.0776 60.5805 37.4158 174.3226 112 P 4.2657 0.0000 0.0000 61.3877 30.3780 176.3975 113 F 4.3155 7.5713 123.7396 59.7072 39.2432 177.5271 114 K 4.1985 7.9081 119.2491 58.7666 32.2776 176.9689 115 D 5.0286 7.9204 117.1147 54.5827 40.4996 177.2813 116 M 5.3557 7.4109 115.9481 54.3017 34.4598 175.9705 117 W 5.4341 8.6561 115.4657 55.7911 34.0821 173.2370 118 P 4.8029 0.0000 0.0000 62.9529 30.8725 176.3261 119 D 4.8342 8.1247 118.5152 53.5195 41.5134 177.2986 120 D 4.2434 8.1724 121.0814 57.8641 40.6038 179.3125 121 S 4.0107 8.0106 112.5061 61.1710 62.8418 175.6464 122 Y 4.2693 8.4867 119.5682 59.1808 38.3438 176.6019 123 W 4.3321 7.9202 114.7835 56.2272 29.1259 177.8104 124 F 3.2412 7.8109 120.0414 60.1549 37.9281 175.4713 125 P 4.1980 0.0000 0.0000 65.7527 30.9401 178.4131 126 L 4.0824 7.6034 117.7873 58.3209 40.6070 178.9753 127 L 3.9251 7.2544 118.4289 57.8030 41.4139 179.5506 128 L 3.9185 7.6882 117.1537 57.6774 41.6652 178.5231 129 Q 4.1495 7.4656 114.2816 55.8213 29.1186 175.5674 130 K 3.8708 8.0836 116.6647 57.8754 29.5484 175.4483 131 K 4.8161 8.2019 116.1125 54.5908 35.9302 176.4194 132 K 5.5205 8.7503 120.8107 54.5385 34.6266 175.5834 133 F 5.3131 8.6763 117.8451 56.2453 42.1841 172.3722 134 H 4.4002 9.0480 118.6041 54.3801 33.0526 172.1795 135 G 4.7801 7.9947 112.2664 44.3310 0.0000 170.8710 136 Y 5.0490 7.8386 121.9423 55.6454 41.4749 174.1500 137 F 5.4019 9.6325 126.5889 55.6588 42.0750 174.6824 138 K 4.9146 9.5323 126.4082 55.7942 33.6191 175.3215 139 F 5.1433 9.2079 126.1195 55.8627 41.5038 176.3143 140 Q 4.0366 9.1250 122.7688 56.0821 29.3638 176.4200 141 G 4.3993 7.2386 114.8835 46.4847 0.0000 173.2814 142 Q 5.0755 7.4079 124.7288 55.7635 31.7412 174.2213 143 D 4.7274 8.3123 115.0166 54.1892 43.5567 175.9091 144 T 4.3026 7.4940 115.7921 62.1515 70.3844 173.7814 145 I 4.4363 7.8776 125.7108 59.5832 39.0298 175.3736 146 L 4.7352 8.9828 124.2020 54.5998 44.0692 176.2332 147 D 4.7311 7.7924 118.2060 52.9587 44.7881 173.3699 148 Y 4.9637 7.8871 123.0394 55.4038 41.0682 174.3784 149 T 4.6841 8.0340 112.7903 59.7311 72.4291 172.7690 150 L 5.3373 8.5961 122.7528 53.2896 45.4940 175.9800 151 R 4.7019 9.1973 122.7562 54.3572 33.6070 174.6857 152 E 4.8463 9.0678 123.9605 56.4004 30.4765 176.3697 153 V 4.5789 8.7411 116.0965 60.4618 35.5776 173.7649 154 D 4.4838 8.5034 122.7878 55.3003 47.3800 176.5145 155 T 4.5215 7.7666 113.9099 61.8917 70.9122 174.7579 156 V 3.9861 7.9751 120.8048 63.4426 31.9034 174.9881 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 8.29 4.38 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 G 7.94 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 3 A 8.62 4.30 1.23 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 0.00 0.00 0.00 4 S 8.83 3.53 0.00 4.04 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 5 R 8.98 4.23 0.00 1.95 2.07 0.00 3.61 0.00 0.00 3.33 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 6 L 8.47 4.87 0.00 1.76 1.55 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.34 5.11 0.00 2.77 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 0.00 8 T 8.85 5.19 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 9 L 8.64 4.67 0.00 1.62 1.35 0.22 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.70 5.07 2.22 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 1.01 0.00 0.00 1.18 0.00 0.00 11 L 9.46 4.71 0.00 1.75 1.57 0.69 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 12 V 8.14 4.34 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 0.76 0.00 0.00 1.06 0.00 0.00 13 L 7.58 4.45 0.00 1.48 1.45 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 9.08 4.72 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 15 P 0.00 4.77 0.00 2.18 2.14 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 16 Q 9.22 5.00 0.00 1.91 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 17 R 7.93 5.31 0.00 2.13 2.04 0.00 3.05 0.00 0.00 3.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 18 V 9.15 4.88 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 0.88 0.00 0.00 0.91 0.00 0.00 19 L 8.06 4.77 0.00 0.46 1.19 0.57 0.65 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 20 L 8.60 4.75 0.00 1.73 1.78 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.51 4.55 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 22 M 9.00 5.92 0.00 2.17 1.68 0.00 0.00 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.09 0.00 23 K 8.35 4.63 0.00 1.70 1.49 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.45 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.19 7.81 24 K 8.17 4.16 0.00 1.73 1.80 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.33 7.81 25 R 7.10 4.26 0.00 1.81 1.82 0.00 3.18 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 26 G 8.34 4.07 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 0.00 0.00 0.00 27 F 7.62 4.68 0.00 3.20 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 28 G 8.51 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 0.00 0.00 0.00 29 A 7.91 4.12 1.24 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 0.00 0.00 30 G 8.65 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.36 4.40 0.00 1.87 1.90 0.00 3.16 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 32 W 8.61 5.87 0.00 3.33 3.25 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 33 N 8.41 4.62 0.00 2.77 2.93 0.00 0.00 5.97 7.07 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 34 G 8.97 3.76 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 0.00 0.00 0.00 35 F 8.34 4.88 0.00 3.03 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 36 G 8.54 4.80 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 37 G 8.73 4.48 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 38 K 8.05 3.82 0.00 0.90 0.74 0.00 1.39 0.00 0.00 1.51 0.00 0.00 2.57 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.08 1.15 7.81 39 V 7.88 3.86 2.00 0.00 0.00 0.00 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 0.88 0.00 0.00 40 Q 9.12 3.98 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.24 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 41 E 8.22 4.26 0.00 1.91 1.91 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 2.29 2.33 0.00 42 G 7.52 4.09 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 0.00 0.00 0.00 43 E 7.97 4.73 0.00 1.99 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 0.00 2.07 2.19 0.00 44 T 7.91 4.52 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 1.19 0.00 0.00 45 I 8.34 3.49 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.34 0.87 0.00 0.00 46 E 8.14 3.78 0.00 2.08 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 0.00 2.02 1.47 0.00 47 D 7.75 4.43 0.00 3.00 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 48 G 8.84 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 49 A 8.20 4.11 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 50 R 7.69 3.75 0.00 1.90 1.88 0.00 3.02 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 51 R 8.21 3.91 0.00 1.83 1.95 0.00 3.28 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 52 E 8.14 4.20 0.00 2.10 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 2.23 2.50 0.00 53 L 7.50 3.92 0.00 1.93 1.74 0.79 0.93 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 54 Q 7.87 4.27 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 55 E 7.39 4.13 0.00 2.25 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 2.30 2.46 0.00 56 E 7.67 4.24 0.00 1.87 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 2.49 2.88 0.00 57 S 6.97 4.48 0.00 3.65 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.21 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 0.00 0.00 0.00 59 L 7.35 4.80 0.00 1.43 1.59 1.13 0.84 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 60 T 8.48 4.63 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 1.24 0.00 0.00 61 V 8.13 4.84 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 0.62 0.00 0.00 0.85 0.00 0.00 62 D 8.92 4.45 0.00 2.70 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 63 A 7.45 4.38 1.24 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 0.00 0.00 64 L 8.12 4.41 0.00 1.00 1.83 0.44 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 65 H 9.33 4.99 0.00 3.33 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.77 3.37 0.00 1.16 0.74 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.29 7.81 67 V 8.53 4.27 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 0.94 0.00 0.00 1.09 0.00 0.00 68 G 7.72 4.61 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 0.00 69 Q 8.65 4.63 0.00 1.79 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.64 0.00 0.00 0.00 0.00 0.00 1.34 1.89 0.00 70 I 8.62 4.71 1.93 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.87 0.00 0.00 71 V 8.78 4.82 0.67 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 -0.01 0.00 0.00 0.56 0.00 0.00 72 F 9.45 5.85 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.26 5.03 0.00 2.22 1.84 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 2.31 2.40 0.00 74 F 8.36 4.74 0.00 3.25 2.94 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 75 V 7.55 3.88 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 0.77 0.00 0.00 0.83 0.00 0.00 76 G 9.31 4.14 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 0.00 0.00 0.00 77 E 7.47 4.82 0.00 2.04 1.83 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 2.28 2.48 0.00 78 P 0.00 4.36 0.00 2.20 2.20 0.00 3.79 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 2.00 1.96 0.00 79 E 7.99 4.21 0.00 2.06 1.86 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 2.46 2.36 0.00 80 L 8.00 4.98 0.00 1.68 1.89 1.05 1.04 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 81 M 9.04 4.98 0.00 1.77 1.92 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 82 D 9.26 4.97 0.00 2.72 2.63 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 83 V 8.87 4.84 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 0.93 0.00 0.00 0.85 0.00 0.00 84 H 8.91 4.90 0.00 3.24 3.17 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.63 4.60 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 0.71 0.00 0.00 0.36 0.00 0.00 86 F 9.72 5.24 0.00 3.06 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 0.00 87 C 9.65 5.79 0.00 2.88 2.87 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 88 T 8.34 4.90 4.28 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 1.25 0.00 0.00 89 D 8.43 4.63 0.00 2.80 2.71 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 90 S 8.01 4.54 0.00 3.95 3.84 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 91 I 8.03 5.12 1.92 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.30 0.94 0.00 0.00 92 Q 8.69 4.32 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 93 G 7.64 4.48 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 94 T 8.00 4.74 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 1.19 0.00 0.00 95 P 0.00 4.84 0.00 2.10 2.32 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.32 0.00 96 V 7.27 3.88 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 0.77 0.00 0.00 0.95 0.00 0.00 97 E 7.99 3.84 0.00 2.27 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 0.00 2.30 2.35 0.00 98 S 8.04 4.58 0.00 4.13 4.07 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 99 D 8.54 4.29 0.00 2.66 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 0.00 100 E 7.83 4.40 0.00 1.94 1.91 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 2.12 2.16 0.00 101 M 7.26 5.08 0.00 2.30 1.87 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 2.54 2.96 0.00 102 R 9.01 4.73 0.00 1.85 1.87 0.00 3.13 0.00 0.00 3.27 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 103 P 0.00 5.29 0.00 2.35 2.23 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 104 C 9.23 4.70 0.00 3.37 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.02 4.77 0.00 3.04 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 9.19 5.41 0.00 2.78 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 0.00 107 Q 8.76 5.01 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 108 L 8.42 4.35 0.00 1.74 1.93 1.01 1.44 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 0.00 109 D 7.94 5.02 0.00 2.72 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 0.00 110 Q 7.88 4.38 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.82 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 111 I 7.91 3.76 2.44 0.00 0.00 1.27 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 0.65 1.14 0.00 0.00 112 P 0.00 4.27 0.00 2.24 2.04 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 113 F 7.57 4.32 0.00 2.75 2.54 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 0.00 114 K 7.91 4.20 0.00 1.68 1.88 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.50 7.81 115 D 7.92 5.03 0.00 3.29 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 0.00 116 M 7.41 5.36 0.00 2.12 2.44 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.82 0.00 117 W 8.66 5.43 0.00 3.72 3.43 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 0.00 118 P 0.00 4.80 0.00 1.97 2.01 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 119 D 8.12 4.83 0.00 2.59 2.38 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 0.00 120 D 8.17 4.24 0.00 2.91 1.92 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 0.00 121 S 8.01 4.01 0.00 3.64 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 0.00 122 Y 8.49 4.27 0.00 3.30 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 0.00 123 W 7.92 4.33 0.00 3.83 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 0.00 124 F 7.81 3.24 0.00 2.09 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 0.00 0.00 0.00 0.00 125 P 0.00 4.20 0.00 2.05 2.09 0.00 3.34 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 126 L 7.60 4.08 0.00 1.84 1.77 1.12 -0.93 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 0.00 127 L 7.25 3.93 0.00 1.62 1.56 1.09 0.76 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 0.00 128 L 7.69 3.92 0.00 1.59 1.73 1.10 0.90 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 0.00 129 Q 7.47 4.15 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 130 K 8.08 3.87 0.00 1.91 1.95 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 131 K 8.20 4.82 0.00 1.61 1.72 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.52 7.81 132 K 8.75 5.52 0.00 1.93 1.74 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.28 7.81 133 F 8.68 5.31 0.00 3.21 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 0.00 134 H 9.05 4.40 0.00 2.90 2.89 0.00 5.52 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 0.00 135 G 7.99 4.78 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 0.00 136 Y 7.84 5.05 0.00 2.91 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 0.00 137 F 9.63 5.40 0.00 2.88 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 0.00 138 K 9.53 4.91 0.00 1.75 1.66 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.61 1.30 7.81 139 F 9.21 5.14 0.00 2.85 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 0.00 140 Q 9.13 4.04 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 141 G 7.24 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 0.00 0.00 0.00 0.00 142 Q 7.41 5.08 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 143 D 8.31 4.73 0.00 2.61 2.67 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 0.00 144 T 7.49 4.30 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 1.09 0.00 0.00 145 I 7.88 4.44 1.67 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.21 1.03 0.00 0.00 146 L 8.98 4.74 0.00 1.37 1.61 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.79 4.73 0.00 2.67 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.89 4.96 0.00 2.56 2.83 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 0.00 149 T 8.03 4.68 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 1.07 0.00 0.00 150 L 8.60 5.34 0.00 1.74 2.01 1.42 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 151 R 9.20 4.70 0.00 1.63 1.80 0.00 3.32 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 152 E 9.07 4.85 0.00 1.93 1.97 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 2.49 2.44 0.00 153 V 8.74 4.58 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 0.76 0.00 0.00 0.96 0.00 0.00 154 D 8.50 4.48 0.00 2.62 2.65 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 0.00 155 T 7.77 4.52 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 1.22 0.00 0.00 156 V 7.98 3.99 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 0.74 0.00 0.00 0.93 0.00 0.00