NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3656 8.3044 120.3276 55.2818 33.2677 174.8448 2 D 4.5546 8.5719 122.5948 51.8925 41.7484 172.3675 3 I 4.3612 8.2692 126.1808 59.0748 40.2826 174.4531 4 D 4.8441 8.3970 124.5709 51.5537 42.0414 174.9938 5 P 4.2088 0.0000 0.0000 65.6852 31.6960 177.7233 6 Y 4.2767 8.9235 117.2878 59.9599 37.7029 177.6511 7 K 4.5428 8.6042 123.1511 58.7968 32.1751 178.0795 8 E 4.1035 8.0905 114.6685 57.6951 29.4413 176.9663 9 F 4.6940 8.1781 118.0514 57.3145 39.6982 176.1873 10 G 3.9878 8.5741 108.1141 45.5323 0.0000 173.2170 11 A 4.9692 7.6784 122.5795 50.4353 22.0941 175.0582 12 T 5.2076 7.7618 104.7398 59.7585 72.7982 174.8722 13 V 3.4349 9.1288 115.7566 64.4223 31.7185 178.6031 14 E 3.8421 7.9713 118.0138 59.1108 28.8419 178.6809 15 L 4.1859 7.9636 120.4825 58.4874 41.9935 179.1628 16 L 3.9973 7.3613 118.6149 57.7257 41.2314 179.4614 17 S 4.1658 7.4688 113.8400 60.7029 62.7093 176.1789 18 F 4.3857 7.3941 119.6262 59.2448 38.9917 176.1000 19 L 3.5654 7.0986 118.9306 53.3531 41.9869 175.3528 20 P 4.5020 0.0000 0.0000 62.4640 32.0451 177.5970 21 S 4.3830 8.7372 115.0312 61.4592 63.0798 175.3983 22 D 4.6912 8.0278 117.7980 53.9523 39.5456 176.8492 23 F 3.9235 8.2143 123.5089 60.6964 39.4915 175.4077 24 F 4.4078 7.4529 119.1447 55.5447 39.6082 173.9488 25 P 4.5005 0.0000 0.0000 61.9173 32.0786 176.8129 26 S 4.3493 8.3307 114.6740 58.4030 64.8527 175.4093 27 V 3.4131 8.1892 122.0308 66.0128 31.1699 178.2846 28 R 3.9210 7.9089 118.0010 59.6875 29.9740 178.1856 29 D 4.4239 8.1356 118.5508 57.1917 40.6448 178.8022 30 L 4.0592 7.7238 119.4723 57.6401 41.5742 179.4638 31 L 4.0337 8.1170 119.0970 57.6590 41.5105 179.0497 32 D 4.3829 8.2207 118.8844 57.8640 40.7484 179.0695 33 T 3.8308 8.2197 116.0326 66.6427 68.3609 176.5156 34 A 4.1203 8.4320 122.7212 54.9992 18.2192 179.6657 35 A 3.8946 8.1930 119.1047 55.4533 18.3743 179.7987 36 A 3.9168 8.1632 118.1335 54.6286 18.4186 178.9154 37 L 4.0664 7.7732 116.1276 55.6154 42.7929 177.0962 38 Y 4.7882 7.7307 113.3841 56.9670 39.6486 176.9292 39 R 4.0295 8.0188 122.3984 59.9594 29.7082 178.2070 40 D 4.3013 7.9856 116.1346 57.2720 41.4647 177.8416 41 A 4.1772 8.1161 120.7613 55.5215 18.1340 179.3907 42 L 4.0426 8.4060 116.0129 57.8296 41.8351 178.8823 43 E 4.4012 8.0392 115.5598 55.8485 29.9835 176.6050 44 S 4.5366 7.3874 114.4661 56.7284 64.3476 172.2357 45 P 4.5374 0.0000 0.0000 63.0998 31.4575 175.7262 46 E 4.5417 7.2537 118.1143 55.1652 31.1806 176.0006 47 H 4.2682 8.5343 118.8182 57.9951 29.1809 176.4628 48 C 4.1160 8.6725 120.6164 59.6167 26.6140 173.6150 49 S 4.6413 6.9735 111.0929 56.3925 65.7491 175.4440 50 P 4.4124 0.0000 0.0000 65.7803 30.9618 178.7913 51 H 3.9181 8.3101 115.0705 58.8430 28.6094 177.3903 52 H 4.0680 8.0968 118.1043 59.0912 28.7231 177.7001 53 T 3.8732 7.8741 117.1646 66.8603 68.3512 176.4311 54 A 4.0083 8.1055 122.3607 55.0474 18.3669 179.4939 55 L 3.8730 8.0221 119.2538 58.0778 41.9977 179.2455 56 R 3.9619 8.5603 118.4133 59.6169 30.0024 179.1043 57 Q 4.0564 8.0722 117.0924 58.7843 28.6739 178.7018 58 A 4.2822 8.1715 121.9093 55.2380 18.3186 179.6073 59 I 3.8111 7.9985 118.3180 64.8231 37.3856 178.7525 60 L 4.0715 7.8349 119.7312 57.8567 41.4281 179.0517 61 C 4.1423 8.5731 119.0662 62.2760 31.3976 175.5272 62 W 3.8773 8.5361 130.1831 60.0008 30.2976 178.1708 63 G 3.5792 7.9564 105.9584 48.0045 0.0000 175.4188 64 D 4.2902 7.8677 120.9957 56.9283 40.7948 178.9182 65 L 3.7777 7.6623 119.5237 57.8921 41.4252 179.4848 66 M 3.7697 7.4037 118.7991 58.3711 31.7700 178.9548 67 T 3.8198 7.6105 115.8776 66.3621 68.5111 176.5459 68 L 3.9339 7.8925 121.9666 58.2008 42.2283 178.8351 69 A 4.0290 8.3234 121.1302 55.5255 18.2535 179.7977 70 T 3.8643 8.3083 114.7052 66.2610 68.2623 176.8200 71 W 3.9529 8.1633 129.4415 60.4572 31.1691 177.5374 72 V 3.7146 8.5363 118.7669 66.1598 30.7359 177.9830 73 G 3.6757 8.1073 105.2623 48.2469 0.0000 175.6568 74 T 3.9389 7.6895 110.4908 63.3695 68.8712 175.2868 75 N 4.4557 7.1482 117.4851 51.8057 38.9461 174.2266 76 L 4.5997 6.8563 121.4674 52.9614 43.3737 176.5919 77 E 4.0286 8.7202 123.3617 58.3544 30.1884 176.9389 78 D 4.6768 7.8386 118.9398 52.2683 42.6079 175.0626 79 P 4.2682 0.0000 0.0000 65.9734 31.1979 178.3459 80 A 4.0471 8.6330 120.9436 54.8974 18.2140 179.8831 81 S 4.0342 7.9817 113.4137 61.7592 63.0835 176.5748 82 R 3.9122 7.8708 120.7731 59.6818 29.8030 178.8462 83 D 4.4035 8.1859 118.3600 57.0956 40.7680 178.5872 84 L 3.9570 7.8474 120.9448 58.1143 42.0604 179.1933 85 V 3.6770 7.7414 118.0771 66.0574 31.4332 178.1121 86 V 3.6348 7.8810 117.8446 66.2589 31.2758 178.0037 87 S 4.1562 8.3266 114.9946 61.8317 62.5682 176.2034 88 Y 4.1149 8.2007 122.1078 60.5876 38.5626 178.1716 89 V 3.3947 8.2676 119.5002 66.2510 31.8448 177.6399 90 N 4.4410 8.4377 116.2671 56.2688 38.1782 176.5844 91 T 4.5112 7.4874 114.2629 62.7599 69.5332 174.5251 92 N 4.6019 7.8943 115.5704 53.3312 40.6154 176.6503 93 V 3.8934 8.6110 124.2322 66.3964 32.4895 176.7025 94 G 3.8148 8.7641 105.9890 47.8943 0.0000 175.4987 95 L 3.9253 7.5719 122.0219 57.3765 41.9666 178.7319 96 K 3.9551 8.1242 119.7005 59.8392 32.0719 178.8027 97 F 3.6658 8.6047 117.7895 60.0102 38.6912 178.0533 98 R 3.8459 7.7576 118.0516 59.2203 29.8038 179.0215 99 Q 3.1613 7.9249 118.0439 58.6986 28.7293 178.6927 100 L 4.4216 7.9359 122.9099 57.5459 41.9686 179.0517 101 L 3.9578 8.3080 119.3531 57.6520 41.6939 178.8895 102 W 4.3229 8.4435 128.4398 60.7703 30.5354 177.6485 103 F 3.6558 8.7815 120.2577 61.6841 38.9948 176.8864 104 H 3.8894 8.1401 115.6457 58.7028 28.4452 178.0434 105 I 3.5408 7.8676 121.8389 64.4457 36.9660 178.6671 106 S 4.0726 7.9799 116.2970 61.6581 62.4476 176.5395 107 C 3.8889 7.8584 119.8014 62.6497 27.4948 176.1842 108 L 3.7125 7.2816 119.5534 57.7433 41.0999 179.5535 109 T 4.0322 7.3053 116.0567 65.9046 68.6846 176.6032 110 F 4.5159 8.4154 117.3472 56.8456 39.8910 177.1215 111 G 3.9763 7.9226 106.2897 45.6851 0.0000 174.5273 112 R 3.7694 8.6120 121.7914 59.3073 30.0480 178.8538 113 E 4.0260 8.1712 117.8415 59.8397 29.5454 179.2856 114 T 3.8870 7.9193 115.2557 66.5784 68.4246 176.7569 115 V 3.6552 7.6487 120.2504 65.8763 31.5455 178.1550 116 L 4.1582 8.1981 118.8411 57.8261 41.3964 179.1856 117 E 3.9928 8.5501 118.8538 59.7431 29.4804 178.8578 118 Y 4.0890 8.0738 119.3291 60.6915 38.7929 178.1323 119 L 3.8284 8.4167 120.2551 57.6528 41.7699 179.6717 120 V 3.5243 7.9679 118.2163 66.0849 31.5067 178.1752 121 S 4.0579 8.2147 115.2022 61.6561 62.6282 176.6134 122 F 3.8713 8.3928 123.7275 60.9384 38.8431 177.4104 123 G 3.0709 8.1242 104.9489 47.6775 0.0000 175.6995 124 V 3.6176 7.5472 114.4876 63.9004 31.6458 177.7472 125 W 3.9865 8.1097 128.0219 60.4133 30.1857 177.4626 126 I 3.2030 7.6878 120.6772 63.4528 37.5465 176.6623 127 R 4.2112 7.0076 116.3150 56.1982 30.2814 175.8584 128 T 4.1155 7.6564 115.2802 62.4709 68.9174 173.0559 129 P 4.2663 0.0000 0.0000 61.9505 32.1172 175.2290 130 P 3.7863 0.0000 0.0000 65.9602 31.1118 177.2926 131 A 3.9722 7.9215 118.2823 55.6858 18.9638 179.8808 132 A 4.1398 7.2394 122.1475 52.0098 18.4374 176.2069 133 R 3.5421 8.3908 118.5483 55.6409 27.4555 174.5311 134 P 4.3586 0.0000 0.0000 61.3365 32.0979 174.6068 135 P 4.4728 0.0000 0.0000 64.7472 31.7067 175.8472 136 N 4.5331 7.9876 115.9417 51.0914 38.2671 174.5316 137 A 2.5800 7.7214 126.4194 50.2735 18.7939 175.0453 138 P 4.3927 0.0000 0.0000 62.9467 31.9476 175.7755 139 I 4.3844 8.0542 119.4911 59.4301 39.2552 175.0212 140 L 4.2953 7.9430 125.3906 53.2258 43.0153 175.4700 141 S 4.8209 7.8794 119.1493 57.1436 65.2657 174.0117 142 T 4.1261 8.6150 114.8566 62.9450 69.1705 174.3365 143 L 4.1029 8.7001 129.2791 55.0871 43.7864 173.2557 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 4.37 0.00 2.03 2.08 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 2.51 2.54 0.00 2 D 8.57 4.55 0.00 2.67 2.56 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 3 I 8.27 4.36 1.87 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 1.30 0.75 0.91 0.00 0.00 4 D 8.40 4.84 0.00 2.68 2.56 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 5 P 0.00 4.21 0.00 1.73 1.98 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.75 0.00 6 Y 8.92 4.28 0.00 3.14 2.80 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 7 K 8.60 4.54 0.00 1.86 1.82 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.34 7.81 8 E 8.09 4.10 0.00 1.82 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 1.82 1.47 0.00 9 F 8.18 4.69 0.00 3.50 3.47 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 10 G 8.57 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 0.00 0.00 0.00 11 A 7.68 4.97 1.19 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 0.00 0.00 0.00 0.00 0.00 12 T 7.76 5.21 4.44 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 1.24 0.00 0.00 13 V 9.13 3.43 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 0.99 0.00 0.00 0.90 0.00 0.00 14 E 7.97 3.84 0.00 1.96 1.77 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 2.32 2.30 0.00 15 L 7.96 4.19 0.00 1.77 1.73 1.11 0.89 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 16 L 7.36 4.00 0.00 1.10 1.44 -0.47 1.16 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 17 S 7.47 4.17 0.00 3.71 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 18 F 7.39 4.39 0.00 3.16 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.10 3.57 0.00 1.40 0.54 -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.50 0.00 2.45 2.26 0.00 3.21 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 2.06 2.05 0.00 21 S 8.74 4.38 0.00 4.12 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 0.00 22 D 8.03 4.69 0.00 2.82 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 23 F 8.21 3.92 0.00 2.52 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 24 F 7.45 4.41 0.00 3.01 2.93 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 25 P 0.00 4.50 0.00 2.12 2.03 0.00 3.91 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 2.20 2.06 0.00 26 S 8.33 4.35 0.00 4.07 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 27 V 8.19 3.41 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 0.05 0.00 0.00 0.22 0.00 0.00 28 R 7.91 3.92 0.00 1.94 1.94 0.00 3.44 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 29 D 8.14 4.42 0.00 2.78 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 30 L 7.72 4.06 0.00 1.82 1.75 1.14 1.18 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 31 L 8.12 4.03 0.00 1.88 1.76 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.22 4.38 0.00 2.87 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 33 T 8.22 3.83 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 1.21 0.00 0.00 34 A 8.43 4.12 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 35 A 8.19 3.89 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 36 A 8.16 3.92 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 37 L 7.77 4.07 0.00 0.59 0.41 0.76 0.77 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 38 Y 7.73 4.79 0.00 2.96 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 39 R 8.02 4.03 0.00 1.96 1.93 0.00 3.09 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 1.66 1.73 0.00 40 D 7.99 4.30 0.00 2.71 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 41 A 8.12 4.18 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 42 L 8.41 4.04 0.00 1.86 1.82 1.06 0.98 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 43 E 8.04 4.40 0.00 1.96 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 2.33 2.51 0.00 44 S 7.39 4.54 0.00 4.01 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 45 P 0.00 4.54 0.00 2.18 2.18 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 46 E 7.25 4.54 0.00 2.07 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 2.25 2.38 0.00 47 H 8.53 4.27 0.00 3.14 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 8.67 4.12 0.00 2.77 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 49 S 6.97 4.64 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.41 0.00 2.37 2.12 0.00 3.69 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 2.11 2.17 0.00 51 H 8.31 3.92 0.00 3.04 3.11 0.00 5.62 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 52 H 8.10 4.07 0.00 3.39 3.34 0.00 5.64 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 53 T 7.87 3.87 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 1.24 0.00 0.00 54 A 8.11 4.01 1.19 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 0.00 0.00 0.00 0.00 0.00 55 L 8.02 3.87 0.00 1.85 1.77 0.91 0.88 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 56 R 8.56 3.96 0.00 2.03 2.01 0.00 3.22 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 1.69 1.95 0.00 57 Q 8.07 4.06 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 58 A 8.17 4.28 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 59 I 8.00 3.81 2.11 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 1.60 1.30 1.00 0.00 0.00 60 L 7.83 4.07 0.00 1.69 1.75 0.95 0.94 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 61 C 8.57 4.14 0.00 3.26 3.35 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 62 W 8.54 3.88 0.00 3.32 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 63 G 7.96 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 64 D 7.87 4.29 0.00 2.80 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 65 L 7.66 3.78 0.00 0.97 1.16 0.50 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 66 M 7.40 3.77 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.38 0.00 67 T 7.61 3.82 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 68 L 7.89 3.93 0.00 1.69 1.81 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.32 4.03 1.30 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 0.00 0.00 70 T 8.31 3.86 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 1.22 0.00 0.00 71 W 8.16 3.95 0.00 3.35 3.41 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 72 V 8.54 3.71 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.23 0.00 0.00 73 G 8.11 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 0.00 0.00 0.00 74 T 7.69 3.94 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 1.17 0.00 0.00 75 N 7.15 4.46 0.00 1.91 2.38 0.00 0.00 6.86 7.86 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 76 L 6.86 4.60 0.00 1.66 1.52 0.86 1.27 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 77 E 8.72 4.03 0.00 1.92 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 2.24 2.23 0.00 78 D 7.84 4.68 0.00 2.68 2.51 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 79 P 0.00 4.27 0.00 2.29 2.29 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 80 A 8.63 4.05 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 81 S 7.98 4.03 0.00 4.04 3.89 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 0.00 0.00 0.00 82 R 7.87 3.91 0.00 2.02 1.99 0.00 3.10 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 83 D 8.19 4.40 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.85 3.96 0.00 2.04 1.78 0.94 0.91 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 85 V 7.74 3.68 2.29 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 1.09 0.00 0.00 0.94 0.00 0.00 86 V 7.88 3.63 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 1.10 0.00 0.00 1.02 0.00 0.00 87 S 8.33 4.16 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.20 4.11 0.00 3.16 3.26 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 0.00 89 V 8.27 3.39 2.27 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 1.07 0.00 0.00 1.06 0.00 0.00 90 N 8.44 4.44 0.00 3.01 2.91 0.00 0.00 7.04 7.49 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 91 T 7.49 4.51 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 1.20 0.00 0.00 92 N 7.89 4.60 0.00 2.21 2.29 0.00 0.00 6.51 9.01 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 93 V 8.61 3.89 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 1.28 0.00 0.00 0.96 0.00 0.00 94 G 8.76 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 95 L 7.57 3.93 0.00 1.99 1.65 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.12 3.96 0.00 1.88 2.06 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.41 7.81 97 F 8.60 3.67 0.00 2.92 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 98 R 7.76 3.85 0.00 1.83 1.97 0.00 3.40 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 99 Q 7.92 3.16 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.73 0.00 100 L 7.94 4.42 0.00 1.54 1.31 0.36 0.17 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 0.00 101 L 8.31 3.96 0.00 1.80 1.74 0.82 0.72 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 0.00 102 W 8.44 4.32 0.00 3.73 3.83 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 0.00 103 F 8.78 3.66 0.00 3.50 3.32 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 0.00 104 H 8.14 3.89 0.00 3.14 3.12 0.00 5.67 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 0.00 105 I 7.87 3.54 1.86 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 1.56 0.57 0.95 0.00 0.00 106 S 7.98 4.07 0.00 2.90 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 0.00 107 C 7.86 3.89 0.00 2.32 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 0.00 0.00 0.00 0.00 108 L 7.28 3.71 0.00 1.12 0.85 -0.06 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.31 4.03 3.95 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 0.37 0.00 0.00 110 F 8.42 4.52 0.00 2.97 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 0.00 111 G 7.92 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 0.00 112 R 8.61 3.77 0.00 1.95 2.01 0.00 3.33 0.00 0.00 3.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 113 E 8.17 4.03 0.00 2.05 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 2.44 2.38 0.00 114 T 7.92 3.89 4.53 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 1.21 0.00 0.00 115 V 7.65 3.66 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 1.14 0.00 0.00 0.75 0.00 0.00 116 L 8.20 4.16 0.00 1.96 1.81 1.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.55 3.99 0.00 2.32 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 2.37 2.48 0.00 118 Y 8.07 4.09 0.00 3.06 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 0.00 119 L 8.42 3.83 0.00 1.99 1.79 1.26 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.97 3.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 121 S 8.21 4.06 0.00 3.95 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 0.00 122 F 8.39 3.87 0.00 2.29 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.12 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 0.00 0.00 0.00 124 V 7.55 3.62 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 0.90 0.00 0.00 0.88 0.00 0.00 125 W 8.11 3.99 0.00 3.26 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 0.00 126 I 7.69 3.20 1.23 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 1.39 0.78 0.98 0.00 0.00 127 R 7.01 4.21 0.00 1.75 1.93 0.00 3.21 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 128 T 7.66 4.12 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 1.09 0.00 0.00 129 P 0.00 4.27 0.00 2.12 2.09 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 130 P 0.00 3.79 0.00 1.98 2.10 0.00 3.60 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 131 A 7.92 3.97 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 0.00 132 A 7.24 4.14 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.39 3.54 0.00 1.59 1.94 0.00 2.21 0.00 0.00 2.79 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.05 0.00 134 P 0.00 4.36 0.00 2.22 2.12 0.00 3.95 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 2.14 2.18 0.00 135 P 0.00 4.47 0.00 2.21 2.23 0.00 3.55 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 2.01 2.14 0.00 136 N 7.99 4.53 0.00 2.71 2.76 0.00 0.00 6.86 7.35 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 0.00 137 A 7.72 2.58 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.39 0.00 2.31 2.03 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 139 I 8.05 4.38 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.87 0.00 0.00 140 L 7.94 4.30 0.00 0.40 0.99 0.28 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 141 S 7.88 4.82 0.00 3.83 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 0.00 142 T 8.62 4.13 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 143 L 8.70 4.10 0.00 1.67 2.03 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00