NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4847 8.3049 120.3334 55.2987 33.7803 176.5201 2 R 3.9844 8.1281 123.1886 53.3966 28.4941 175.1515 3 Y 4.1968 7.8281 121.0519 59.9956 39.1812 178.4285 4 R 3.3778 6.0152 117.1920 58.7108 29.0201 178.4762 5 K 3.9206 7.7514 120.3872 59.3176 32.1124 179.0526 6 G 3.6263 7.9337 105.2429 47.7551 0.0000 175.3418 7 A 4.2281 8.0895 123.3880 54.9702 18.3395 179.8242 8 R 4.0208 8.1679 117.2879 59.5836 30.0725 178.1275 9 D 4.4621 8.0538 117.9935 57.6586 41.1719 178.3244 10 T 3.8852 8.3922 109.7211 64.1531 68.4625 175.9821 11 A 4.0560 7.9758 124.6536 55.2045 18.3585 179.3732 12 F 4.1759 8.0043 113.1905 60.1594 37.8780 177.4488 13 L 2.5898 6.2834 120.0712 57.8115 39.5174 179.3095 14 V 3.1895 6.6454 118.0305 65.7301 31.7076 177.7996 15 L 4.1339 7.5670 118.4810 57.8501 41.4450 178.8744 16 Y 4.5835 8.2487 121.4069 60.2644 38.6048 178.3068 17 R 4.0377 8.1220 119.1266 58.8670 30.1835 178.7568 18 W 3.7428 8.0391 127.9359 60.4818 30.3995 177.7903 19 D 4.4922 7.8366 117.8708 56.7356 40.2134 178.0739 20 L 4.1647 7.4775 117.8965 56.5806 42.3852 177.9941 21 R 4.1695 8.4766 117.5203 56.9995 31.3078 177.1932 22 G 2.4115 7.4184 103.8153 46.2169 0.0000 172.1395 23 E 4.4801 7.3539 115.9402 53.6672 34.1465 174.5212 24 N 4.2062 8.3842 118.7899 52.6976 38.0399 172.8906 25 P 4.5556 0.0000 0.0000 64.8923 31.1610 178.6480 26 G 3.6512 8.0594 104.4399 47.7925 0.0000 175.2356 27 E 4.1744 8.3477 121.9409 58.8921 29.7383 178.6391 28 L 4.0231 8.0510 118.6060 57.9191 41.6982 178.9988 29 F 4.1942 8.3569 120.4808 61.4277 39.0277 176.9951 30 K 3.8688 8.2104 118.8042 59.4684 31.6123 178.3813 31 E 3.8588 8.2898 119.9635 59.0519 29.5118 179.2388 32 V 3.6317 7.7326 118.7940 64.9045 31.5816 178.0494 33 V 3.4043 7.5199 117.9865 65.7887 31.1140 177.4959 34 E 4.0625 7.4049 116.8438 59.5352 29.4349 178.9771 35 E 4.2355 7.3329 116.9796 57.9624 29.7282 177.6274 36 K 4.3053 8.2122 119.4673 55.4554 32.6754 178.7821 37 N 4.7315 8.6202 126.7430 52.2808 37.2854 175.9861 38 I 3.7063 7.8803 120.6349 63.0623 37.4968 176.8979 39 K 3.8055 7.7119 116.3232 56.4625 31.0267 173.5742 40 N 4.2586 8.1821 125.0182 53.1194 38.9884 175.1139 41 K 3.8979 8.5823 124.0716 59.6175 32.1654 177.3798 42 D 4.2972 8.1017 118.3243 57.3450 40.5728 178.7109 43 A 4.2011 8.1104 121.2430 55.4288 18.5543 178.9795 44 Y 4.0438 8.0286 117.6331 60.8057 38.9285 177.9017 45 E 3.1968 8.3716 120.5133 59.2494 29.8048 178.0091 46 Y 3.8647 8.3150 119.7023 60.6716 38.7896 178.0321 47 A 4.4380 8.6848 123.5603 54.3737 18.4904 179.3914 48 K 3.9546 7.4498 118.0080 59.7358 32.0444 178.8213 49 K 3.8026 7.3921 117.7834 59.3247 32.1353 177.9915 50 L 4.0495 7.6588 120.8079 58.2074 41.9727 179.4738 51 V 3.6826 7.9882 119.0367 64.8588 31.3508 178.0522 52 D 4.3258 8.1223 119.4787 57.3694 40.3326 178.7112 53 T 3.8679 7.4015 115.5722 66.4566 68.1604 175.9976 54 A 3.8575 8.0348 122.9647 54.7524 18.6807 179.4825 55 V 3.2463 7.4603 115.2548 64.6327 31.5755 177.4626 56 R 4.0343 7.6811 117.8744 58.9643 30.0367 175.1303 57 H 4.7593 8.3492 116.6541 56.8658 33.1604 176.7607 58 I 3.3808 6.7961 118.8376 63.3654 38.0943 176.0099 59 E 4.0281 8.0863 119.0511 59.5700 29.3466 178.8221 60 E 3.8947 8.2018 118.6383 59.3005 29.5488 178.7072 61 I 3.7211 7.9507 120.1130 64.4893 37.1843 177.9253 62 D 4.3479 8.0290 119.6017 57.5096 40.6931 178.8515 63 S 4.0981 8.0370 113.3765 61.6044 62.1515 176.2580 64 I 3.7555 8.1190 121.8070 64.4266 37.1124 177.9673 65 I 3.8508 8.2217 119.9717 63.9350 37.4308 177.5405 66 E 3.9603 8.6603 120.6950 59.2249 29.2307 178.8683 67 K 3.7239 8.0111 117.6555 59.0613 32.3006 177.6947 68 H 4.4908 7.6771 116.7762 56.6508 30.5492 176.0763 69 L 4.0591 7.6103 119.7503 55.1434 41.1560 177.5738 70 K 3.4863 8.6297 116.7827 57.1462 30.3048 175.1006 71 G 4.0142 8.3511 109.7855 46.0479 0.0000 174.8113 72 W 4.6786 7.4514 119.2438 56.9573 29.6575 174.7027 73 S 4.8271 8.4571 112.4031 56.3311 63.9789 174.5246 74 I 3.7306 8.6450 127.5245 63.9207 37.8800 176.6020 75 D 4.2591 8.3267 118.7024 54.7893 40.7818 180.8226 76 R 2.9221 8.9009 116.2172 56.7497 31.3451 175.4600 77 L 4.4664 8.2343 114.9437 55.6582 46.2078 176.6781 78 G 3.7526 7.7855 107.4179 46.1939 0.0000 172.5769 79 Y 3.9800 8.9139 125.3619 60.7085 39.4293 177.4721 80 V 4.2501 8.5786 118.7732 66.5068 31.3479 177.2316 81 E 4.2790 8.4478 117.5401 59.7030 29.1019 179.0604 82 R 4.0781 7.5515 116.8361 59.8521 30.2374 177.9571 83 N 4.5128 8.2605 115.1444 56.3179 38.7327 177.0422 84 A 4.1458 9.2038 123.3135 55.2294 18.4726 179.4777 85 L 3.9050 8.8086 118.4592 58.2074 41.7405 179.9780 86 R 3.8335 7.7637 117.9860 59.1487 29.7735 179.1098 87 L 4.0990 7.9192 118.1251 58.6445 40.5687 179.2563 88 G 3.8294 8.1528 106.8799 46.7438 0.0000 176.2191 89 V 3.6578 7.7451 121.6393 64.0426 30.4517 177.9087 90 A 3.4293 7.7803 121.6406 55.3346 17.6395 179.3882 91 E 3.8012 8.6501 116.7515 60.6137 29.5806 181.7291 92 L 3.1989 7.7175 113.7318 54.0483 45.3497 177.1924 93 I 4.3136 7.8287 117.3495 62.0363 40.4353 177.8703 94 F 4.0110 7.7153 115.3098 60.0700 38.7441 175.8598 95 L 4.4329 7.9763 118.5790 54.6028 42.1465 175.7998 96 K 4.6752 8.0546 124.9410 57.8909 33.1106 174.4997 97 S 5.3822 8.7408 112.2807 56.6005 60.2421 175.0142 98 K 3.6447 8.8424 135.0000 57.4034 29.8947 174.1766 99 E 3.6954 8.4238 123.9946 56.5034 26.9061 174.1251 100 P 3.7407 0.0000 0.0000 64.9893 31.8016 178.3755 101 G 3.5869 7.7044 104.0021 48.0739 0.0000 175.8454 102 R 3.8812 7.6423 120.4807 58.4178 29.9879 179.0216 103 V 3.4212 7.3843 118.1889 65.9597 31.1946 178.1913 104 F 4.3860 6.8765 117.2070 60.6548 38.5733 177.3467 105 I 3.7634 7.4350 119.5475 64.7020 36.9246 177.6111 106 D 4.3787 7.9690 118.1767 57.6215 40.8277 178.3987 107 I 3.7301 7.3062 118.6646 64.5437 37.4390 178.3590 108 V 3.7460 9.3597 119.1313 65.9001 31.2167 177.4995 109 D 4.3811 9.7990 118.1628 57.1550 41.1277 178.1672 110 L 4.0577 8.1092 120.5765 58.8846 40.2819 179.6073 111 V 3.4465 7.8074 119.0308 65.6259 31.2282 177.9379 112 K 4.0258 7.5508 117.2339 59.4946 31.9359 178.8716 113 K 4.0701 7.9055 118.3473 59.9993 32.3626 177.7813 114 Y 3.9373 7.7434 115.3050 58.7812 38.2488 176.1294 115 A 4.5065 8.0509 123.3118 50.3956 20.6614 176.3876 116 D 4.4444 8.5926 118.4400 54.6578 41.8310 177.6600 117 E 4.0115 8.8719 123.2663 59.2156 30.0084 179.0180 118 K 3.9038 9.4192 121.3208 59.0869 32.6571 178.5580 119 A 4.1858 8.0070 120.7755 54.9198 18.1630 179.6830 120 G 3.6789 8.0400 104.4090 47.9188 0.0000 176.0294 121 K 4.0104 7.6356 119.9472 59.4152 32.4022 178.9338 122 F 4.2477 8.2279 120.4334 61.0102 39.4699 177.1660 123 V 3.5583 8.6568 118.6570 65.8410 31.4428 177.7984 124 N 4.3500 8.3117 116.8369 55.9255 37.0442 177.2674 125 G 3.5584 7.5398 107.2110 47.3296 0.0000 175.7291 126 V 3.4766 7.5558 122.4492 63.8214 31.2454 178.1565 127 L 3.6184 7.3623 120.9255 58.1669 42.0026 179.1949 128 S 4.0439 7.7164 114.3743 61.2899 62.7371 176.3982 129 A 3.5871 7.4948 123.2311 55.2078 17.9587 179.7716 130 I 3.7150 7.5821 117.8593 64.3742 37.0854 177.7893 131 Y 4.1066 7.9347 120.0318 60.7968 38.1393 178.1160 132 K 3.8632 8.2018 119.8091 59.5576 32.3133 178.5740 133 A 4.3353 7.9523 121.8653 54.5365 18.2203 178.9638 134 Y 4.0107 8.3159 118.8617 60.9650 38.7197 178.2565 135 I 3.2942 7.0084 112.3405 64.1966 37.5407 177.6490 136 T 4.0112 7.3196 109.9991 64.0147 68.7642 176.0844 137 S 4.3382 8.1599 113.5910 57.4323 62.7397 175.1818 138 S 2.9438 7.1210 107.1297 60.4426 62.8165 174.8820 139 K 4.2227 5.6600 113.4729 56.1077 36.2759 173.2205 140 E 4.3760 8.7418 122.1530 55.0083 31.8028 175.1047 141 E 3.6005 8.1620 116.5915 56.4637 27.1010 173.7882 142 K 4.2660 7.9990 121.7759 54.4753 33.1941 175.5236 143 P 4.3656 0.0000 0.0000 62.6350 31.9636 176.1439 144 S 4.2446 8.6439 116.1587 60.4840 62.0973 174.3990 145 L 4.3824 8.0634 118.5488 53.4965 47.7318 177.8001 146 K 3.4567 9.0316 116.5758 55.4400 31.4040 175.1696 147 S 3.6522 9.1070 113.9028 59.4450 62.1850 171.0867 148 E 4.1690 7.9272 122.5966 56.9974 29.1791 176.4545 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 4.48 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 2 R 8.13 3.98 0.00 1.87 1.73 0.00 3.08 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 3 Y 7.83 4.20 0.00 3.24 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 4 R 6.02 3.38 0.00 1.41 1.13 0.00 2.53 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.27 0.00 5 K 7.75 3.92 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.51 7.81 6 G 7.93 3.63 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 0.00 0.00 0.00 7 A 8.09 4.23 1.69 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 8 R 8.17 4.02 0.00 2.09 2.11 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 9 D 8.05 4.46 0.00 2.82 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 10 T 8.39 3.89 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 1.41 0.00 0.00 11 A 7.98 4.06 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 12 F 8.00 4.18 0.00 3.30 3.36 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 13 L 6.28 2.59 0.00 1.13 0.94 0.56 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 V 6.65 3.19 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 0.58 0.00 0.00 0.19 0.00 0.00 15 L 7.57 4.13 0.00 1.81 1.74 0.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.25 4.58 0.00 3.07 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 17 R 8.12 4.04 0.00 2.07 1.97 0.00 3.35 0.00 0.00 2.98 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 18 W 8.04 3.74 0.00 3.52 3.25 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 19 D 7.84 4.49 0.00 2.43 2.54 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 20 L 7.48 4.16 0.00 1.55 1.66 0.70 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.48 4.17 0.00 1.64 1.83 0.00 3.40 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 22 G 7.42 2.41 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 0.00 23 E 7.35 4.48 0.00 1.83 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 2.06 2.26 0.00 24 N 8.38 4.21 0.00 2.77 2.80 0.00 0.00 6.92 7.76 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 25 P 0.00 4.56 0.00 2.29 2.18 0.00 3.79 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 26 G 8.06 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 4.17 0.00 2.14 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 0.00 2.34 2.39 0.00 28 L 8.05 4.02 0.00 1.77 1.72 1.04 0.98 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 29 F 8.36 4.19 0.00 3.48 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 30 K 8.21 3.87 0.00 2.01 1.99 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 31 E 8.29 3.86 0.00 2.11 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 0.00 2.30 2.31 0.00 32 V 7.73 3.63 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 0.93 0.00 0.00 0.95 0.00 0.00 33 V 7.52 3.40 1.67 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 0.31 0.00 0.00 0.47 0.00 0.00 34 E 7.40 4.06 0.00 2.12 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 0.00 2.30 2.48 0.00 35 E 7.33 4.24 0.00 2.00 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 2.39 0.00 36 K 8.21 4.31 0.00 1.87 1.81 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.46 7.81 37 N 8.62 4.73 0.00 2.73 2.84 0.00 0.00 7.16 7.46 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 38 I 7.88 3.71 1.87 0.00 0.00 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 1.67 0.81 1.06 0.00 0.00 39 K 7.71 3.81 0.00 1.91 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.38 7.81 40 N 8.18 4.26 0.00 2.82 2.75 0.00 0.00 6.45 8.29 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 41 K 8.58 3.90 0.00 1.84 1.82 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.69 7.81 42 D 8.10 4.30 0.00 2.22 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 0.00 0.00 0.00 43 A 8.11 4.20 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.03 4.04 0.00 2.96 3.10 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 E 8.37 3.20 0.00 1.85 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 2.15 2.06 0.00 46 Y 8.32 3.86 0.00 3.30 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 47 A 8.68 4.44 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 3.95 0.00 1.25 1.67 0.00 1.52 0.00 0.00 1.48 0.00 0.00 3.25 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.50 7.81 49 K 7.39 3.80 0.00 1.60 1.58 0.00 1.73 0.00 0.00 1.36 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.33 7.81 50 L 7.66 4.05 0.00 1.96 1.83 0.98 1.01 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 51 V 7.99 3.68 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 52 D 8.12 4.33 0.00 2.97 2.75 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 0.00 53 T 7.40 3.87 4.37 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 1.26 0.00 0.00 54 A 8.03 3.86 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 55 V 7.46 3.25 2.13 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 0.96 0.00 0.00 0.94 0.00 0.00 56 R 7.68 4.03 0.00 1.91 2.14 0.00 3.44 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 57 H 8.35 4.76 0.00 3.36 3.31 0.00 5.67 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 6.80 3.38 1.53 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.81 0.59 0.00 0.00 59 E 8.09 4.03 0.00 2.07 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 2.43 2.33 0.00 60 E 8.20 3.89 0.00 1.53 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 2.38 2.34 0.00 61 I 7.95 3.72 1.91 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.43 0.74 0.00 0.00 62 D 8.03 4.35 0.00 2.80 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 63 S 8.04 4.10 0.00 3.89 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 64 I 8.12 3.76 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 1.00 0.00 0.00 65 I 8.22 3.85 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 1.01 0.00 0.00 66 E 8.66 3.96 0.00 2.17 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 2.31 2.38 0.00 67 K 8.01 3.72 0.00 1.93 1.84 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 68 H 7.68 4.49 0.00 3.03 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.61 4.06 0.00 1.91 1.89 1.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.63 3.49 0.00 0.79 1.25 0.00 1.00 0.00 0.00 1.42 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.05 1.13 7.81 71 G 8.35 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 0.00 0.00 0.00 72 W 7.45 4.68 0.00 3.55 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 73 S 8.46 4.83 0.00 3.86 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 0.00 74 I 8.64 3.73 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.95 0.00 0.00 75 D 8.33 4.26 0.00 2.66 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 76 R 8.90 2.92 0.00 1.54 1.63 0.00 2.21 0.00 0.00 2.25 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.18 0.00 77 L 8.23 4.47 0.00 1.43 1.45 0.77 0.76 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 78 G 7.79 3.75 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 0.00 0.00 0.00 0.00 79 Y 8.91 3.98 0.00 3.18 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 80 V 8.58 4.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.18 0.00 0.00 81 E 8.45 4.28 0.00 2.12 2.18 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 2.52 2.40 0.00 82 R 7.55 4.08 0.00 1.74 2.26 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 83 N 8.26 4.51 0.00 3.04 3.03 0.00 0.00 6.87 7.17 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 84 A 9.20 4.15 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 85 L 8.81 3.90 0.00 2.01 1.74 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.76 3.83 0.00 1.92 1.82 0.00 3.11 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 87 L 7.92 4.10 0.00 1.81 1.87 1.00 0.55 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 88 G 8.15 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 0.00 0.00 0.00 89 V 7.75 3.66 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 0.70 0.00 0.00 0.91 0.00 0.00 90 A 7.78 3.43 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 91 E 8.65 3.80 0.00 2.33 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 2.38 2.41 0.00 92 L 7.72 3.20 0.00 2.10 1.70 1.14 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.83 4.31 1.15 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.62 0.00 0.00 94 F 7.72 4.01 0.00 3.22 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 95 L 7.98 4.43 0.00 1.69 1.79 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.05 4.68 0.00 1.76 2.27 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.34 7.81 97 S 8.74 5.38 0.00 4.02 3.25 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 98 K 8.84 3.64 0.00 1.87 1.93 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.47 7.81 99 E 8.42 3.70 0.00 2.02 1.80 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 2.27 2.20 0.00 100 P 0.00 3.74 0.00 2.12 2.18 0.00 3.49 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 101 G 7.70 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.64 3.88 0.00 1.72 1.89 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 103 V 7.38 3.42 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 0.71 0.00 0.00 0.86 0.00 0.00 104 F 6.88 4.39 0.00 3.18 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 0.00 105 I 7.43 3.76 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.13 0.92 0.00 0.00 106 D 7.97 4.38 0.00 2.80 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 0.00 107 I 7.31 3.73 2.23 0.00 0.00 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 1.55 1.01 0.98 0.00 0.00 108 V 9.36 3.75 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 1.03 0.00 0.00 0.99 0.00 0.00 109 D 9.80 4.38 0.00 2.97 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 0.00 110 L 8.11 4.06 0.00 2.21 2.18 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.81 3.45 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 1.01 0.00 0.00 0.82 0.00 0.00 112 K 7.55 4.03 0.00 1.91 1.88 0.00 2.00 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.68 7.81 113 K 7.91 4.07 0.00 1.83 1.88 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.48 7.81 114 Y 7.74 3.94 0.00 2.95 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 0.00 115 A 8.05 4.51 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 0.00 116 D 8.59 4.44 0.00 2.70 2.59 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 0.00 117 E 8.87 4.01 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 118 K 9.42 3.90 0.00 1.78 1.89 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.41 7.81 119 A 8.01 4.19 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.04 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 0.00 121 K 7.64 4.01 0.00 1.98 1.94 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.48 7.81 122 F 8.23 4.25 0.00 3.17 3.23 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 0.00 123 V 8.66 3.56 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 1.00 0.00 0.00 1.10 0.00 0.00 124 N 8.31 4.35 0.00 3.08 3.16 0.00 0.00 7.07 6.56 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 0.00 125 G 7.54 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 0.00 126 V 7.56 3.48 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 0.00 0.00 0.62 0.00 0.00 0.81 0.00 0.00 127 L 7.36 3.62 0.00 1.71 0.95 0.11 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.72 4.04 0.00 3.99 3.87 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 0.00 129 A 7.49 3.59 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.58 3.72 1.98 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 1.50 0.52 0.98 0.00 0.00 131 Y 7.93 4.11 0.00 3.17 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 0.00 132 K 8.20 3.86 0.00 2.04 1.89 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 133 A 7.95 4.34 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 0.00 134 Y 8.32 4.01 0.00 3.01 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 0.00 135 I 7.01 3.29 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.54 0.00 0.00 136 T 7.32 4.01 4.16 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 1.18 0.00 0.00 137 S 8.16 4.34 0.00 3.86 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 0.00 138 S 7.12 2.94 0.00 3.59 3.43 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 0.00 139 K 5.66 4.22 0.00 1.61 1.53 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.36 7.81 140 E 8.74 4.38 0.00 1.92 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 2.14 2.15 0.00 141 E 8.16 3.60 0.00 2.00 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 2.19 2.35 0.00 142 K 8.00 4.27 0.00 1.77 1.71 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.40 7.81 143 P 0.00 4.37 0.00 2.16 2.04 0.00 3.79 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 1.98 1.94 0.00 144 S 8.64 4.24 0.00 3.84 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 0.00 145 L 8.06 4.38 0.00 1.60 1.62 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 146 K 9.03 3.46 0.00 1.88 1.60 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.34 7.81 147 S 9.11 3.65 0.00 3.96 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 0.00 148 E 7.93 4.17 0.00 2.04 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 2.34 2.47 0.00