NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3782 8.3044 120.3253 55.8448 32.6351 174.8433 2 H 4.4802 8.1807 127.1489 53.7955 28.7642 172.5919 3 L 4.5118 7.2000 120.3013 53.4205 43.5394 177.6333 4 T 4.0360 8.9766 115.6874 60.6275 70.8679 173.4457 5 P 4.1756 0.0000 0.0000 66.0360 30.9315 178.8078 6 E 4.0233 8.0856 115.4572 59.2257 29.5510 178.8328 7 E 3.9631 7.6933 118.8748 58.9292 29.6440 178.9524 8 K 3.9111 8.2828 120.3011 59.2201 32.1944 179.1289 9 S 4.1348 8.2079 114.6474 61.2336 62.9014 176.3731 10 A 4.0238 7.6764 123.8710 54.7126 18.0356 179.8485 11 V 3.2769 7.6255 116.6793 66.4210 31.3952 178.4600 12 T 3.9397 7.4963 113.3317 66.5100 68.4494 176.2475 13 A 4.1788 8.4728 123.1077 55.1846 18.3964 179.5202 14 L 3.7807 7.8097 119.0389 57.9541 41.8792 178.8614 15 W 4.4389 8.8430 128.3281 60.0813 30.3285 178.0740 16 G 3.6903 7.7569 105.2827 47.3374 0.0000 175.0701 17 K 4.3216 8.1037 118.7436 56.2031 32.9057 177.3784 18 V 3.6512 6.7420 119.5214 62.4673 32.0650 176.1064 19 N 4.6232 8.1320 124.9266 51.8570 38.3448 175.3491 20 V 3.5956 8.0006 120.8448 64.1833 31.6575 177.4089 21 D 4.3595 8.1965 117.9740 57.4767 40.7523 178.4046 22 E 3.8655 7.9871 119.0449 59.4509 29.6989 179.0191 23 V 3.5666 8.1471 118.8280 65.7313 31.5474 178.1208 24 G 3.7265 8.3262 105.8035 47.8356 0.0000 175.9443 25 G 3.5877 7.8262 108.5583 47.3785 0.0000 175.7444 26 E 3.9097 8.1346 120.7992 59.0113 29.5002 179.3506 27 A 3.9083 8.2539 121.1716 55.0409 18.6168 179.5004 28 L 3.9638 7.8937 118.9491 58.0851 42.1700 179.2304 29 G 3.6066 8.2115 105.8294 48.1219 0.0000 175.7404 30 R 3.8954 8.1592 121.4193 58.5535 30.0087 178.9179 31 L 3.9869 7.9074 120.0888 58.3431 42.1120 179.2092 32 L 4.1071 7.7671 119.5437 56.6296 41.1992 179.6204 33 V 3.6036 7.1063 117.2037 65.6028 31.8237 177.9688 34 V 3.4777 7.8534 116.8607 64.4292 32.7452 175.6330 35 Y 3.8338 7.1089 116.2735 54.0108 37.8082 174.1164 36 P 4.6804 0.0000 0.0000 64.5115 31.5536 178.4460 37 W 4.3732 8.1054 116.5683 59.5406 28.0955 177.7744 38 T 4.2109 7.8418 110.2631 63.8535 68.2083 175.8440 39 Q 4.5043 8.1408 121.2922 57.6428 28.5183 177.9072 40 R 3.7461 7.5701 117.2340 58.8579 29.2298 177.9500 41 F 4.2225 6.9644 115.2011 57.4388 39.8458 175.7724 42 F 4.5756 7.5660 118.7795 56.6498 39.3289 176.6829 43 E 4.2163 8.2562 118.5823 58.0513 29.8798 177.2842 44 S 4.6546 7.9409 113.0680 58.6631 63.6698 174.6353 45 F 4.6689 8.2998 119.6277 58.4624 40.0197 176.9337 46 G 3.9784 8.0896 106.6771 44.6578 0.0000 174.5592 47 D 4.4831 8.6162 126.2347 54.3722 40.9795 175.5178 48 L 4.8828 8.3476 125.6465 54.3356 43.0275 177.9827 49 S 4.2646 8.1807 116.5259 60.9539 63.1584 174.5468 50 T 4.7377 7.4214 109.7420 58.2263 73.1405 172.7117 51 P 4.2214 0.0000 0.0000 65.9916 31.3165 178.7739 52 D 4.3618 8.0498 116.8733 57.2468 40.6007 178.4403 53 A 4.0167 7.6374 119.9893 55.0182 18.4599 179.7048 54 V 3.6920 7.7967 116.7180 66.4944 31.5688 178.1215 55 M 4.1168 8.3649 117.8809 57.9551 31.9328 178.2198 56 G 4.0049 7.8865 103.0576 43.6537 0.0000 173.2891 57 N 4.3012 7.5763 121.2914 53.0955 39.4227 173.4985 58 P 4.2365 0.0000 0.0000 66.1530 31.1436 178.6047 59 K 3.6456 8.2000 118.1026 58.9227 31.7839 179.5547 60 V 3.6708 7.6533 118.1734 65.7813 31.6724 178.1006 61 K 3.9268 8.0799 118.0827 59.4349 31.7944 179.2459 62 A 3.9877 7.8667 121.0415 55.2901 18.1901 179.2498 63 H 4.2844 8.3873 116.9861 59.2896 29.9223 177.5379 64 G 3.7073 8.5231 108.0754 47.9339 0.0000 175.4757 65 K 3.9706 7.9883 121.6684 58.8627 32.1851 178.8514 66 K 3.9266 7.7825 119.7866 59.4725 32.2378 178.7359 67 V 3.6589 7.9848 118.7692 66.3724 31.4042 178.1247 68 L 4.3553 8.4573 118.6747 57.2582 41.4633 179.8040 69 G 3.6959 8.2283 105.9807 47.9176 0.0000 175.6672 70 A 4.1639 8.2627 123.9433 54.6235 18.5087 179.5073 71 F 4.2588 8.5013 119.2654 61.6848 39.2991 177.5031 72 S 4.2143 8.6582 114.0542 61.8885 63.0025 176.1407 73 D 4.6053 8.2377 121.1826 57.2498 40.4958 179.0694 74 G 3.4817 7.7928 105.8972 47.6426 0.0000 175.4181 75 L 3.8988 7.3010 118.6652 55.9546 41.6273 178.0800 76 A 4.4932 7.3783 119.3456 51.9201 20.1017 176.2482 77 H 4.8862 7.9193 115.4257 54.6533 29.9558 175.4920 78 L 4.1015 8.0989 120.3417 57.5719 41.8780 178.8670 79 D 4.4668 7.9245 117.6069 56.4466 41.7570 176.2386 80 N 4.9806 8.3539 116.7972 51.2607 39.1110 174.5267 81 L 3.9955 7.7952 122.9825 57.5868 42.1712 179.0917 82 K 3.9033 8.0451 117.0597 59.4396 32.1737 179.1487 83 G 3.6694 7.9256 105.8516 48.0421 0.0000 175.6481 84 T 3.6349 7.5807 117.3732 66.1006 68.7664 175.7848 85 F 4.7037 8.4473 117.0495 57.2795 39.1318 177.4904 86 A 4.1559 7.7938 123.2072 55.7136 18.2694 180.3337 87 T 4.0478 7.8815 107.6993 64.7624 68.8258 176.4053 88 L 4.0574 7.9410 122.8523 57.8368 42.2657 178.5098 89 S 4.3899 8.5216 114.9238 60.9743 62.2814 175.9715 90 E 3.8621 8.1642 121.1054 59.2907 29.1167 179.1658 91 L 3.9001 8.0056 120.1440 58.6200 42.1269 178.7127 92 H 4.0974 8.6173 116.4752 59.4691 28.2608 176.7883 93 C 3.5873 7.8135 120.8069 62.0879 31.0222 175.2810 94 D 4.3181 8.4868 122.2680 56.4034 40.6873 177.5261 95 K 4.2849 7.9581 117.2774 57.7865 33.5241 177.6706 96 L 4.0647 7.7272 116.4493 55.3311 42.4338 176.3060 97 H 4.1918 7.7052 113.4084 55.5556 25.9273 175.3763 98 V 3.8247 8.0038 118.4695 60.9347 32.3698 174.8514 99 D 4.3269 8.7829 127.3714 53.9676 41.6165 175.2561 100 P 3.3174 0.0000 0.0000 64.8774 31.1511 178.0673 101 E 3.8962 8.0688 118.0331 59.0860 29.3588 178.3609 102 N 4.2131 7.9331 116.7748 56.3757 38.6537 177.2520 103 F 4.4559 7.3572 118.9921 60.5414 38.9304 177.9512 104 R 4.0654 7.8015 117.4238 58.8662 30.0308 178.7409 105 L 3.7979 8.0114 119.0108 57.6919 41.5835 179.2201 106 L 4.1037 8.1782 120.4346 58.1359 41.9877 179.2746 107 G 3.6654 8.1243 105.0774 47.7422 0.0000 175.5824 108 A 4.0894 8.1223 123.3035 54.8112 18.3381 179.9118 109 V 3.5407 7.9210 116.8187 66.0255 31.5558 177.8801 110 L 3.8458 8.3083 120.5189 58.2204 41.8867 179.0387 111 V 3.5402 7.8820 118.0035 66.3849 31.3771 177.8219 112 C 4.1439 8.0602 116.2989 62.6101 27.8946 176.3251 113 V 3.5088 7.8071 120.0824 66.0118 31.0593 178.1760 114 L 3.8765 7.9100 118.7470 57.4352 41.2931 179.4476 115 A 3.6624 7.2849 120.8057 55.1401 18.1086 178.9264 116 H 4.0554 8.1097 115.9210 59.9112 29.9571 176.9162 117 H 4.0088 8.0454 116.2689 58.6102 28.9590 177.2485 118 F 4.4953 8.5720 117.9441 57.0818 39.4695 177.3353 119 G 3.7914 8.6833 109.0284 45.9560 0.0000 176.8736 120 K 3.8669 8.9472 123.4853 59.0222 32.0363 177.3389 121 E 4.1312 8.2144 118.6359 58.3577 29.9737 177.0114 122 F 4.5811 8.0676 123.3094 56.9499 37.8558 175.4716 123 T 4.1705 7.4218 115.5670 60.1095 71.2742 173.3910 124 P 4.1843 0.0000 0.0000 65.7875 31.2141 177.2722 125 P 4.2820 0.0000 0.0000 65.1814 31.2365 178.8456 126 V 3.5692 7.1791 116.2707 65.4771 31.4173 177.8115 127 Q 3.4802 7.9397 119.6022 59.0054 28.9704 178.0591 128 A 4.0810 7.9877 121.5096 55.0841 18.3125 179.5623 129 A 3.8505 7.7137 119.0927 55.6971 18.4575 179.5390 130 Y 3.9498 8.1165 115.1991 61.1581 37.9039 178.9633 131 Q 4.1144 8.8089 119.5117 59.0368 28.8112 178.9633 132 K 4.0011 7.9460 118.9827 59.3027 31.9392 179.6687 133 V 3.4687 7.6695 118.4763 66.2161 31.4585 178.6480 134 V 3.8072 8.3017 112.2296 64.1954 31.2603 178.5812 135 A 4.0865 8.0390 120.4555 55.0868 18.2851 179.8435 136 G 3.5309 8.2271 104.4341 47.9717 0.0000 176.1031 137 V 3.3768 8.1098 120.8228 65.4867 31.3863 177.9171 138 A 3.9080 8.1833 120.7534 55.3052 17.9928 179.3820 139 N 4.2890 8.1515 113.7958 56.4101 38.7713 177.2419 140 A 4.1492 8.0004 122.2128 55.1088 18.0155 179.6001 141 L 3.8382 8.1465 117.1094 56.6360 41.5595 178.3772 142 A 4.6936 7.6001 119.8470 52.5134 19.2836 178.3224 143 H 4.2787 7.9698 113.9132 58.1379 28.5006 176.2977 144 K 4.3395 7.9299 118.4812 56.2073 32.1180 176.4467 145 Y 4.1981 8.0350 117.7604 58.4329 38.4826 175.5505 146 H 4.4010 8.3619 116.9482 56.3725 28.0235 173.5760 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 8.30 4.38 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 2 H 8.18 4.48 0.00 3.15 3.22 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.20 4.51 0.00 1.56 1.51 0.83 0.83 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 4 T 8.98 4.04 4.18 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 1.15 0.00 0.00 5 P 0.00 4.18 0.00 2.14 2.13 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 6 E 8.09 4.02 0.00 2.13 2.19 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 2.32 2.32 0.00 7 E 7.69 3.96 0.00 2.25 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 2.26 0.00 8 K 8.28 3.91 0.00 1.73 1.94 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 S 8.21 4.13 0.00 4.09 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 0.00 10 A 7.68 4.02 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 11 V 7.63 3.28 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 0.71 0.00 0.00 0.41 0.00 0.00 12 T 7.50 3.94 4.46 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 1.23 0.00 0.00 13 A 8.47 4.18 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 14 L 7.81 3.78 0.00 1.78 1.93 0.34 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.84 4.44 0.00 3.84 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 16 G 7.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.10 4.32 0.00 2.10 2.16 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.65 7.81 18 V 6.74 3.65 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 -0.01 0.00 0.00 0.65 0.00 0.00 19 N 8.13 4.62 0.00 2.71 2.61 0.00 0.00 7.16 7.71 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 20 V 8.00 3.60 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 0.79 0.00 0.00 1.02 0.00 0.00 21 D 8.20 4.36 0.00 2.84 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 22 E 7.99 3.87 0.00 1.98 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 2.29 2.29 0.00 23 V 8.15 3.57 1.90 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 0.90 0.00 0.00 0.67 0.00 0.00 24 G 8.33 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 25 G 7.83 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 26 E 8.13 3.91 0.00 2.21 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 2.48 0.00 27 A 8.25 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.89 3.96 0.00 1.85 1.64 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.21 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 30 R 8.16 3.90 0.00 1.91 1.94 0.00 3.07 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 31 L 7.91 3.99 0.00 1.88 1.85 1.02 0.79 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 32 L 7.77 4.11 0.00 1.87 1.70 0.72 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.11 3.60 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 0.72 0.00 0.00 0.91 0.00 0.00 34 V 7.85 3.48 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 0.01 0.00 0.00 0.78 0.00 0.00 35 Y 7.11 3.83 0.00 2.44 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 36 P 0.00 4.68 0.00 2.32 2.32 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 37 W 8.11 4.37 0.00 3.55 3.49 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 38 T 7.84 4.21 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 1.06 0.00 0.00 39 Q 8.14 4.50 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 40 R 7.57 3.75 0.00 1.58 1.92 0.00 3.04 0.00 0.00 2.83 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 41 F 6.96 4.22 0.00 1.63 2.36 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 42 F 7.57 4.58 0.00 2.87 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 43 E 8.26 4.22 0.00 2.09 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 2.23 2.29 0.00 44 S 7.94 4.65 0.00 4.12 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 45 F 8.30 4.67 0.00 3.20 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 46 G 8.09 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 0.00 0.00 0.00 47 D 8.62 4.48 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 48 L 8.35 4.88 0.00 1.66 1.63 1.01 1.05 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 49 S 8.18 4.26 0.00 3.96 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 50 T 7.42 4.74 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 1.21 0.00 0.00 51 P 0.00 4.22 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 52 D 8.05 4.36 0.00 2.67 2.70 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 53 A 7.64 4.02 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 54 V 7.80 3.69 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 1.02 0.00 0.00 55 M 8.36 4.12 0.00 1.95 2.15 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 2.60 2.85 0.00 56 G 7.89 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 57 N 7.58 4.30 0.00 2.98 2.86 0.00 0.00 6.80 8.39 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 58 P 0.00 4.24 0.00 2.23 2.26 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 59 K 8.20 3.65 0.00 1.46 0.74 0.00 1.73 0.00 0.00 1.31 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.18 1.25 7.81 60 V 7.65 3.67 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 1.04 0.00 0.00 1.06 0.00 0.00 61 K 8.08 3.93 0.00 1.95 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.64 7.81 62 A 7.87 3.99 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 63 H 8.39 4.28 0.00 3.50 3.48 0.00 5.80 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 64 G 8.52 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 65 K 7.99 3.97 0.00 1.88 2.07 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.61 7.81 66 K 7.78 3.93 0.00 2.02 1.96 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.50 7.81 67 V 7.98 3.66 2.19 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 1.03 0.00 0.00 0.93 0.00 0.00 68 L 8.46 4.36 0.00 1.99 1.85 1.08 0.99 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 69 G 8.23 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 70 A 8.26 4.16 1.57 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 71 F 8.50 4.26 0.00 3.24 3.30 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 72 S 8.66 4.21 0.00 4.20 4.30 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 73 D 8.24 4.61 0.00 2.93 2.66 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 74 G 7.79 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 75 L 7.30 3.90 0.00 1.61 1.43 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.38 4.49 1.12 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 0.00 0.00 77 H 7.92 4.89 0.00 3.08 3.13 0.00 5.83 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 78 L 8.10 4.10 0.00 1.50 1.66 0.76 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.92 4.47 0.00 2.62 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 80 N 8.35 4.98 0.00 2.65 2.57 0.00 0.00 7.15 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.80 4.00 0.00 1.75 1.83 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.05 3.90 0.00 1.63 1.60 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.46 7.81 83 G 7.93 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 84 T 7.58 3.63 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 0.47 0.00 0.00 85 F 8.45 4.70 0.00 3.23 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 86 A 7.79 4.16 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 87 T 7.88 4.05 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 1.21 0.00 0.00 88 L 7.94 4.06 0.00 1.94 1.95 1.04 1.09 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 89 S 8.52 4.39 0.00 4.15 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 90 E 8.16 3.86 0.00 2.26 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 2.30 2.46 0.00 91 L 8.01 3.90 0.00 1.88 1.84 0.92 0.85 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 92 H 8.62 4.10 0.00 3.60 3.78 0.00 5.86 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 93 C 7.81 3.59 0.00 1.26 2.48 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 94 D 8.49 4.32 0.00 2.73 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 95 K 7.96 4.28 0.00 1.78 1.78 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.39 7.81 96 L 7.73 4.06 0.00 1.71 1.62 0.67 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.71 4.19 0.00 3.40 3.42 0.00 5.74 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.00 3.82 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 0.13 0.00 0.00 0.34 0.00 0.00 99 D 8.78 4.33 0.00 2.81 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 0.00 100 P 0.00 3.32 0.00 1.92 1.83 0.00 3.38 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 0.00 101 E 8.07 3.90 0.00 2.05 1.90 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 2.32 2.39 0.00 102 N 7.93 4.21 0.00 2.47 2.65 0.00 0.00 6.89 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 0.00 103 F 7.36 4.46 0.00 3.09 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 0.00 104 R 7.80 4.07 0.00 1.84 1.98 0.00 3.12 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 105 L 8.01 3.80 0.00 1.67 1.32 0.63 -0.24 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 0.00 106 L 8.18 4.10 0.00 1.81 1.74 0.93 0.95 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 0.00 107 G 8.12 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 0.00 108 A 8.12 4.09 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 0.00 109 V 7.92 3.54 2.24 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 1.11 0.00 0.00 1.14 0.00 0.00 110 L 8.31 3.85 0.00 1.70 1.80 0.86 0.39 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 0.00 111 V 7.88 3.54 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 1.30 0.00 0.00 1.18 0.00 0.00 112 C 8.06 4.14 0.00 3.19 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 0.00 113 V 7.81 3.51 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 0.82 0.00 0.00 0.93 0.00 0.00 114 L 7.91 3.88 0.00 0.92 1.08 0.60 1.10 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 0.00 115 A 7.28 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.11 4.06 0.00 3.20 3.56 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.05 4.01 0.00 2.82 2.69 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.57 4.50 0.00 3.35 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 0.00 119 G 8.68 3.79 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 0.00 0.00 0.00 120 K 8.95 3.87 0.00 1.77 1.92 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.43 7.81 121 E 8.21 4.13 0.00 2.30 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 0.00 2.39 2.33 0.00 122 F 8.07 4.58 0.00 3.07 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 0.00 123 T 7.42 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 1.27 0.00 0.00 124 P 0.00 4.18 0.00 2.16 2.17 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 125 P 0.00 4.28 0.00 2.11 2.07 0.00 3.46 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.18 3.57 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 0.88 0.00 0.00 0.89 0.00 0.00 127 Q 7.94 3.48 0.00 1.81 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 128 A 7.99 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.71 3.85 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 0.00 130 Y 8.12 3.95 0.00 3.45 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 0.00 131 Q 8.81 4.11 0.00 2.21 2.21 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 2.77 2.62 0.00 132 K 7.95 4.00 0.00 1.98 1.83 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 133 V 7.67 3.47 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 0.92 0.00 0.00 0.74 0.00 0.00 134 V 8.30 3.81 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 1.05 0.00 0.00 1.11 0.00 0.00 135 A 8.04 4.09 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 0.00 136 G 8.23 3.53 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 0.00 137 V 8.11 3.38 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 0.67 0.00 0.00 0.60 0.00 0.00 138 A 8.18 3.91 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 0.00 139 N 8.15 4.29 0.00 2.85 2.90 0.00 0.00 7.04 7.06 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 0.00 140 A 8.00 4.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.15 3.84 0.00 1.03 0.48 -0.03 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.60 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.97 4.28 0.00 3.31 3.68 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.93 4.34 0.00 1.73 1.82 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.86 1.63 7.81 145 Y 8.03 4.20 0.00 3.13 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 0.00 146 H 8.36 4.40 0.00 3.22 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00