NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5650 8.3049 120.3382 54.8818 34.1655 175.2048 2 K 4.4472 8.1257 117.9032 54.1316 33.8704 173.7916 3 F 4.6827 9.5619 123.4244 56.7820 40.9814 174.5023 4 T 4.7356 8.9124 120.1846 61.5782 71.1981 173.5450 5 R 4.5029 8.8089 127.2061 56.6850 30.0456 176.0567 6 V 4.4856 8.4911 120.0558 62.2546 34.2608 174.9825 7 C 4.7027 7.5223 113.2573 58.0191 32.5472 171.9095 8 D 5.2048 8.8216 119.0320 52.6867 42.0564 177.7578 9 R 3.8815 9.0818 121.8513 59.3691 29.4482 178.6109 10 R 4.1841 8.6658 115.8746 57.5662 30.1257 176.9699 11 D 4.5019 8.1106 117.7312 55.4395 41.0571 176.8568 12 V 4.2424 7.1260 118.8920 59.7573 31.7605 173.1575 13 P 4.4564 0.0000 0.0000 61.1810 32.1800 175.7232 14 E 4.3155 8.5849 121.1894 58.2731 29.6837 177.5166 15 G 3.9831 9.2535 114.2149 45.4389 0.0000 172.1978 16 E 4.9243 8.2170 118.4892 54.3359 33.2951 174.4512 17 A 5.1529 8.3705 120.9117 50.3203 22.6937 175.3214 18 L 4.5568 8.4895 120.7336 53.2750 45.8458 174.9947 19 K 4.7211 8.5979 127.4631 55.7132 33.3379 175.9992 20 V 4.7801 8.9404 120.3072 59.6140 35.7102 174.3972 21 E 5.2030 8.5446 120.0967 55.2701 33.0651 174.6367 22 S 3.9974 8.5235 113.9082 58.3046 65.5932 174.8923 23 G 3.9582 9.5881 114.8609 46.5114 0.0000 174.3160 24 G 3.8514 8.3763 105.4696 45.1844 0.0000 173.7255 25 T 4.5347 7.7643 117.3171 61.7147 70.3153 173.3525 26 S 5.2870 8.5046 122.2113 56.8170 65.4789 173.2167 27 V 4.6340 8.9278 124.1082 60.8726 34.7620 173.7659 28 A 4.8443 8.9106 129.4536 50.4275 21.1441 175.6526 29 I 4.7495 8.3059 123.4886 59.4220 39.9497 174.7327 30 F 5.2718 9.4148 125.8351 55.6568 42.3735 174.0411 31 N 5.2279 9.1069 122.0859 52.2751 40.5205 174.0713 32 V 4.4666 9.1076 128.0741 61.8549 32.2145 175.1944 33 D 4.3347 10.0172 128.9034 55.3467 38.3169 175.1501 34 G 4.0338 8.9655 107.1838 44.8681 0.0000 173.8156 35 E 4.7387 8.1725 119.1818 54.4453 32.7072 174.9847 36 L 5.1103 8.0781 122.2623 53.4317 43.8455 175.9754 37 F 4.9197 9.2596 120.2518 55.6287 43.4212 173.5644 38 A 5.5319 8.8772 123.9496 50.5067 22.0125 175.1768 39 T 5.3765 9.0065 111.3227 59.4851 73.1461 173.1812 40 Q 4.4131 8.9589 120.5731 56.7442 28.7613 176.4757 41 D 4.5038 8.9100 121.4103 57.1538 42.4630 176.4227 42 R 4.8333 7.8856 116.5379 55.2759 30.9873 176.4316 43 C 4.3472 9.0577 123.9172 59.9826 32.4719 174.5899 44 T 4.1593 8.8202 113.5677 63.4854 68.9028 174.4718 45 H 4.7195 8.2108 120.7767 55.4394 30.3071 174.0144 46 G 4.0692 7.0440 106.5933 46.2784 0.0000 173.8658 47 D 4.7087 8.5618 120.4422 52.7465 39.5734 173.6506 48 W 5.0779 7.9424 131.4185 55.0264 34.6730 173.1969 49 S 4.6975 8.1830 122.5781 58.4212 61.8048 173.9494 50 L 4.4722 9.2519 128.3716 57.5543 41.6467 178.8896 51 S 4.3062 7.9829 112.3716 61.1732 63.6016 175.5728 52 D 4.4185 8.2232 120.2780 56.7979 41.4565 177.2698 53 G 3.5188 8.2726 106.8311 45.0435 0.0000 174.2163 54 G 3.8774 9.3845 105.4944 45.7487 0.0000 173.8922 55 Y 4.5586 7.9428 118.7006 55.2527 37.9723 172.8143 56 L 5.0510 8.1775 123.5509 52.7645 45.2030 175.3873 57 E 4.5117 8.9484 126.5197 54.9566 32.0554 176.0107 58 G 3.8416 8.3474 118.7974 47.1830 0.0000 172.7366 59 D 4.6804 8.6959 124.0302 52.3562 39.5115 174.6791 60 V 4.8117 7.8077 120.9130 61.5529 33.8007 174.6301 61 V 4.7293 8.6161 128.1384 60.1926 33.7528 174.2620 62 E 5.0939 8.9763 125.1810 54.3990 31.5971 174.8583 63 C 4.6699 9.2778 128.8550 59.4983 32.3572 173.9218 64 S 4.1285 9.2170 120.2609 59.7059 62.9972 175.2295 65 L 3.2321 7.4242 122.5740 57.6801 41.3763 177.0576 66 H 4.7059 7.3171 112.3819 55.3501 29.7954 174.4015 67 M 3.2618 8.1842 116.9845 55.8957 29.9258 177.2614 68 G 3.8149 7.2293 107.0469 46.2619 0.0000 173.2920 69 K 5.2177 8.2328 119.0282 54.5031 36.6907 175.6293 70 F 5.2574 8.9609 120.4668 55.8110 43.9843 173.4131 71 C 4.6237 9.2206 123.1539 59.2754 31.8542 174.8023 72 V 3.6820 8.5958 120.4224 63.6921 31.0675 178.0755 73 R 3.7738 7.8389 119.2865 58.0381 30.1180 177.1593 74 T 4.3733 7.6970 104.7178 60.3522 70.5882 175.1279 75 G 3.9254 8.6874 110.9856 45.2823 0.0000 173.5484 76 K 4.5318 7.7775 119.8254 55.9461 33.4538 176.6788 77 V 3.9485 8.4363 123.5961 63.2624 31.4526 175.7103 78 K 4.4878 8.8123 126.5937 57.1024 34.2000 176.7216 79 S 4.5547 7.2678 114.3697 56.6367 67.4713 172.9494 80 P 4.9801 0.0000 0.0000 60.5498 32.2382 175.4717 81 P 4.0741 0.0000 0.0000 65.1467 31.2517 176.0763 82 P 4.4205 0.0000 0.0000 63.0284 31.6304 176.1622 83 C 4.8397 8.6108 113.3867 57.4474 31.0014 173.4809 84 E 4.6929 8.0500 119.6998 54.2359 31.5961 175.7035 85 A 4.4923 8.4469 125.8581 51.9832 19.2464 177.1408 86 L 4.3325 8.4384 121.1553 54.3848 42.5606 177.5357 87 K 4.2896 9.1932 122.0707 56.3711 33.3729 176.2115 88 I 4.9212 8.2258 116.7650 59.1914 40.7385 174.2881 89 F 5.0074 8.5508 121.2110 54.7698 42.5784 173.5209 90 P 4.6305 0.0000 0.0000 63.0078 32.3384 175.1560 91 I 5.2904 8.4839 123.5797 59.5333 41.0482 174.2467 92 R 4.7607 9.2191 126.9205 54.4103 34.6392 174.0370 93 I 4.8738 8.2320 121.3351 59.6547 40.0304 175.2410 94 E 4.4450 8.9380 126.1680 55.4060 32.7002 176.2280 95 D 4.4961 8.3163 127.4078 55.8831 38.9618 175.5975 96 N 4.7642 8.7846 127.6011 54.0639 39.2278 173.3103 97 D 5.1058 8.0365 120.1501 53.4737 42.7035 175.4222 98 V 4.7453 8.6007 123.0735 61.2223 33.7528 174.3974 99 L 5.4457 9.0615 127.4424 53.0004 45.5287 175.6219 100 V 4.7637 8.9446 121.8285 61.2554 35.4567 174.1080 101 D 4.9184 8.0388 126.9307 51.8798 40.6883 176.8744 102 F 4.3329 8.9584 124.8200 59.5254 39.1959 176.2557 103 E 4.5293 8.5341 118.4808 56.3954 29.5957 175.9697 104 A 4.7240 7.8051 120.1332 51.3401 19.8437 177.1796 105 G 2.7865 8.0014 105.6903 48.1406 0.0000 173.0904 106 Y 4.9393 8.0934 120.3109 55.5797 42.0315 173.3907 107 L 4.6980 8.4023 119.7358 53.1049 43.0538 176.9944 108 A 4.2624 8.4352 125.7455 51.3792 19.1675 175.7854 109 P 4.4657 0.0000 0.0000 63.1428 31.3730 176.5750 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 4.57 0.00 2.04 2.20 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 2.52 2.60 0.00 2 K 8.13 4.45 0.00 1.62 1.69 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 3 F 9.56 4.68 0.00 2.94 3.04 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 4 T 8.91 4.74 4.75 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 1.33 0.00 0.00 5 R 8.81 4.50 0.00 1.87 1.89 0.00 3.38 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 6 V 8.49 4.49 2.17 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 1.07 0.00 0.00 1.00 0.00 0.00 7 C 7.52 4.70 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.82 5.20 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 9.08 3.88 0.00 1.97 2.17 0.00 2.81 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 10 R 8.67 4.18 0.00 1.90 2.02 0.00 3.15 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 11 D 8.11 4.50 0.00 2.78 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 12 V 7.13 4.24 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 0.83 0.00 0.00 0.90 0.00 0.00 13 P 0.00 4.46 0.00 2.23 1.96 0.00 3.67 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 2.11 2.07 0.00 14 E 8.58 4.32 0.00 1.95 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 2.34 2.38 0.00 15 G 9.25 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 16 E 8.22 4.92 0.00 1.99 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 2.39 2.38 0.00 17 A 8.37 5.15 0.94 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 0.00 0.00 18 L 8.49 4.56 0.00 1.63 1.36 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.60 4.72 0.00 1.72 1.62 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.40 7.81 20 V 8.94 4.78 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 0.69 0.00 0.00 0.99 0.00 0.00 21 E 8.54 5.20 0.00 1.97 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 0.00 2.09 2.17 0.00 22 S 8.52 4.00 0.00 2.82 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 23 G 9.59 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 24 G 8.38 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.76 4.53 4.47 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 1.38 0.00 0.00 26 S 8.50 5.29 0.00 3.74 3.72 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 27 V 8.93 4.63 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 0.66 0.00 0.00 -0.25 0.00 0.00 28 A 8.91 4.84 0.98 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 29 I 8.31 4.75 1.74 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 1.13 0.68 0.87 0.00 0.00 30 F 9.41 5.27 0.00 3.15 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 31 N 9.11 5.23 0.00 2.92 2.95 0.00 0.00 6.52 7.24 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 32 V 9.11 4.47 2.33 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 0.94 0.00 0.00 1.03 0.00 0.00 33 D 10.02 4.33 0.00 2.88 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 34 G 8.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.17 4.74 0.00 2.09 1.59 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 2.18 2.28 0.00 36 L 8.08 5.11 0.00 1.38 1.51 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.26 4.92 0.00 3.19 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 38 A 8.88 5.53 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 39 T 9.01 5.38 4.39 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 1.35 0.00 0.00 40 Q 8.96 4.41 0.00 2.19 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 41 D 8.91 4.50 0.00 2.79 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 42 R 7.89 4.83 0.00 1.78 1.90 0.00 3.31 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 43 C 9.06 4.35 0.00 3.26 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 44 T 8.82 4.16 4.34 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 1.25 0.00 0.00 45 H 8.21 4.72 0.00 3.20 3.45 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.04 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 47 D 8.56 4.71 0.00 2.72 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 48 W 7.94 5.08 0.00 3.48 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 49 S 8.18 4.70 0.00 3.79 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 50 L 9.25 4.47 0.00 1.79 2.02 0.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.98 4.31 0.00 3.86 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 52 D 8.22 4.42 0.00 2.54 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 53 G 8.27 3.52 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 0.00 0.00 0.00 54 G 9.38 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 55 Y 7.94 4.56 0.00 3.30 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 56 L 8.18 5.05 0.00 1.72 1.62 0.89 1.18 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 57 E 8.95 4.51 0.00 2.07 1.79 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 2.21 2.27 0.00 58 G 8.35 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 59 D 8.70 4.68 0.00 2.65 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 60 V 7.81 4.81 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.88 0.00 0.00 61 V 8.62 4.73 1.68 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 0.66 0.00 0.00 1.22 0.00 0.00 62 E 8.98 5.09 0.00 1.98 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 2.07 2.24 0.00 63 C 9.28 4.67 0.00 3.25 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 9.22 4.13 0.00 4.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.42 3.23 0.00 0.27 0.77 0.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.32 4.71 0.00 3.14 3.11 0.00 5.97 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.18 3.26 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 68 G 7.23 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 69 K 8.23 5.22 0.00 1.52 1.54 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.47 7.81 70 F 8.96 5.26 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 9.22 4.62 0.00 2.92 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 72 V 8.60 3.68 1.71 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 -0.40 0.00 0.00 0.72 0.00 0.00 73 R 7.84 3.77 0.00 1.57 1.70 0.00 2.98 0.00 0.00 3.02 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 74 T 7.70 4.37 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 75 G 8.69 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 76 K 7.78 4.53 0.00 1.76 1.75 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.55 7.81 77 V 8.44 3.95 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 0.65 0.00 0.00 1.00 0.00 0.00 78 K 8.81 4.49 0.00 1.49 1.74 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.48 7.81 79 S 7.27 4.55 0.00 3.65 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.98 0.00 2.08 1.90 0.00 3.79 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 2.03 1.98 0.00 81 P 0.00 4.07 0.00 1.52 1.81 0.00 3.55 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 82 P 0.00 4.42 0.00 1.88 2.17 0.00 3.45 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 1.75 2.13 0.00 83 C 8.61 4.84 0.00 3.02 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 84 E 8.05 4.69 0.00 2.03 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 2.24 2.31 0.00 85 A 8.45 4.49 1.28 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 0.00 0.00 86 L 8.44 4.33 0.00 1.38 1.48 0.56 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.19 4.29 0.00 1.67 1.34 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 88 I 8.23 4.92 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.36 0.83 0.00 0.00 89 F 8.55 5.01 0.00 2.79 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 90 P 0.00 4.63 0.00 2.03 2.22 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 91 I 8.48 5.29 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.06 0.91 0.00 0.00 92 R 9.22 4.76 0.00 1.43 1.53 0.00 2.87 0.00 0.00 2.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.00 93 I 8.23 4.87 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.90 0.00 0.00 94 E 8.94 4.44 0.00 1.90 1.79 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 2.13 2.14 0.00 95 D 8.32 4.50 0.00 2.83 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.78 4.76 0.00 2.76 2.99 0.00 0.00 6.82 8.08 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 97 D 8.04 5.11 0.00 2.75 2.58 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 98 V 8.60 4.75 2.17 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 1.04 0.00 0.00 0.92 0.00 0.00 99 L 9.06 5.45 0.00 1.68 1.73 0.88 0.56 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 0.00 100 V 8.94 4.76 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.76 0.00 0.00 101 D 8.04 4.92 0.00 1.58 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 0.00 0.00 0.00 0.00 102 F 8.96 4.33 0.00 3.04 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 0.00 103 E 8.53 4.53 0.00 2.11 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 2.34 2.32 0.00 104 A 7.81 4.72 1.28 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 0.00 0.00 105 G 8.00 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 0.00 0.00 0.00 106 Y 8.09 4.94 0.00 3.02 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 0.00 107 L 8.40 4.70 0.00 1.57 1.62 0.93 0.77 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 0.00 108 A 8.44 4.26 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 0.00 109 P 0.00 4.47 0.00 2.08 2.03 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00