NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4670 8.1776 115.2903 57.8582 63.7803 174.4518 3 V 3.3101 8.2815 128.0784 64.7444 30.8509 176.8527 4 Y 3.9793 8.3299 117.3405 60.9059 38.2755 178.9895 5 D 4.5242 8.0582 119.1464 56.9866 41.1234 178.5023 6 A 3.9423 8.1073 121.3350 55.0163 18.2932 179.5483 7 A 3.8721 8.2313 119.1773 55.0050 18.1733 179.5091 8 A 4.0685 7.4507 118.1966 54.7167 18.4954 179.4393 9 Q 4.2451 7.7978 116.0211 57.6777 29.5215 177.0505 10 L 4.1653 7.2897 120.0368 54.2535 39.9589 177.2776 11 T 4.2571 7.8466 114.9542 60.1438 71.6591 175.0462 12 A 3.9542 8.4951 122.2587 55.8293 18.2817 179.6095 13 D 4.3027 8.0019 116.5445 57.3488 40.8951 179.0660 14 V 3.5363 7.3399 118.4839 65.9215 31.4828 178.2261 15 K 3.8378 8.1531 118.3709 59.3509 31.7887 179.2691 16 K 3.9773 8.0366 119.7933 59.5823 32.1119 178.7125 17 D 4.6653 8.1294 119.0146 57.1808 40.6615 178.7439 18 L 3.7934 8.0879 119.6994 57.7830 41.6644 179.7650 19 R 4.0416 8.2030 118.1008 59.4693 29.2917 178.8986 20 D 4.4867 8.6472 119.3489 57.4404 40.8665 179.0479 21 S 3.3498 8.3291 114.8478 60.7668 63.1202 176.3382 22 W 4.3640 8.7074 132.0264 59.9603 30.1888 177.7915 23 K 3.8646 7.8902 119.0907 58.9412 31.6708 178.5182 24 V 3.7598 6.9799 115.2737 65.5019 31.3219 178.1539 25 I 3.6090 7.4338 112.7219 63.3406 37.2467 177.6680 26 G 2.0000 6.9957 106.1276 45.3302 0.0000 175.4156 27 S 4.2345 7.1287 116.1862 59.7562 64.2805 173.8839 28 D 4.6614 7.1336 121.5238 50.9551 41.1822 175.5153 29 K 3.8263 8.0771 123.2688 58.6502 32.4191 178.3143 30 K 4.0313 7.9842 119.4602 59.3753 32.3719 178.8668 31 G 3.7688 8.0919 106.7046 47.6329 0.0000 175.3035 32 N 4.4969 8.3942 119.8433 55.0877 38.4864 178.0361 33 G 3.5560 8.0939 107.5913 47.8642 0.0000 176.0288 34 V 3.5956 7.7733 121.0229 65.3882 31.4982 177.9125 35 A 3.9220 7.8930 120.4270 54.9935 18.1860 179.5618 36 L 3.6791 8.0967 117.7294 58.1956 41.7558 179.7493 37 M 3.5771 7.8429 118.7219 58.4315 31.8846 179.0090 38 T 3.9334 8.0639 110.2882 65.1200 68.7881 176.7493 39 T 3.8319 7.7571 118.6195 65.9510 68.3002 176.5557 40 L 3.6834 7.3150 122.3675 58.2288 41.9780 179.1968 41 F 4.5299 7.7283 117.3801 60.3477 38.5305 177.6831 42 A 4.0569 7.9280 120.0244 55.1057 18.3841 178.9073 43 D 4.5972 8.1771 115.7275 55.3712 42.6811 176.7838 44 N 5.2031 8.2621 115.7172 49.1226 39.3797 174.6197 45 Q 4.3059 8.4732 122.8828 58.6014 28.9857 177.5665 46 E 4.1373 8.3012 117.8124 58.9454 29.6198 178.5730 47 T 4.1366 8.5526 111.0080 64.0151 69.1866 176.5010 48 I 3.8014 7.9326 123.0226 64.5253 36.7917 178.1922 49 G 3.5849 7.4545 105.4050 47.8048 0.0000 174.9390 50 Y 4.2834 8.0163 117.6278 59.4686 38.1659 176.1928 51 F 4.9499 7.9761 118.9682 56.7826 39.9744 178.0215 52 K 3.8860 8.3528 122.9613 59.7129 32.0484 179.2958 53 R 3.9564 8.0632 117.4479 59.2689 29.9982 177.2390 54 L 4.2056 7.9919 116.2787 55.3990 42.6923 179.1035 55 G 3.7897 7.8060 106.3792 46.3278 0.0000 176.0268 56 N 4.5253 8.4651 121.9672 52.7514 38.9580 175.7946 57 V 3.8234 8.0095 121.7981 63.0071 31.6195 177.9655 58 S 4.2998 7.8535 113.4063 60.7768 63.3480 175.6787 59 Q 4.1871 8.0825 121.3193 55.7930 28.8031 177.5194 60 G 3.8421 8.6318 110.3710 46.1610 0.0000 175.8213 61 M 3.8592 9.0680 121.4282 58.4629 31.8045 177.0145 62 A 4.0201 7.7588 119.3036 53.6923 18.8117 177.1987 63 N 4.6388 8.3349 115.6038 52.3402 39.3753 174.8819 64 D 4.3947 8.6877 128.9162 57.6479 41.0616 178.9637 65 K 4.0090 8.1528 118.2125 59.5032 31.9995 179.0217 66 L 4.0760 8.4310 120.5895 58.0297 42.0268 178.9850 67 R 4.0078 8.4759 119.2670 59.3124 30.0871 178.7472 68 G 3.6565 8.5886 106.0834 48.0836 0.0000 175.2233 69 H 4.2797 8.4063 120.7672 59.0103 29.6838 177.5393 70 S 4.1228 8.1890 116.2294 61.7227 62.8639 176.4863 71 I 3.9382 7.9303 122.3811 64.8363 36.7562 178.7279 72 T 4.1004 8.0136 116.4647 66.4481 68.2703 176.4885 73 L 3.9960 8.1133 122.5288 58.4524 42.0958 178.9946 74 M 4.2459 7.9734 118.4896 58.3041 31.9417 177.9776 75 Y 4.0346 7.8157 116.2908 59.9041 38.0751 177.6971 76 A 3.7537 7.7683 122.3416 54.7576 18.4983 179.6288 77 L 3.5247 7.4370 117.0453 57.5350 41.6692 179.1546 78 Q 3.3837 7.7718 119.5284 59.0100 28.7674 177.9031 79 N 4.1786 7.4450 116.2699 56.8253 39.1955 176.4011 80 F 4.5357 7.3742 118.9602 60.6733 38.9494 177.6915 81 I 3.4801 7.5365 119.3814 64.4967 36.6549 178.2537 82 D 4.4855 8.0368 118.0325 56.4721 40.7543 177.6920 83 Q 4.4230 7.5499 117.1889 55.9084 28.7549 177.3634 84 L 3.9887 7.5271 121.0836 57.6047 41.6126 178.1642 85 D 4.3449 8.0428 117.9384 56.0334 41.2653 175.8417 86 N 4.8140 7.8653 117.5041 50.4529 40.4652 172.5009 87 P 4.2217 0.0000 0.0000 66.1039 31.0409 177.9446 88 D 4.3820 8.2058 118.1593 57.2910 40.6819 178.3920 89 D 4.3886 8.0535 119.0031 56.9035 40.9775 178.2879 90 L 3.8997 8.0072 120.9805 58.0963 42.0650 179.2329 91 V 3.3923 7.8742 118.4030 66.1401 31.6065 177.8383 92 C 4.1853 7.8784 114.0411 61.3242 29.4469 176.2319 93 V 3.7721 7.9184 115.0637 63.9433 31.1064 178.6978 94 V 3.5328 7.9368 118.2448 65.9963 31.2188 177.9530 95 E 3.9049 8.2471 118.3744 59.2603 29.0667 179.1596 96 K 3.9315 7.7935 118.3354 59.5401 32.0283 178.2467 97 F 4.3321 8.4880 120.6633 61.3272 39.3369 176.9937 98 A 3.8900 8.4941 120.5863 54.9810 18.1315 179.1698 99 V 3.3967 7.5121 116.4957 67.0219 30.9541 177.9474 100 N 4.2690 7.9834 115.0523 56.7480 38.4936 177.0999 101 H 4.1216 7.5379 114.2252 58.5171 28.7482 177.9361 102 I 3.7689 8.0454 122.7182 64.3439 36.7222 178.3528 103 T 4.0452 7.7202 109.3561 63.8697 68.7436 175.8969 104 R 4.2878 7.2279 118.3115 54.6933 30.9262 176.0389 105 K 3.7493 7.7072 117.2491 57.3908 30.1081 175.9778 106 I 4.0452 7.5747 119.2828 60.0289 37.9095 177.4530 107 S 4.5431 8.4043 120.8564 57.3201 65.6860 174.7899 108 A 4.0365 8.4935 122.9836 55.0249 17.7601 179.8471 109 A 3.9767 7.9156 118.3476 55.3466 18.8903 179.1200 110 E 4.1622 8.1097 116.7339 59.8136 29.6557 179.4438 111 F 4.1020 8.7957 120.9827 61.2536 39.3853 177.1826 112 G 3.8794 8.2984 104.8269 47.0311 0.0000 175.5143 113 K 4.2019 8.2826 120.6866 58.7321 32.0711 178.4710 114 F 3.9546 8.2119 120.7382 60.1158 39.2673 176.6599 115 N 4.5636 8.2761 116.6280 56.3849 38.2590 177.4272 116 G 3.5097 7.7174 106.0490 47.4043 0.0000 173.9914 117 P 4.0627 0.0000 0.0000 64.9446 31.2633 178.7370 118 I 3.4748 7.4008 118.4541 64.1665 36.9770 178.2447 119 K 3.9024 7.9913 120.3201 59.6428 32.0152 178.9512 120 K 3.9415 8.0902 118.6383 59.3119 31.7050 179.6077 121 V 3.5092 7.7130 117.9044 65.7929 31.6699 177.7179 122 L 4.0470 7.9109 118.4825 57.9387 41.5565 179.3488 123 A 4.2876 8.4843 122.2362 54.5989 18.0536 179.6655 124 S 4.2590 8.0074 111.4087 60.3535 63.0876 175.7771 125 K 4.4617 7.9232 121.1339 55.6478 32.2283 175.6175 126 N 4.2068 7.9989 115.9609 54.3214 37.9601 173.6525 127 F 4.5124 8.0763 115.6113 55.1187 40.4201 176.0813 128 G 4.0360 8.6155 114.4893 44.0825 0.0000 172.0390 129 D 4.5115 8.9160 118.6420 57.7036 40.5605 178.7769 130 K 3.8590 8.1321 119.3232 59.8402 31.9891 178.2427 131 Y 4.2085 8.1984 116.5907 60.8572 37.9494 177.7291 132 A 4.1956 8.2879 121.3120 55.4880 18.3058 179.3235 133 N 4.4145 8.6771 114.2316 56.1285 38.7197 177.3164 134 A 4.1145 7.8470 122.4382 55.0873 18.4671 179.8078 135 W 3.8958 8.7580 117.4486 59.6483 29.0552 178.6441 136 A 4.1264 8.2260 121.0468 54.9789 17.5353 179.8279 137 K 3.8956 7.6521 116.4198 59.4291 32.3428 179.0482 138 L 3.9021 7.6945 120.0279 58.2110 42.0685 178.8867 139 V 3.6560 8.1303 118.0890 66.1262 31.4606 177.7940 140 A 4.4294 8.1049 121.7059 54.2986 17.8812 179.8319 141 V 3.4011 7.5375 116.7972 65.9842 31.7785 178.1497 142 V 3.4392 7.3101 117.5186 65.9422 31.3250 177.6411 143 Q 3.8294 8.2178 117.8683 59.0780 28.3830 178.9336 144 A 4.0426 7.7643 119.6069 53.9868 18.4525 178.3474 145 A 4.3619 7.6525 117.4390 52.0622 19.7528 176.9474 146 L 4.0961 7.4600 122.4011 54.7180 41.8275 176.5766 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 S 8.18 4.47 0.00 3.93 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 3 V 8.28 3.31 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 0.00 0.00 0.66 0.00 0.00 4 Y 8.33 3.98 0.00 2.99 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 5 D 8.06 4.52 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 6 A 8.11 3.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.23 3.87 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 8 A 7.45 4.07 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 9 Q 7.80 4.25 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.21 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 10 L 7.29 4.17 0.00 1.61 1.55 0.77 1.21 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 11 T 7.85 4.26 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 1.22 0.00 0.00 12 A 8.50 3.95 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 13 D 8.00 4.30 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 14 V 7.34 3.54 2.14 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 1.00 0.00 0.00 0.88 0.00 0.00 15 K 8.15 3.84 0.00 1.95 1.79 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.62 7.81 16 K 8.04 3.98 0.00 1.87 1.95 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.54 7.81 17 D 8.13 4.67 0.00 2.92 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 18 L 8.09 3.79 0.00 1.67 1.27 0.57 -0.46 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 19 R 8.20 4.04 0.00 2.06 2.05 0.00 3.16 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 1.67 1.88 0.00 20 D 8.65 4.49 0.00 2.91 2.91 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 21 S 8.33 3.35 0.00 3.48 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 22 W 8.71 4.36 0.00 3.80 3.40 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 23 K 7.89 3.86 0.00 1.95 2.02 0.00 1.87 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 24 V 6.98 3.76 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 1.02 0.00 0.00 1.06 0.00 0.00 25 I 7.43 3.61 1.59 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.21 0.60 0.00 0.00 26 G 7.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.13 4.23 0.00 3.87 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 28 D 7.13 4.66 0.00 2.47 2.40 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 29 K 8.08 3.83 0.00 1.75 1.72 0.00 1.26 0.00 0.00 0.72 0.00 0.00 2.30 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.40 7.81 30 K 7.98 4.03 0.00 1.83 1.79 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.52 7.81 31 G 8.09 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.39 4.50 0.00 2.68 2.75 0.00 0.00 7.01 7.59 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 33 G 8.09 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.77 3.60 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 1.08 0.00 0.00 1.01 0.00 0.00 35 A 7.89 3.92 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 36 L 8.10 3.68 0.00 1.88 1.68 1.00 0.82 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 37 M 7.84 3.58 0.00 1.66 1.97 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 38 T 8.06 3.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 39 T 7.76 3.83 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 1.08 0.00 0.00 40 L 7.32 3.68 0.00 1.21 1.21 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.73 4.53 0.00 3.10 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 42 A 7.93 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.18 4.60 0.00 2.68 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 44 N 8.26 5.20 0.00 2.98 2.90 0.00 0.00 6.73 8.45 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 45 Q 8.47 4.31 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 46 E 8.30 4.14 0.00 2.23 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 0.00 2.47 2.38 0.00 47 T 8.55 4.14 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 1.49 0.00 0.00 48 I 7.93 3.80 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.03 0.67 0.00 0.00 49 G 7.45 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.02 4.28 0.00 2.68 2.45 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 51 F 7.98 4.95 0.00 3.17 3.07 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 52 K 8.35 3.89 0.00 1.81 1.87 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.68 7.81 53 R 8.06 3.96 0.00 1.79 2.03 0.00 3.26 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 54 L 7.99 4.21 0.00 1.84 1.77 1.03 0.87 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 55 G 7.81 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 56 N 8.47 4.53 0.00 2.83 2.73 0.00 0.00 6.95 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 57 V 8.01 3.82 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 0.65 0.00 0.00 0.42 0.00 0.00 58 S 7.85 4.30 0.00 4.00 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 59 Q 8.08 4.19 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.74 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 60 G 8.63 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 0.00 0.00 0.00 61 M 9.07 3.86 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 62 A 7.76 4.02 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 63 N 8.33 4.64 0.00 2.78 2.89 0.00 0.00 7.03 8.81 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 64 D 8.69 4.39 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.15 4.01 0.00 2.01 1.92 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.53 7.81 66 L 8.43 4.08 0.00 1.83 1.87 1.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.48 4.01 0.00 2.07 2.05 0.00 3.17 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 68 G 8.59 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.41 4.28 0.00 3.39 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.19 4.12 0.00 4.06 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.93 3.94 1.97 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 1.58 1.49 1.15 0.00 0.00 72 T 8.01 4.10 4.42 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 1.28 0.00 0.00 73 L 8.11 4.00 0.00 1.73 1.86 0.88 0.85 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 74 M 7.97 4.25 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.94 0.00 75 Y 7.82 4.03 0.00 3.16 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 76 A 7.77 3.75 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.44 3.52 0.00 1.56 1.27 1.02 1.06 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 78 Q 7.77 3.38 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 79 N 7.45 4.18 0.00 2.78 2.66 0.00 0.00 7.33 6.78 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 80 F 7.37 4.54 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.54 3.48 1.55 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.04 0.80 0.00 0.00 82 D 8.04 4.49 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.55 4.42 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 84 L 7.53 3.99 0.00 1.55 1.66 0.79 1.16 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 85 D 8.04 4.34 0.00 2.66 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 86 N 7.87 4.81 0.00 2.64 2.74 0.00 0.00 6.83 7.81 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 87 P 0.00 4.22 0.00 2.30 2.28 0.00 3.74 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 2.08 2.06 0.00 88 D 8.21 4.38 0.00 2.96 2.78 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 89 D 8.05 4.39 0.00 2.83 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 90 L 8.01 3.90 0.00 1.89 1.74 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.87 3.39 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 0.66 0.00 0.00 0.85 0.00 0.00 92 C 7.88 4.19 0.00 3.16 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 93 V 7.92 3.77 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.15 0.00 0.00 94 V 7.94 3.53 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 0.85 0.00 0.00 0.38 0.00 0.00 95 E 8.25 3.90 0.00 2.04 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 2.21 2.39 0.00 96 K 7.79 3.93 0.00 1.81 2.18 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.58 7.81 97 F 8.49 4.33 0.00 3.45 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 98 A 8.49 3.89 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 99 V 7.51 3.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 100 N 7.98 4.27 0.00 2.69 2.71 0.00 0.00 6.96 8.16 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 0.00 101 H 7.54 4.12 0.00 3.22 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.05 3.77 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 1.53 1.02 0.89 0.00 0.00 103 T 7.72 4.05 4.21 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 1.21 0.00 0.00 104 R 7.23 4.29 0.00 1.83 1.90 0.00 3.09 0.00 0.00 3.06 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 105 K 7.71 3.75 0.00 1.95 1.91 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.40 7.81 106 I 7.57 4.05 1.95 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 0.94 0.00 0.00 107 S 8.40 4.54 0.00 4.08 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 0.00 108 A 8.49 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.92 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.11 4.16 0.00 2.30 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 2.45 2.58 0.00 111 F 8.80 4.10 0.00 3.29 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 0.00 112 G 8.30 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.28 4.20 0.00 2.00 1.92 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.77 7.81 114 F 8.21 3.95 0.00 3.02 2.90 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 0.00 115 N 8.28 4.56 0.00 3.06 2.91 0.00 0.00 6.72 7.69 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 0.00 116 G 7.72 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.06 0.00 1.35 1.76 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.82 0.00 118 I 7.40 3.47 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.70 0.00 0.00 119 K 7.99 3.90 0.00 1.93 1.98 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 8.09 3.94 0.00 1.88 1.78 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.57 7.81 121 V 7.71 3.51 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 0.69 0.00 0.00 0.81 0.00 0.00 122 L 7.91 4.05 0.00 1.94 1.95 0.95 0.53 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 0.00 123 A 8.48 4.29 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 0.00 124 S 8.01 4.26 0.00 4.03 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 0.00 125 K 7.92 4.46 0.00 2.02 2.04 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.51 7.81 126 N 8.00 4.21 0.00 2.78 2.65 0.00 0.00 6.94 6.59 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 0.00 127 F 8.08 4.51 0.00 3.22 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 0.00 128 G 8.62 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 0.00 0.00 0.00 129 D 8.92 4.51 0.00 2.81 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 0.00 130 K 8.13 3.86 0.00 1.70 1.48 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.51 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.14 1.39 7.81 131 Y 8.20 4.21 0.00 3.50 3.27 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 0.00 132 A 8.29 4.20 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.68 4.41 0.00 2.88 2.92 0.00 0.00 7.03 7.32 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 0.00 134 A 7.85 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 0.00 135 W 8.76 3.90 0.00 3.63 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 0.00 136 A 8.23 4.13 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 0.00 137 K 7.65 3.90 0.00 1.73 1.83 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.79 1.55 7.81 138 L 7.69 3.90 0.00 1.46 1.69 0.60 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.13 3.66 2.37 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 1.33 0.00 0.00 1.21 0.00 0.00 140 A 8.10 4.43 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.54 3.40 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 0.57 0.00 0.00 0.83 0.00 0.00 142 V 7.31 3.44 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 0.38 0.00 0.00 0.48 0.00 0.00 143 Q 8.22 3.83 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 144 A 7.76 4.04 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 0.00 145 A 7.65 4.36 1.20 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 0.00 0.00 146 L 7.46 4.10 0.00 1.71 1.52 0.62 0.68 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