NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3265 8.2876 121.4711 55.7551 31.7565 177.8264 3 P 4.1390 0.0000 0.0000 65.0457 31.3102 176.6222 4 A 4.1615 8.7325 121.8732 54.6479 19.3136 178.9879 5 M 4.1620 8.1773 114.4651 56.0082 32.4730 176.0596 6 E 4.4536 7.9678 121.1246 53.3909 29.4962 174.0502 7 P 4.2169 0.0000 0.0000 65.4486 31.5679 177.6154 8 E 4.2379 8.0279 115.6313 57.7948 30.1294 177.5615 9 T 4.1078 8.0450 110.8280 61.3501 70.7631 175.3925 10 L 3.9984 8.4140 122.3284 57.8295 41.6369 179.7442 11 E 3.9897 8.1996 118.0243 59.4697 29.4402 178.9907 12 A 4.0219 8.2081 120.7940 55.1709 18.3609 179.8913 13 R 3.8888 8.3569 116.8350 59.6017 30.2477 179.2591 14 I 3.4484 8.2930 118.6055 63.8980 37.6553 177.6496 15 N 4.3402 7.9918 116.9238 55.9860 38.6212 177.3482 16 R 4.0410 7.8169 119.2350 59.1318 30.1829 178.8399 17 A 4.0316 8.1333 119.3698 54.0850 18.2759 178.0639 18 T 4.0847 7.1797 105.0093 60.6876 69.6723 173.5494 19 N 4.1479 7.6920 121.2711 53.8721 39.0528 173.9613 20 P 4.4219 0.0000 0.0000 65.2160 31.5793 177.2200 21 L 4.3501 8.4563 116.9802 55.6553 42.0151 177.0557 22 N 4.5296 8.1752 117.4525 53.5095 38.7972 175.4824 23 K 4.1802 8.7860 122.5649 58.5801 32.6467 176.3302 24 E 4.8476 7.8083 114.2410 54.4152 32.3597 174.5223 25 L 3.8245 8.6100 119.4221 55.5392 42.2569 178.6921 26 D 4.6563 7.9822 123.6267 52.2820 38.6277 176.4200 27 W 4.2881 8.1426 123.5831 59.3105 29.5775 177.4448 28 A 4.0770 8.1964 120.2689 55.4548 17.9425 179.7378 29 S 4.1750 8.4046 113.6590 61.4404 62.9828 176.9640 30 I 3.6508 7.8367 122.5792 64.6714 36.9464 178.3476 31 N 4.6197 8.7664 117.6536 56.1774 38.2405 177.8259 32 G 3.6707 8.1496 107.1282 48.3858 0.0000 175.6652 33 F 4.0249 8.4012 122.9162 61.4450 39.2606 176.6772 34 C 4.0993 7.9518 114.3320 59.8171 39.5365 175.8823 35 E 3.9656 8.2005 120.1621 59.5381 29.1692 179.1093 36 Q 3.9176 8.1699 119.7799 58.9368 28.8177 177.8842 37 L 3.6585 7.5214 121.4489 57.6692 41.6097 177.6827 38 N 4.7339 7.4466 113.6661 53.2790 38.5282 175.7081 39 E 4.1596 7.9029 120.7594 57.5417 30.4258 176.3917 40 D 4.9164 7.3785 116.5581 51.8610 44.3948 176.7619 41 F 4.2656 8.6032 119.8078 60.6843 39.2088 176.3747 42 E 4.4184 8.2727 117.8397 56.5514 29.8771 178.2671 43 G 3.6147 8.0179 109.0124 46.8728 0.0000 174.0771 44 P 4.3804 0.0000 0.0000 64.7951 31.3423 176.9929 45 P 4.2788 0.0000 0.0000 65.3726 31.2000 178.4965 46 L 3.9837 7.8983 118.7161 57.8735 41.9656 178.7114 47 A 4.2564 8.3093 121.3231 55.6890 18.3283 179.8290 48 T 3.7418 8.0751 108.1829 64.6149 68.4018 176.7855 49 R 3.9655 7.9125 121.3782 59.3631 30.1764 178.5585 50 L 4.0942 8.2589 118.8958 57.7959 41.5940 179.4220 51 L 3.9858 8.5189 119.1469 57.7918 41.3789 179.2809 52 A 4.1272 8.3234 119.6365 55.6378 18.5709 178.9364 53 H 4.2954 8.0721 116.2177 59.4599 30.0901 177.6838 54 K 3.9254 8.1003 120.3290 59.5209 31.6088 179.4528 55 I 3.8404 8.0509 119.6198 63.7393 36.9820 177.3618 56 Q 4.3976 7.3012 116.7125 54.7920 29.0975 175.7784 57 S 4.2261 7.1898 115.5486 57.6174 62.8783 172.8680 58 P 4.2850 0.0000 0.0000 64.6618 31.6076 176.5649 59 Q 4.3135 8.0805 118.3449 54.4919 28.2569 175.7559 60 E 3.9366 9.0617 124.6254 59.4438 29.5388 178.5312 61 W 4.8054 8.3644 127.3772 60.4619 30.6653 177.4166 62 E 3.7539 8.3578 119.1652 59.1671 29.1273 178.6506 63 A 4.1098 7.8804 120.3227 55.1457 18.4905 179.4774 64 I 3.6496 8.3321 118.6146 64.7254 37.1619 178.7415 65 Q 3.5471 7.5256 118.5810 58.6054 28.2759 178.6356 66 A 3.7896 7.7453 121.8436 55.1368 18.3088 179.7352 67 L 4.0285 8.0084 117.5012 58.1218 41.6098 179.8817 68 T 3.9483 7.7939 116.0320 66.3469 68.2237 177.0419 69 V 3.5077 7.7962 120.4737 65.7469 31.5661 177.7869 70 L 4.1550 8.2207 120.3572 58.3413 41.7940 178.4719 71 E 4.3310 8.5152 118.1888 59.7934 29.7210 178.7118 72 T 4.2097 8.3189 115.7160 67.0335 68.6064 176.2379 73 C 4.2781 8.6153 118.7240 60.2431 39.8971 176.1273 74 M 4.2393 8.3245 119.4880 58.1457 31.6043 178.5275 75 K 4.2712 7.8092 117.4795 57.7637 32.6380 177.7498 76 S 4.4465 7.5069 116.3582 58.4012 63.3873 173.7050 77 C 4.5218 8.5210 116.9179 58.4719 29.4230 173.4209 78 G 3.8147 7.5929 110.6843 45.2318 0.0000 175.6202 79 K 3.9166 8.6595 125.7466 59.4259 32.3123 178.9781 80 R 3.8888 7.9561 117.9561 59.4408 30.0729 178.6631 81 F 4.1131 8.0734 119.6896 61.4949 39.4588 176.6017 82 H 3.9163 7.7800 115.1513 59.0465 28.2623 177.5493 83 D 4.4353 8.0124 119.7110 57.2194 40.6539 178.4104 84 E 3.9656 7.6018 118.5448 59.3230 29.6348 179.2693 85 V 3.4451 7.2483 118.3079 65.2029 31.1003 177.3497 86 G 3.9344 7.3576 103.4934 43.9049 0.0000 173.0724 87 K 4.4700 7.0715 120.0145 53.8908 34.5897 177.7275 88 F 4.4621 8.2408 120.5271 60.3762 38.5305 177.7983 89 R 3.9244 8.1526 117.7328 59.2072 30.0771 177.4385 90 F 4.5323 7.9754 119.1928 60.7203 39.9457 177.3391 91 L 3.9586 8.3575 118.9740 58.0633 41.4097 179.3532 92 N 4.3291 8.5564 116.5514 56.2765 38.1789 177.2854 93 E 3.8928 7.7245 119.3574 59.1040 29.7392 178.9917 94 L 4.0518 7.3397 118.7475 57.5656 41.7302 179.2020 95 I 3.7264 7.7232 119.8699 64.3258 36.9395 178.6095 96 K 3.6229 7.9395 119.2857 59.1905 31.2187 179.5787 97 V 3.6124 7.5457 118.3111 65.6209 31.2688 178.1203 98 V 3.9249 7.6220 109.9522 62.6908 32.3607 176.3619 99 S 4.4556 8.3940 117.9770 57.3085 62.0821 173.5915 100 P 4.3796 0.0000 0.0000 65.0797 31.3289 178.5783 101 K 4.0111 7.9993 116.4093 58.0610 33.5578 176.9067 102 Y 4.3745 7.7220 112.5534 58.0769 38.8087 176.0312 103 L 4.4827 5.8619 132.3238 55.4584 43.6327 178.7648 104 G 3.9177 8.5708 109.7082 49.1885 0.0000 175.5756 105 S 4.3667 8.0478 111.4991 59.4217 63.2999 174.5261 106 R 4.6128 8.3072 119.1379 56.0160 31.0513 175.0239 107 T 4.6517 7.4160 115.2428 61.2330 70.9014 175.2108 108 S 4.3430 8.3631 120.1892 58.3492 65.0963 175.1806 109 E 3.9421 8.6438 123.2339 59.1227 29.5834 178.8693 110 K 3.8726 8.0378 119.3708 59.5797 32.3009 178.7918 111 V 3.6081 7.6644 117.8032 65.9899 31.4985 178.1253 112 K 3.9885 8.0525 118.2727 59.6228 31.8167 179.1277 113 N 4.3669 8.6881 117.1867 56.0715 38.3734 177.4021 114 K 3.9212 8.0126 120.7733 59.4700 32.2116 178.9476 115 I 3.6541 7.7105 120.0125 64.4289 37.0294 178.4171 116 L 4.1035 7.9227 119.7785 57.8603 41.4491 179.4705 117 E 3.9538 8.4061 118.6858 59.2811 29.3879 179.4584 118 L 3.3911 7.8146 118.9727 57.4019 41.5967 179.2975 119 L 3.6759 7.5552 119.1454 57.9361 41.7331 178.9176 120 Y 3.1664 7.6887 119.3251 60.5463 38.6526 178.3454 121 S 3.9892 7.8486 114.9312 61.3630 62.7636 176.5210 122 W 4.5175 7.7702 122.5796 59.4754 28.5919 178.6698 123 T 3.7901 7.4979 109.2549 64.1577 68.1301 176.4176 124 V 3.7934 7.0479 119.8999 65.3339 31.9367 177.9097 125 G 3.8141 8.2741 104.1698 46.0194 0.0000 173.7306 126 L 4.8458 7.9848 120.0414 52.3564 42.0057 175.6876 127 P 4.2181 0.0000 0.0000 65.4322 31.9480 178.2565 128 E 4.1200 8.0446 115.8404 58.1836 30.2181 177.3788 129 E 4.3323 8.0629 121.7056 54.5556 28.1439 177.1203 130 V 3.6830 7.6374 115.5617 64.3999 32.0318 178.1586 131 K 4.1545 7.7637 119.0129 58.7043 31.7884 179.2664 132 I 3.8234 7.7474 120.1971 64.2589 36.9329 178.2849 133 A 4.1329 7.9963 121.2272 55.0902 18.3062 179.3004 134 E 3.9928 8.5513 117.0000 59.6024 29.6282 179.4636 135 A 4.2357 8.3861 120.7159 55.3956 18.5392 179.0458 136 Y 4.0675 8.3262 118.0206 61.0994 38.9794 178.3026 137 Q 4.0194 8.5874 119.2366 59.0064 28.7703 178.5331 138 M 4.0051 8.0273 119.0374 58.7116 32.3536 178.2712 139 L 3.9708 7.8198 119.0880 57.6642 41.2212 179.3872 140 K 4.1550 7.6374 120.5991 58.3051 31.8649 178.9995 141 K 4.0888 7.6661 118.1162 58.6957 32.1101 178.2466 142 Q 4.3573 7.9298 115.9749 55.5195 29.0097 176.8007 143 G 3.9633 7.5402 108.0382 45.4310 0.0000 175.0475 144 I 3.7390 7.6691 120.3381 63.6695 37.2054 176.4135 145 V 4.1330 7.5050 120.8007 60.5802 32.4207 175.8083 146 K 4.0697 8.6855 125.4530 56.9720 31.8323 176.6139 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 2 E 8.29 4.33 0.00 2.02 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 2.28 2.31 0.00 3 P 0.00 4.14 0.00 2.49 2.31 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 4 A 8.73 4.16 1.31 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 0.00 0.00 5 M 8.18 4.16 0.00 1.99 2.24 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 2.68 2.47 0.00 6 E 7.97 4.45 0.00 1.98 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 2.20 2.24 0.00 7 P 0.00 4.22 0.00 2.07 2.15 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 8 E 8.03 4.24 0.00 1.94 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 2.28 2.28 0.00 9 T 8.04 4.11 4.41 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 1.32 0.00 0.00 10 L 8.41 4.00 0.00 1.73 1.86 0.73 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.20 3.99 0.00 2.08 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 2.42 2.48 0.00 12 A 8.21 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.36 3.89 0.00 2.24 2.19 0.00 3.11 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 14 I 8.29 3.45 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 1.01 0.00 0.00 15 N 7.99 4.34 0.00 2.90 2.85 0.00 0.00 7.06 7.77 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 16 R 7.82 4.04 0.00 1.95 1.94 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 17 A 8.13 4.03 1.08 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 0.00 0.00 18 T 7.18 4.08 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 0.97 0.00 0.00 19 N 7.69 4.15 0.00 2.96 2.90 0.00 0.00 7.20 7.94 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 20 P 0.00 4.42 0.00 2.13 2.28 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 21 L 8.46 4.35 0.00 1.79 1.76 0.94 0.92 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 22 N 8.18 4.53 0.00 3.10 3.16 0.00 0.00 7.00 7.20 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 23 K 8.79 4.18 0.00 1.78 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 24 E 7.81 4.85 0.00 2.12 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 2.25 2.41 0.00 25 L 8.61 3.82 0.00 1.45 0.80 0.94 0.68 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 26 D 7.98 4.66 0.00 2.65 2.43 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 27 W 8.14 4.29 0.00 3.49 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 28 A 8.20 4.08 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 29 S 8.40 4.17 0.00 3.97 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 30 I 7.84 3.65 2.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 0.92 0.00 0.00 31 N 8.77 4.62 0.00 2.82 2.93 0.00 0.00 7.00 8.14 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 32 G 8.15 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 33 F 8.40 4.02 0.00 3.13 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 34 C 7.95 4.10 0.00 3.12 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 35 E 8.20 3.97 0.00 2.12 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 0.00 2.29 2.53 0.00 36 Q 8.17 3.92 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 37 L 7.52 3.66 0.00 1.40 1.53 0.02 0.18 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 38 N 7.45 4.73 0.00 2.65 2.69 0.00 0.00 7.04 7.46 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 39 E 7.90 4.16 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 40 D 7.38 4.92 0.00 2.67 2.49 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 41 F 8.60 4.27 0.00 3.07 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 42 E 8.27 4.42 0.00 2.03 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 2.43 2.27 0.00 43 G 8.02 3.61 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 44 P 0.00 4.38 0.00 2.20 2.24 0.00 3.81 0.00 0.00 4.00 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 45 P 0.00 4.28 0.00 2.17 2.11 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 46 L 7.90 3.98 0.00 1.92 1.78 0.98 1.40 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 47 A 8.31 4.26 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 48 T 8.08 3.74 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 0.71 0.00 0.00 49 R 7.91 3.97 0.00 2.20 2.11 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 50 L 8.26 4.09 0.00 2.01 1.78 1.07 0.72 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 51 L 8.52 3.99 0.00 2.02 1.94 1.18 0.75 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 52 A 8.32 4.13 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.07 4.30 0.00 3.23 3.49 0.00 5.60 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 54 K 8.10 3.93 0.00 1.90 1.75 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.54 7.81 55 I 8.05 3.84 2.08 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 0.92 0.00 0.00 56 Q 7.30 4.40 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 57 S 7.19 4.23 0.00 3.82 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 58 P 0.00 4.28 0.00 2.09 2.10 0.00 3.71 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 2.03 2.10 0.00 59 Q 8.08 4.31 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 60 E 9.06 3.94 0.00 2.08 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 2.50 2.46 0.00 61 W 8.36 4.81 0.00 3.31 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 62 E 8.36 3.75 0.00 2.05 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 2.20 2.38 0.00 63 A 7.88 4.11 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 64 I 8.33 3.65 2.05 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 1.87 1.07 1.09 0.00 0.00 65 Q 7.53 3.55 0.00 1.52 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 66 A 7.75 3.79 1.31 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 0.00 0.00 67 L 8.01 4.03 0.00 1.89 1.77 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.79 3.95 4.17 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 0.99 0.00 0.00 69 V 7.80 3.51 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 0.73 0.00 0.00 0.67 0.00 0.00 70 L 8.22 4.16 0.00 2.00 2.05 1.09 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.52 4.33 0.00 2.19 2.34 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 2.50 2.53 0.00 72 T 8.32 4.21 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 1.45 0.00 0.00 73 C 8.62 4.28 0.00 2.71 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 0.00 0.00 0.00 74 M 8.32 4.24 0.00 1.95 2.51 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.93 0.00 75 K 7.81 4.27 0.00 2.02 1.95 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.82 7.81 76 S 7.51 4.45 0.00 4.10 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.52 4.52 0.00 3.09 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 78 G 7.59 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 79 K 8.66 3.92 0.00 1.82 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.52 7.81 80 R 7.96 3.89 0.00 1.90 2.00 0.00 3.29 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 81 F 8.07 4.11 0.00 2.99 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 82 H 7.78 3.92 0.00 3.32 3.30 0.00 5.69 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 83 D 8.01 4.44 0.00 2.73 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 84 E 7.60 3.97 0.00 1.77 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 2.44 2.30 0.00 85 V 7.25 3.45 1.32 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 0.50 0.00 0.00 -0.40 0.00 0.00 86 G 7.36 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.07 4.47 0.00 1.87 1.67 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.54 7.81 88 F 8.24 4.46 0.00 3.11 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 89 R 8.15 3.92 0.00 1.86 2.04 0.00 3.26 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 90 F 7.98 4.53 0.00 3.12 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 91 L 8.36 3.96 0.00 1.88 1.86 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.56 4.33 0.00 2.76 2.78 0.00 0.00 6.97 8.52 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 93 E 7.72 3.89 0.00 1.73 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 2.44 2.48 0.00 94 L 7.34 4.05 0.00 1.76 1.67 1.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.72 3.73 1.93 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 1.54 0.94 0.88 0.00 0.00 96 K 7.94 3.62 0.00 1.82 1.71 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.69 1.31 7.81 97 V 7.55 3.61 2.20 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 1.03 0.00 0.00 0.97 0.00 0.00 98 V 7.62 3.92 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 0.83 0.00 0.00 1.02 0.00 0.00 99 S 8.39 4.46 0.00 4.25 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 0.00 100 P 0.00 4.38 0.00 2.16 2.09 0.00 3.61 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 101 K 8.00 4.01 0.00 1.27 1.29 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.39 7.81 102 Y 7.72 4.37 0.00 3.29 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 0.00 103 L 5.86 4.48 0.00 1.86 1.72 0.93 0.95 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 0.00 104 G 8.57 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 0.00 105 S 8.05 4.37 0.00 3.99 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 0.00 106 R 8.31 4.61 0.00 1.85 1.94 0.00 3.13 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 107 T 7.42 4.65 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 108 S 8.36 4.34 0.00 4.06 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 0.00 109 E 8.64 3.94 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 2.38 2.59 0.00 110 K 8.04 3.87 0.00 1.88 1.96 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.54 7.81 111 V 7.66 3.61 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 0.99 0.00 0.00 0.96 0.00 0.00 112 K 8.05 3.99 0.00 1.87 1.85 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.26 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.67 7.81 113 N 8.69 4.37 0.00 2.80 2.87 0.00 0.00 6.67 7.99 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 0.00 114 K 8.01 3.92 0.00 2.04 1.98 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.54 7.81 115 I 7.71 3.65 2.04 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 1.55 0.71 0.92 0.00 0.00 116 L 7.92 4.10 0.00 1.89 1.83 0.93 1.06 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 0.00 117 E 8.41 3.95 0.00 2.11 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 2.31 2.67 0.00 118 L 7.81 3.39 0.00 1.26 0.33 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.56 3.68 0.00 1.87 1.81 1.07 1.02 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 0.00 120 Y 7.69 3.17 0.00 2.82 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 0.00 121 S 7.85 3.99 0.00 4.04 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 0.00 122 W 7.77 4.52 0.00 3.55 3.05 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 0.00 123 T 7.50 3.79 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 1.08 0.00 0.00 124 V 7.05 3.79 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 0.76 0.00 0.00 0.33 0.00 0.00 125 G 8.27 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 0.00 126 L 7.98 4.85 0.00 1.71 1.47 0.52 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.22 0.00 2.02 2.11 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 128 E 8.04 4.12 0.00 1.93 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 2.31 0.00 129 E 8.06 4.33 0.00 2.02 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 0.00 2.20 2.26 0.00 130 V 7.64 3.68 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 131 K 7.76 4.15 0.00 1.59 0.80 0.00 1.74 0.00 0.00 0.78 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.07 1.14 7.81 132 I 7.75 3.82 2.06 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 1.51 0.80 1.16 0.00 0.00 133 A 8.00 4.13 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 0.00 134 E 8.55 3.99 0.00 2.50 2.23 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 2.45 2.70 0.00 135 A 8.39 4.24 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 0.00 136 Y 8.33 4.07 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.59 4.02 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 138 M 8.03 4.01 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 139 L 7.82 3.97 0.00 1.73 1.60 0.97 0.81 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 0.00 140 K 7.64 4.15 0.00 1.52 1.79 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.49 7.81 141 K 7.67 4.09 0.00 1.96 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.73 7.81 142 Q 7.93 4.36 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.63 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 143 G 7.54 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 0.00 0.00 0.00 144 I 7.67 3.74 1.95 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 1.37 0.85 0.90 0.00 0.00 145 V 7.51 4.13 1.75 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 0.78 0.00 0.00 0.63 0.00 0.00 146 K 8.69 4.07 0.00 1.75 1.70 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.42 7.81