NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7588 8.4449 120.3866 55.8006 29.8546 172.2852 3 L 4.1016 7.9650 125.6880 52.1956 42.5261 176.6159 4 T 4.1096 8.4844 113.7573 60.6897 71.9195 173.6979 5 P 4.2012 0.0000 0.0000 66.2117 31.1607 178.4470 6 E 3.9642 8.1052 117.7740 59.2028 29.4323 179.0234 7 E 3.8954 7.9405 118.1812 59.1153 29.5714 179.1394 8 K 3.8054 8.2553 120.0240 59.8055 32.2090 179.0496 9 S 4.1321 8.0124 114.7658 61.3490 62.6812 176.5169 10 A 3.9862 7.9570 123.5890 55.0184 18.1018 179.8345 11 V 3.4548 7.7796 116.6612 66.4637 31.6517 178.3726 12 T 3.9347 7.8326 115.0770 66.5295 68.0782 176.2696 13 A 4.0143 7.9282 121.4355 55.3652 18.7494 179.2039 14 L 3.8639 8.0419 118.6899 57.9798 42.1851 178.9360 15 W 4.3967 8.8349 128.6227 60.3374 30.4331 178.0828 16 G 3.8034 8.1584 104.8724 47.0906 0.0000 174.7296 17 K 4.4336 7.8016 118.1953 55.5791 32.8076 176.7391 18 V 3.6240 7.0495 120.6451 62.0449 32.0268 176.1683 19 N 4.4605 8.2170 125.5202 52.4377 38.2642 175.2699 20 V 3.3879 7.9640 127.0370 65.8650 31.6730 176.6053 21 D 4.3923 8.1673 117.8913 57.8354 40.6782 178.8336 22 E 3.9081 8.2887 118.0705 59.5869 29.5020 179.7393 23 V 3.5934 7.8968 118.4568 65.7508 31.4747 178.2633 24 G 3.6884 8.2523 105.7696 47.7945 0.0000 176.0051 25 G 3.6133 7.8497 108.5551 47.2321 0.0000 175.5231 26 E 3.8567 8.2361 121.4412 59.0251 29.6091 178.8451 27 A 3.9244 8.1866 121.1165 55.0306 18.5187 179.4063 28 L 3.9308 8.0744 119.0663 58.0282 42.1429 179.3537 29 G 3.5449 8.2495 105.8922 48.0539 0.0000 175.9237 30 R 3.8886 8.2626 121.4716 58.4292 30.0075 178.7207 31 L 4.0458 8.1287 120.5113 58.5229 42.2005 179.2667 32 L 4.0551 7.7399 119.5580 56.5709 41.2317 179.6837 33 V 3.5460 7.2846 117.8475 65.8241 31.7105 177.9744 34 V 3.5661 7.9071 116.8507 64.2169 32.7741 175.5506 35 Y 3.7796 7.2931 116.4612 54.2357 37.8202 174.1673 36 P 4.8112 0.0000 0.0000 64.3764 31.7636 178.4066 37 W 4.3889 8.3178 116.7343 59.5671 27.4511 177.8457 38 T 4.2184 7.6701 110.4006 64.1234 68.1689 176.1691 39 Q 4.3315 8.1638 121.5413 58.3227 28.4047 178.3876 40 R 3.7873 7.6935 116.9694 59.0591 29.2048 177.9141 41 F 4.4462 7.4187 115.5845 57.4539 39.5422 175.7274 42 F 4.6173 7.9599 118.5655 56.8993 39.5214 177.2236 43 E 4.1093 8.3871 122.6374 59.2037 29.4821 178.8365 44 S 4.4844 8.1444 110.9075 59.0575 63.5059 174.4507 45 F 4.6212 8.4704 119.5414 57.5966 40.1332 177.3270 46 G 3.9827 7.4748 108.4517 45.5923 0.0000 175.3501 47 D 4.5392 8.6930 126.8657 54.1219 40.9688 175.5143 48 L 4.9057 8.3239 127.2505 54.5544 42.9802 178.0004 49 S 4.3721 8.5345 115.7129 60.2808 63.5885 174.4486 50 T 4.7311 7.4000 110.6111 58.2630 72.9607 172.5476 51 P 4.1875 0.0000 0.0000 66.1533 31.3654 178.6254 52 D 4.3106 8.1072 116.6525 57.3080 40.5307 178.5988 53 A 3.9785 7.8505 120.2524 55.0135 18.6118 179.6186 54 V 3.6742 8.0154 116.8868 66.6357 31.4861 178.3127 55 M 4.1899 8.1502 117.2720 57.9289 31.8662 178.3180 56 G 3.9019 7.8632 103.8053 44.4249 0.0000 173.4483 57 N 4.3950 7.5640 121.0451 53.0210 39.4040 173.8105 58 P 4.2785 0.0000 0.0000 65.5998 31.3147 178.8205 59 K 3.7493 8.4630 117.6720 58.9169 31.7542 179.6379 60 V 3.7675 7.8436 118.1858 65.9564 31.7338 177.9946 61 K 3.9077 7.9991 117.9649 59.4829 31.7248 179.1472 62 A 3.9932 8.2325 121.2599 55.5229 18.2586 179.2327 63 H 4.4369 8.6885 117.2251 59.3104 30.0224 177.6169 64 G 3.6987 8.6338 108.0570 47.7249 0.0000 175.7687 65 K 4.0334 7.9914 120.1924 59.2980 32.0773 179.6117 66 K 4.0173 7.7216 117.3289 59.3530 32.0098 179.5866 67 V 3.6082 7.8959 118.5642 66.1494 31.5743 177.8621 68 L 4.4319 8.2797 119.6932 57.4255 41.9011 178.9314 69 G 3.7614 8.4216 106.0831 47.8938 0.0000 175.5478 70 A 4.0492 8.1793 123.5266 54.6199 18.1974 179.2449 71 F 4.0368 8.2681 118.2293 61.7030 39.9021 176.7745 72 S 4.2308 9.0072 112.8862 61.8843 62.3529 176.0452 73 D 4.4822 8.4762 121.4341 57.1695 40.4058 178.9152 74 G 3.6190 7.9762 106.3592 47.6519 0.0000 175.4720 75 L 3.7705 7.2152 119.0058 56.4962 41.6280 178.2950 76 A 4.2640 7.4407 118.7756 52.6956 19.5585 176.6043 77 H 4.9584 8.1507 115.3696 54.7714 29.8138 175.5582 78 L 4.0129 8.0307 120.0648 57.5940 41.8434 178.6022 79 D 4.5606 7.9245 116.2583 55.4248 41.6193 175.9710 80 N 5.0119 8.2701 118.0612 51.4075 39.1070 174.9706 81 L 3.8743 7.7079 121.0915 57.3961 42.3088 179.3272 82 K 4.0241 8.1253 118.6735 59.4307 31.7782 179.2237 83 G 3.5823 7.9785 104.6197 48.1728 0.0000 175.6085 84 T 3.7760 7.2336 116.8322 65.2483 68.6768 175.8269 85 F 4.7773 7.7615 116.3111 56.7946 39.7497 177.1830 86 A 4.0527 7.8743 122.0508 55.7592 18.2305 180.1540 87 T 3.8437 7.8303 113.5364 66.8377 68.5429 176.9260 88 L 4.1378 7.9488 120.4317 57.5683 41.6053 179.3729 89 S 4.4077 8.6981 114.9259 61.0010 62.4303 175.9022 90 E 3.8415 8.1337 121.2609 59.3709 29.1933 179.2153 91 L 3.8976 7.9239 120.1234 58.6356 42.1177 178.8467 92 H 4.1859 8.6206 116.4711 58.9848 28.0956 177.1269 93 C 3.5873 7.9760 120.9073 62.2431 31.1044 175.3464 94 D 4.3262 8.4580 120.7069 56.6175 40.6650 177.7714 95 K 4.1949 7.7231 116.7670 57.8192 33.0506 177.4663 96 L 4.2768 7.7886 116.2110 54.3419 42.6349 176.0146 97 H 4.1422 7.2240 113.8136 56.6265 26.6083 175.4008 98 V 3.5908 7.9826 118.6741 60.9311 32.2623 174.5936 99 D 4.2299 8.8761 127.0912 54.1579 41.2605 175.2766 100 P 2.9700 0.0000 0.0000 63.9844 31.1957 178.2160 101 E 3.8084 8.0516 118.5939 59.4852 29.2067 178.9306 102 N 4.3735 8.0020 116.3730 56.1417 38.4963 177.3699 103 F 4.5006 7.6901 119.6370 60.4045 38.9059 177.6051 104 R 3.9166 7.7333 117.5394 59.3656 29.8643 178.4924 105 L 3.7562 7.7813 118.2539 57.7446 41.5985 179.1559 106 L 4.0574 8.0904 120.2981 58.0692 42.0345 179.1877 107 G 3.6940 8.2133 105.7257 48.0009 0.0000 175.4611 108 N 4.5059 8.3136 118.8880 55.7623 38.4668 177.8034 109 V 3.6063 8.0679 119.9945 65.8838 31.5965 177.6396 110 L 3.8336 8.2858 120.5286 58.2839 41.7650 179.1598 111 V 3.5362 7.8792 117.9521 66.2078 31.3963 177.7450 112 C 4.0600 8.2145 116.4971 62.8389 27.8680 176.3533 113 V 3.5083 7.9286 120.0942 65.8729 31.0278 178.1155 114 L 3.8152 8.0331 118.9746 57.4761 41.2944 179.3045 115 A 3.7460 7.3508 120.7651 55.2910 18.1045 179.1308 116 H 4.0934 8.0569 115.7215 59.7371 30.0091 176.6980 117 H 3.9525 8.1823 119.1295 58.5747 29.9653 176.4104 118 F 4.6737 8.4498 118.1118 56.5763 39.8983 177.1725 119 G 3.8096 8.8807 108.4850 46.0315 0.0000 177.3256 120 K 3.9909 8.8868 122.1258 59.2971 32.4572 177.9616 121 E 4.0618 7.9953 119.5792 58.5167 30.0042 177.0709 122 F 4.5485 8.1429 123.4354 57.0721 37.8506 175.2217 123 T 4.1937 7.3201 115.6981 60.1999 71.3949 173.5307 124 P 4.1632 0.0000 0.0000 65.5559 31.3612 177.2063 125 P 4.2193 0.0000 0.0000 65.4467 31.1980 178.8774 126 V 3.5534 7.5344 116.7445 65.7767 31.3732 177.8328 127 Q 3.5509 7.8882 119.5097 59.0453 28.9406 178.0775 128 A 4.0292 8.0546 121.4915 55.0990 18.3370 179.4950 129 A 3.8661 7.9191 119.0031 55.7032 18.4502 179.6129 130 Y 4.0195 8.3520 115.2299 61.0812 37.8772 178.8206 131 Q 4.1289 8.7516 119.8246 58.8665 28.7843 178.8075 132 K 3.9721 7.9634 119.0820 59.2996 31.9941 179.4530 133 V 3.4754 7.7337 118.4250 66.3150 31.4238 178.6357 134 V 3.8627 8.3714 112.1665 64.2176 31.2844 178.5210 135 A 4.0982 8.2457 120.9424 55.0421 18.1764 179.9035 136 G 3.4845 8.2301 104.3270 47.8308 0.0000 176.0710 137 V 3.1362 8.0365 120.9837 65.4637 31.5203 177.7505 138 A 3.9725 8.0734 120.6215 55.4797 17.9780 179.4178 139 N 4.3129 8.1596 113.4665 56.3746 38.9475 177.2680 140 A 4.1792 8.1432 122.3672 55.0970 18.1999 179.4320 141 L 3.9558 8.2633 118.6409 57.2730 42.0377 178.0400 142 A 4.5976 7.8451 119.3029 53.1519 18.9970 178.3593 143 H 4.4938 8.1027 112.7227 57.4330 28.7921 176.2107 144 K 4.4145 7.9070 119.7297 56.2062 32.2657 176.2948 145 Y 4.1609 8.0497 117.7358 58.5522 38.4296 175.7158 146 H 4.4124 8.4020 116.8451 56.3759 28.0370 173.5705 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 H 8.44 4.76 0.00 3.08 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.97 4.10 0.00 1.66 1.49 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.48 4.11 4.20 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 1.13 0.00 0.00 5 P 0.00 4.20 0.00 2.27 2.34 0.00 3.68 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 2.06 2.05 0.00 6 E 8.11 3.96 0.00 2.01 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 2.38 2.39 0.00 7 E 7.94 3.90 0.00 2.23 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 2.27 2.26 0.00 8 K 8.26 3.81 0.00 1.89 1.76 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 9 S 8.01 4.13 0.00 3.93 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 10 A 7.96 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.78 3.45 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 0.58 0.00 0.00 0.45 0.00 0.00 12 T 7.83 3.93 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 1.26 0.00 0.00 13 A 7.93 4.01 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 14 L 8.04 3.86 0.00 1.95 1.93 0.35 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.83 4.40 0.00 3.84 3.22 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 0.00 16 G 8.16 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.80 4.43 0.00 2.12 2.15 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.63 7.81 18 V 7.05 3.62 1.22 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 0.04 0.00 0.00 0.72 0.00 0.00 19 N 8.22 4.46 0.00 2.68 2.55 0.00 0.00 6.84 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 7.96 3.39 2.11 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 1.24 0.00 0.00 0.92 0.00 0.00 21 D 8.17 4.39 0.00 2.87 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 22 E 8.29 3.91 0.00 2.06 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 2.27 2.26 0.00 23 V 7.90 3.59 1.95 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 0.95 0.00 0.00 0.63 0.00 0.00 24 G 8.25 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 25 G 7.85 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 26 E 8.24 3.86 0.00 2.12 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 0.00 2.24 2.32 0.00 27 A 8.19 3.92 1.26 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 0.00 0.00 28 L 8.07 3.93 0.00 1.83 1.69 0.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.25 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.89 0.00 1.86 1.93 0.00 3.10 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 31 L 8.13 4.05 0.00 1.84 1.86 0.93 0.98 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 32 L 7.74 4.06 0.00 1.82 1.62 0.61 0.55 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 33 V 7.28 3.55 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 0.71 0.00 0.00 0.92 0.00 0.00 34 V 7.91 3.57 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 0.01 0.00 0.00 0.76 0.00 0.00 35 Y 7.29 3.78 0.00 2.45 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 4.81 0.00 2.31 2.29 0.00 3.84 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 2.22 1.90 0.00 37 W 8.32 4.39 0.00 3.57 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 38 T 7.67 4.22 4.43 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 1.10 0.00 0.00 39 Q 8.16 4.33 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 40 R 7.69 3.79 0.00 1.67 1.98 0.00 2.99 0.00 0.00 2.61 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 41 F 7.42 4.45 0.00 2.21 2.46 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 42 F 7.96 4.62 0.00 2.85 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 43 E 8.39 4.11 0.00 2.05 2.03 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 2.41 2.43 0.00 44 S 8.14 4.48 0.00 4.11 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 8.47 4.62 0.00 3.25 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 46 G 7.47 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 8.69 4.54 0.00 2.65 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 48 L 8.32 4.91 0.00 1.65 1.61 1.05 1.02 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 49 S 8.53 4.37 0.00 4.00 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 T 7.40 4.73 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 4.19 0.00 2.15 2.12 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 2.16 0.00 52 D 8.11 4.31 0.00 2.67 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 53 A 7.85 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.02 3.67 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 1.01 0.00 0.00 0.96 0.00 0.00 55 M 8.15 4.19 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.86 0.00 56 G 7.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.56 4.40 0.00 2.96 2.85 0.00 0.00 7.05 8.96 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 58 P 0.00 4.28 0.00 2.14 2.05 0.00 3.62 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 2.08 2.15 0.00 59 K 8.46 3.75 0.00 1.67 0.74 0.00 1.55 0.00 0.00 1.23 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.11 1.25 7.81 60 V 7.84 3.77 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 1.13 0.00 0.00 1.06 0.00 0.00 61 K 8.00 3.91 0.00 1.98 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.64 7.81 62 A 8.23 3.99 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 63 H 8.69 4.44 0.00 3.55 3.64 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 8.63 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 65 K 7.99 4.03 0.00 2.07 1.89 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.75 7.81 66 K 7.72 4.02 0.00 1.99 1.89 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.66 7.81 67 V 7.90 3.61 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 1.06 0.00 0.00 0.94 0.00 0.00 68 L 8.28 4.43 0.00 1.99 1.78 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.42 3.76 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 0.00 0.00 0.00 70 A 8.18 4.05 1.56 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 71 F 8.27 4.04 0.00 3.20 3.50 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 0.00 0.00 0.00 0.00 72 S 9.01 4.23 0.00 4.59 4.31 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 73 D 8.48 4.48 0.00 2.79 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 74 G 7.98 3.62 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 0.00 0.00 0.00 75 L 7.22 3.77 0.00 1.46 1.42 -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.44 4.26 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 H 8.15 4.96 0.00 3.05 3.14 0.00 5.63 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 78 L 8.03 4.01 0.00 1.55 1.66 0.77 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.92 4.56 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 80 N 8.27 5.01 0.00 2.67 2.59 0.00 0.00 7.05 6.21 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 81 L 7.71 3.87 0.00 1.76 1.87 0.88 0.82 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 82 K 8.13 4.02 0.00 1.73 1.74 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 1.40 7.81 83 G 7.98 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 84 T 7.23 3.78 3.94 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 0.18 0.00 0.00 85 F 7.76 4.78 0.00 3.07 2.99 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 86 A 7.87 4.05 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 87 T 7.83 3.84 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 1.21 0.00 0.00 88 L 7.95 4.14 0.00 1.99 1.86 1.04 0.92 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 89 S 8.70 4.41 0.00 4.03 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 90 E 8.13 3.84 0.00 2.22 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 2.29 2.40 0.00 91 L 7.92 3.90 0.00 1.78 1.87 0.91 1.14 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 92 H 8.62 4.19 0.00 3.54 3.75 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 7.98 3.59 0.00 1.23 2.32 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 94 D 8.46 4.33 0.00 2.68 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 95 K 7.72 4.19 0.00 1.82 1.80 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.36 7.81 96 L 7.79 4.28 0.00 1.70 1.61 0.72 0.96 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 97 H 7.22 4.14 0.00 3.45 3.42 0.00 5.64 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 7.98 3.59 2.15 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 0.29 0.00 0.00 0.47 0.00 0.00 99 D 8.88 4.23 0.00 2.80 2.61 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 0.00 100 P 0.00 2.97 0.00 1.72 1.45 0.00 3.25 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.00 101 E 8.05 3.81 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 2.36 2.45 0.00 102 N 8.00 4.37 0.00 2.62 2.88 0.00 0.00 6.91 7.72 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 0.00 103 F 7.69 4.50 0.00 3.01 2.88 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 0.00 104 R 7.73 3.92 0.00 1.91 2.05 0.00 3.08 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 1.62 1.68 0.00 105 L 7.78 3.76 0.00 1.66 1.10 0.64 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.09 4.06 0.00 1.83 1.86 0.92 0.88 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 0.00 107 G 8.21 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 0.00 108 N 8.31 4.51 0.00 2.81 2.95 0.00 0.00 6.66 7.78 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 0.00 109 V 8.07 3.61 2.25 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 1.16 0.00 0.00 1.18 0.00 0.00 110 L 8.29 3.83 0.00 1.69 1.76 0.86 0.12 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 0.00 111 V 7.88 3.54 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 1.35 0.00 0.00 1.18 0.00 0.00 112 C 8.21 4.06 0.00 3.18 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 0.00 113 V 7.93 3.51 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 1.00 0.00 0.00 0.93 0.00 0.00 114 L 8.03 3.82 0.00 0.97 1.13 0.60 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.35 3.75 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 0.00 116 H 8.06 4.09 0.00 3.16 3.41 0.00 5.78 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 0.00 117 H 8.18 3.95 0.00 2.86 2.87 0.00 5.98 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 8.45 4.67 0.00 3.30 3.09 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 0.00 119 G 8.88 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 0.00 120 K 8.89 3.99 0.00 1.92 2.01 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 121 E 8.00 4.06 0.00 2.04 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 122 F 8.14 4.55 0.00 3.07 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.32 4.19 4.20 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 1.28 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.14 0.00 3.57 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 2.11 2.19 0.00 125 P 0.00 4.22 0.00 2.11 2.06 0.00 3.49 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 2.08 2.11 0.00 126 V 7.53 3.55 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 1.12 0.00 0.00 0.90 0.00 0.00 127 Q 7.89 3.55 0.00 1.63 2.07 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 2.43 2.61 0.00 128 A 8.05 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.92 3.87 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 0.00 130 Y 8.35 4.02 0.00 3.36 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 0.00 131 Q 8.75 4.13 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 132 K 7.96 3.97 0.00 1.95 1.82 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.61 7.81 133 V 7.73 3.48 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 0.92 0.00 0.00 0.66 0.00 0.00 134 V 8.37 3.86 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 1.03 0.00 0.00 1.14 0.00 0.00 135 A 8.25 4.10 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 0.00 136 G 8.23 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 0.00 137 V 8.04 3.14 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 0.42 0.00 0.00 0.52 0.00 0.00 138 A 8.07 3.97 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 0.00 139 N 8.16 4.31 0.00 2.83 2.90 0.00 0.00 7.06 7.33 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 0.00 140 A 8.14 4.18 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 8.26 3.96 0.00 1.36 0.95 -0.61 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.85 4.60 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 0.00 143 H 8.10 4.49 0.00 3.39 3.67 0.00 5.55 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.91 4.41 0.00 1.71 1.82 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.01 1.60 7.81 145 Y 8.05 4.16 0.00 3.12 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.40 4.41 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