NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2241 8.1633 120.2944 54.6785 33.1335 174.2602 2 K 3.9045 8.5234 126.4419 56.2539 32.5165 175.8000 3 G 3.9455 8.5529 113.8199 44.9264 0.0000 171.7839 4 D 4.6414 8.4484 119.3229 54.1408 42.0056 177.1822 5 T 3.8586 8.8583 122.7919 66.8646 68.5265 176.6682 6 K 3.8058 8.1616 120.9087 59.2255 32.2338 178.8255 7 V 3.9013 8.6060 118.8810 66.0992 31.4841 178.0049 8 I 3.7435 7.8231 119.5026 64.5616 36.9019 178.0587 9 N 4.2616 8.2953 117.2831 56.4664 38.3057 177.0013 10 Y 4.1042 8.0501 117.9833 61.1441 38.0442 178.5539 11 L 3.8736 8.4710 120.1201 58.0675 41.7009 179.3560 12 N 4.2619 8.6748 116.4955 56.1277 38.2187 177.3769 13 K 3.8524 7.9837 120.2156 59.4437 32.6816 178.4481 14 L 3.9843 8.0958 119.6097 57.6579 41.4160 178.9673 15 L 3.9677 7.8506 120.5788 58.4587 41.7711 179.2033 16 G 3.6858 8.2418 105.4480 48.0137 0.0000 175.3474 17 N 4.3674 8.0995 118.4828 56.2782 38.6146 177.4330 18 E 4.1159 8.1918 119.7766 59.2531 29.7042 179.1501 19 L 4.3173 8.3771 120.1055 58.2198 40.4166 179.7539 20 V 3.6268 7.6836 120.6580 64.6024 31.4132 178.0941 21 A 3.7962 7.9845 121.5286 54.9052 18.3155 179.6048 22 I 3.7614 8.2615 118.5864 64.7054 37.1210 178.5128 23 N 4.3950 7.7655 116.5195 56.3096 38.4143 177.3298 24 Q 3.8320 8.3032 121.2914 59.4165 29.0615 178.0728 25 Y 4.3582 8.2532 118.0393 60.9261 37.9290 178.0507 26 F 3.8578 8.3226 121.3455 61.0743 39.5166 176.6437 27 L 3.9304 8.2696 120.1601 58.6856 41.8070 178.3723 28 H 3.7520 8.2469 115.7749 58.8822 28.6146 177.2147 29 A 4.1580 8.3277 122.5429 55.6841 18.1553 179.9458 30 R 3.7859 7.7488 115.5393 58.6702 30.1108 179.2878 31 M 3.4410 7.6649 119.2238 58.1446 31.8999 178.4757 32 F 4.5045 7.6271 118.1824 60.5055 39.1441 177.5874 33 K 3.8871 8.2980 119.3585 59.5949 31.7900 177.9410 34 N 4.2341 7.8849 115.9027 56.8269 38.9065 176.4101 35 W 4.7312 7.8651 117.4807 57.9440 29.2584 177.2715 36 G 4.0214 8.1785 107.4513 45.6010 0.0000 175.0093 37 L 4.4014 8.0662 121.8221 52.9777 38.1571 177.1219 38 K 3.8245 7.9528 122.9950 60.0875 32.4602 177.3310 39 R 3.9406 8.3771 118.8987 59.0915 29.9110 178.3845 40 L 4.1197 7.9367 119.0030 57.2372 41.6537 178.6664 41 N 4.5150 8.1850 116.6405 56.7984 38.9570 176.2658 42 D 4.3000 8.1347 120.2062 57.5293 40.9375 179.2237 43 V 3.3418 7.4746 118.1530 66.0633 31.4342 178.0016 44 E 3.7057 8.3627 118.4428 59.0854 29.2947 178.6846 45 Y 3.9053 8.0588 119.8047 61.1392 38.9225 178.0242 46 H 4.2157 8.0766 116.7010 58.5253 28.6041 177.6353 47 E 3.6927 7.9216 120.8885 58.7151 29.1457 178.8956 48 S 4.1452 7.9936 113.7952 61.5318 62.3953 176.3320 49 I 3.5510 7.2910 122.1828 64.2655 36.8940 177.5413 50 D 4.2412 7.8137 118.7944 57.8023 40.9372 178.4869 51 E 4.1640 8.4556 118.8993 59.6426 29.3390 179.4495 52 M 4.0624 8.0320 118.8616 58.2725 32.0251 178.7594 53 K 3.9000 8.1604 118.7212 59.7147 32.2112 178.9380 54 H 4.0696 8.0487 115.9289 58.8468 28.6378 177.4394 55 A 4.2312 8.2332 122.4999 55.4614 18.1464 178.8844 56 D 4.3290 8.2688 116.4657 57.7897 41.3280 178.9143 57 R 3.8539 7.8507 118.1761 59.4351 30.0209 178.5813 58 Y 4.3462 7.7253 116.3847 61.2683 37.8971 178.7692 59 I 3.7644 8.2710 120.9959 64.7234 37.2708 178.4448 60 E 4.0858 8.6150 119.4117 58.8716 29.2150 179.5268 61 R 4.0138 7.8944 118.7301 59.4952 30.3211 178.2944 62 I 3.7535 8.4663 119.9537 64.6470 37.1651 178.3664 63 L 4.0932 8.1455 119.5894 57.8163 41.2016 179.4493 64 F 4.4217 8.0563 119.7433 61.1471 39.6804 176.4166 65 L 4.2797 8.3117 117.9083 53.5983 41.1598 176.9342 66 E 3.5804 7.8480 117.4356 57.5190 27.1403 174.5556 67 G 3.9527 8.3449 107.5936 44.0139 0.0000 173.8452 68 L 4.5241 8.0073 118.9880 51.9804 42.0676 175.2279 69 P 4.3928 0.0000 0.0000 62.5498 31.7353 175.8742 70 N 4.7029 9.5272 122.5676 52.4667 38.7010 173.8502 71 L 4.6464 8.3667 124.7291 54.6024 42.2400 177.3684 72 Q 4.2030 8.5217 122.5850 57.5380 29.5782 175.7982 73 D 4.6989 8.0344 117.2436 52.7287 41.9862 175.2379 74 L 4.5773 8.2817 125.3795 52.7188 44.1076 176.3822 75 G 3.7766 8.4775 115.2622 44.7666 0.0000 171.9429 76 K 4.1010 8.3064 120.6728 55.5145 32.1925 176.5507 77 L 4.0171 8.4133 127.1757 54.6448 42.1256 176.1982 78 N 4.8407 8.7712 121.4823 52.0110 40.3315 174.0613 79 I 3.8993 8.5951 126.8778 63.7872 37.7838 178.1393 80 G 4.1785 8.2447 101.9416 45.9338 0.0000 172.5882 81 E 4.7590 8.7364 116.4752 55.7598 31.7968 176.3357 82 D 5.0545 7.6942 117.7300 50.3252 43.9632 176.1217 83 V 4.0313 8.5379 119.1823 66.8460 31.3577 177.3850 84 E 3.8691 8.2665 117.9204 59.4211 29.4837 177.9009 85 E 3.9686 8.6502 119.2341 59.8063 29.6283 179.0733 86 M 4.2030 8.4941 117.0252 58.2611 31.5742 178.3647 87 L 4.1419 8.7353 120.6040 57.7253 41.8535 179.5794 88 R 3.9289 8.5549 118.8945 59.2714 30.0510 178.5362 89 S 4.1029 8.1863 113.0608 61.5816 62.4873 175.7577 90 D 4.3095 8.1550 121.5639 57.3330 40.4670 178.7889 91 L 4.0332 8.2385 120.5229 58.1758 42.1954 178.7825 92 A 3.9860 8.1222 120.7128 54.9895 18.2049 179.4830 93 L 3.9134 7.8278 118.4238 58.3599 42.2795 178.8914 94 E 4.0767 8.2873 118.5374 59.4484 29.5163 179.3548 95 L 4.0557 8.2484 119.1713 58.0478 41.7984 179.3928 96 D 4.5284 8.2627 118.9536 57.1830 40.7154 179.0031 97 G 3.6897 8.4140 106.0344 47.2201 0.0000 175.8588 98 A 4.0291 8.0559 123.3222 54.7887 18.4798 179.2553 99 K 3.7664 7.8875 117.8311 60.0648 32.1980 178.5563 100 N 4.3740 8.0753 116.1249 56.3530 38.3682 177.3850 101 L 3.9787 8.1165 120.3168 57.8578 41.6951 179.7286 102 R 3.8917 8.4232 118.3932 59.1322 29.8585 178.6962 103 E 3.8249 8.0790 118.5914 59.2319 29.6334 178.6545 104 A 2.7573 7.6731 120.6493 54.8262 18.3684 179.3950 105 I 3.6856 7.9403 118.7482 64.6717 37.3406 178.7709 106 G 3.6295 7.8201 105.8650 47.9384 0.0000 175.1479 107 Y 3.9813 7.6786 121.5858 60.1839 38.9063 177.1011 108 A 3.8028 8.1035 122.1394 55.5379 18.4597 179.0348 109 D 4.0375 7.9020 116.3108 57.4871 41.0338 178.5871 110 S 4.1087 7.4034 112.9986 60.4337 63.2086 175.7353 111 V 3.9119 6.8064 114.2279 60.8063 31.4139 176.0744 112 H 2.9570 7.0178 113.8523 56.5735 27.1139 176.4189 113 D 4.5436 7.2668 121.4711 53.4843 37.8009 176.2188 114 Y 4.2979 7.5415 121.3814 60.3332 38.3599 177.9858 115 V 3.7795 7.8343 119.9444 64.5086 31.8920 178.3009 116 S 4.1588 8.4984 115.8510 61.4458 62.6218 176.6118 117 R 3.8815 8.1054 121.1484 59.5151 29.9035 177.9529 118 D 4.3209 8.2891 117.8808 57.6567 41.2255 177.9208 119 M 4.0122 8.3765 118.9332 58.8871 32.1348 178.0453 120 M 4.1053 8.4185 119.1865 58.4375 32.1233 178.7797 121 I 3.7033 8.0738 120.1697 64.4787 37.3527 178.2982 122 E 3.9656 8.0892 119.1653 59.3650 29.1744 179.4690 123 I 3.5002 7.6514 119.7663 64.3763 37.1987 178.1957 124 L 3.9288 8.1835 121.3623 58.0575 41.8704 178.8725 125 R 3.8896 8.1394 118.7093 59.6286 30.0046 178.2112 126 D 4.3362 7.9447 118.4337 57.3582 40.8104 178.7122 127 E 3.9399 8.3424 119.2641 59.4051 29.4643 178.8230 128 E 4.1119 8.7167 119.9311 59.2270 29.6035 179.0067 129 G 3.7096 7.9446 105.4998 48.3862 0.0000 175.3081 130 H 4.4335 8.0976 119.2401 58.4150 28.6262 177.8636 131 I 3.8117 8.4733 121.9872 64.5589 36.9757 177.5483 132 D 4.4203 8.5200 119.1557 57.3777 40.9549 178.4850 133 W 4.1157 8.3211 128.3205 60.4995 30.8135 177.7287 134 L 3.7852 8.3898 118.9777 58.0113 41.1456 179.4447 135 E 3.9330 8.4793 118.5282 59.7210 29.3858 179.6467 136 T 3.8104 7.9754 115.7302 66.5684 68.5012 176.6334 137 E 3.7971 7.6999 120.3784 59.3879 29.4317 179.3684 138 L 3.7761 7.7366 118.9066 57.9168 41.6209 179.3774 139 D 4.3411 8.0724 118.7008 56.9505 40.6805 178.7836 140 L 4.0180 7.8795 119.8004 57.7724 41.4906 179.3700 141 I 3.4081 7.5235 119.7702 64.4510 36.6809 178.4731 142 Q 3.9881 7.2439 117.3379 58.6105 28.6824 178.4212 143 K 4.1409 7.8752 119.0056 59.0192 32.3294 178.4945 144 M 4.3852 8.2299 114.3007 53.8063 32.3626 176.9907 145 G 4.1181 7.3851 105.8505 45.8931 0.0000 174.6149 146 L 3.8859 8.3838 120.8514 58.1314 42.1766 179.0080 147 Q 3.9934 8.1615 117.4834 59.4884 28.8209 179.0409 148 N 4.3729 8.1561 116.5420 56.2583 38.3705 176.6953 149 Y 3.9579 7.8127 120.1521 60.7175 39.2384 177.7022 150 L 4.1204 8.5085 120.2623 58.0873 41.8282 179.4072 151 Q 3.9524 8.1372 119.0443 59.0304 28.7937 177.7858 152 A 4.1399 7.5925 119.5140 53.6885 18.6148 178.2755 153 Q 4.3003 7.5964 115.7818 55.6502 29.0828 177.5964 154 I 3.8729 7.5460 121.8219 63.6497 37.4107 176.6519 155 R 4.6185 7.5506 117.2941 54.1334 32.0911 175.9477 156 E 4.1444 8.5438 117.0465 56.7139 29.8575 176.5904 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 8.16 4.22 0.00 1.52 1.66 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 2 K 8.52 3.90 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 3 G 8.55 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 0.00 0.00 0.00 4 D 8.45 4.64 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.86 3.86 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 1.18 0.00 0.00 6 K 8.16 3.81 0.00 1.73 1.97 0.00 1.48 0.00 0.00 1.14 0.00 0.00 2.55 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.71 1.02 7.81 7 V 8.61 3.90 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 1.07 0.00 0.00 1.19 0.00 0.00 8 I 7.82 3.74 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 1.55 0.60 0.92 0.00 0.00 9 N 8.30 4.26 0.00 2.62 2.66 0.00 0.00 7.08 7.22 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 10 Y 8.05 4.10 0.00 3.31 2.92 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 0.00 0.00 0.00 11 L 8.47 3.87 0.00 2.03 1.78 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.67 4.26 0.00 2.85 2.83 0.00 0.00 6.71 8.15 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 13 K 7.98 3.85 0.00 1.71 2.03 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.46 7.81 14 L 8.10 3.98 0.00 1.10 1.22 0.92 0.45 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 15 L 7.85 3.97 0.00 1.66 1.85 1.03 1.13 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 16 G 8.24 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 17 N 8.10 4.37 0.00 2.99 2.90 0.00 0.00 7.01 7.00 0.00 0.00 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 E 8.19 4.12 0.00 2.24 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 2.77 2.71 0.00 19 L 8.38 4.32 0.00 1.83 1.95 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.68 3.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.89 0.00 0.00 21 A 7.98 3.80 1.48 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 22 I 8.26 3.76 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.36 0.90 0.00 0.00 23 N 7.77 4.39 0.00 3.01 2.85 0.00 0.00 6.70 8.01 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 24 Q 8.30 3.83 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 25 Y 8.25 4.36 0.00 3.18 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 26 F 8.32 3.86 0.00 3.41 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 27 L 8.27 3.93 0.00 1.94 1.59 0.88 1.27 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 28 H 8.25 3.75 0.00 3.48 3.26 0.00 5.71 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 29 A 8.33 4.16 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 30 R 7.75 3.79 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.62 0.00 31 M 7.66 3.44 0.00 0.95 1.63 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.17 0.00 32 F 7.63 4.50 0.00 3.29 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 33 K 8.30 3.89 0.00 1.96 1.88 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 34 N 7.88 4.23 0.00 2.70 2.72 0.00 0.00 7.36 8.30 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 35 W 7.87 4.73 0.00 3.74 3.19 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 36 G 8.18 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 0.00 0.00 0.00 37 L 8.07 4.40 0.00 2.17 1.68 1.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.82 0.00 1.97 1.84 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.58 7.81 39 R 8.38 3.94 0.00 2.01 2.02 0.00 3.35 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 40 L 7.94 4.12 0.00 1.67 0.93 1.07 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.19 4.51 0.00 3.13 3.01 0.00 0.00 7.21 8.49 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 42 D 8.13 4.30 0.00 2.96 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 43 V 7.47 3.34 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 -0.63 0.00 0.00 0.74 0.00 0.00 44 E 8.36 3.71 0.00 2.20 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 0.00 2.53 3.05 0.00 45 Y 8.06 3.91 0.00 2.95 3.01 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 46 H 8.08 4.22 0.00 3.25 3.23 0.00 5.67 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 47 E 7.92 3.69 0.00 1.32 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 48 S 7.99 4.15 0.00 4.03 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 49 I 7.29 3.55 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.49 0.85 0.00 0.00 50 D 7.81 4.24 0.00 2.93 2.65 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 51 E 8.46 4.16 0.00 2.09 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 0.00 2.73 2.81 0.00 52 M 8.03 4.06 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 53 K 8.16 3.90 0.00 1.85 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.62 7.81 54 H 8.05 4.07 0.00 3.57 3.37 0.00 5.65 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 55 A 8.23 4.23 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 56 D 8.27 4.33 0.00 2.88 2.89 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 57 R 7.85 3.85 0.00 1.81 1.77 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 58 Y 7.73 4.35 0.00 3.23 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 59 I 8.27 3.76 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 0.95 0.00 0.00 60 E 8.62 4.09 0.00 2.01 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 2.35 2.57 0.00 61 R 7.89 4.01 0.00 2.18 2.22 0.00 3.39 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 62 I 8.47 3.75 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 0.98 0.00 0.00 63 L 8.15 4.09 0.00 2.08 1.80 0.95 0.92 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 64 F 8.06 4.42 0.00 3.03 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 65 L 8.31 4.28 0.00 1.67 1.60 1.03 0.72 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 66 E 7.85 3.58 0.00 2.08 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 2.17 2.36 0.00 67 G 8.34 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 0.00 0.00 0.00 68 L 8.01 4.52 0.00 1.62 1.63 0.92 1.00 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 69 P 0.00 4.39 0.00 2.06 2.03 0.00 3.67 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 2.06 2.11 0.00 70 N 9.53 4.70 0.00 2.60 2.82 0.00 0.00 7.11 7.70 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 71 L 8.37 4.65 0.00 1.63 1.63 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.52 4.20 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.03 4.70 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 74 L 8.28 4.58 0.00 1.52 1.50 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.48 3.78 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 0.00 0.00 0.00 76 K 8.31 4.10 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.41 4.02 0.00 1.64 1.57 0.94 0.97 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 78 N 8.77 4.84 0.00 2.63 2.69 0.00 0.00 7.22 8.11 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 79 I 8.60 3.90 1.89 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 1.34 0.93 0.93 0.00 0.00 80 G 8.24 4.18 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 0.00 0.00 0.00 81 E 8.74 4.76 0.00 2.00 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 2.27 2.31 0.00 82 D 7.69 5.05 0.00 2.81 2.68 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 83 V 8.54 4.03 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 1.19 0.00 0.00 1.25 0.00 0.00 84 E 8.27 3.87 0.00 2.03 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 2.32 2.26 0.00 85 E 8.65 3.97 0.00 2.42 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 0.00 2.35 2.38 0.00 86 M 8.49 4.20 0.00 2.32 1.78 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.94 0.00 87 L 8.74 4.14 0.00 1.99 1.79 1.24 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.55 3.93 0.00 2.06 1.94 0.00 3.10 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.19 4.10 0.00 4.09 4.06 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 90 D 8.15 4.31 0.00 3.17 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 91 L 8.24 4.03 0.00 1.84 1.86 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.12 3.99 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 93 L 7.83 3.91 0.00 1.92 1.82 0.90 0.85 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 94 E 8.29 4.08 0.00 2.28 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 0.00 2.57 2.74 0.00 95 L 8.25 4.06 0.00 2.03 1.74 0.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.26 4.53 0.00 2.84 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 97 G 8.41 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 98 A 8.06 4.03 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 99 K 7.89 3.77 0.00 2.04 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 100 N 8.08 4.37 0.00 3.01 2.90 0.00 0.00 7.12 6.49 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 0.00 101 L 8.12 3.98 0.00 2.01 1.73 0.98 0.95 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 0.00 102 R 8.42 3.89 0.00 1.95 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 103 E 8.08 3.82 0.00 2.07 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 2.37 2.38 0.00 104 A 7.67 2.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.69 2.05 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 1.46 0.59 0.91 0.00 0.00 106 G 7.82 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 0.00 107 Y 7.68 3.98 0.00 3.11 3.01 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 0.00 108 A 8.10 3.80 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 0.00 109 D 7.90 4.04 0.00 2.74 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 0.00 110 S 7.40 4.11 0.00 3.99 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 0.00 111 V 6.81 3.91 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 0.52 0.00 0.00 0.58 0.00 0.00 112 H 7.02 2.96 0.00 3.19 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.27 4.54 0.00 2.64 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 0.00 114 Y 7.54 4.30 0.00 3.12 2.96 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 0.00 115 V 7.83 3.78 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 116 S 8.50 4.16 0.00 4.13 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 0.00 117 R 8.11 3.88 0.00 1.89 2.20 0.00 3.32 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.29 4.32 0.00 3.05 2.81 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 0.00 119 M 8.38 4.01 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.42 4.11 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.80 0.00 121 I 8.07 3.70 2.01 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 1.53 0.78 0.92 0.00 0.00 122 E 8.09 3.97 0.00 1.98 1.98 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 2.45 2.48 0.00 123 I 7.65 3.50 1.97 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.72 0.00 0.00 124 L 8.18 3.93 0.00 1.75 1.85 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.14 3.89 0.00 1.92 2.12 0.00 3.15 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 1.63 1.68 0.00 126 D 7.94 4.34 0.00 2.99 2.69 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 0.00 127 E 8.34 3.94 0.00 2.14 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 0.00 2.57 2.53 0.00 128 E 8.72 4.11 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 129 G 7.94 3.71 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 0.00 0.00 0.00 130 H 8.10 4.43 0.00 3.53 3.54 0.00 5.65 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 0.00 131 I 8.47 3.81 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.97 0.00 0.00 132 D 8.52 4.42 0.00 2.94 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 0.00 133 W 8.32 4.12 0.00 3.54 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 0.00 134 L 8.39 3.79 0.00 2.02 1.77 1.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.48 3.93 0.00 2.14 1.98 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 2.33 2.38 0.00 136 T 7.98 3.81 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 1.18 0.00 0.00 137 E 7.70 3.80 0.00 1.57 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 1.47 1.47 0.00 138 L 7.74 3.78 0.00 1.80 1.62 0.89 0.87 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 0.00 139 D 8.07 4.34 0.00 2.77 2.66 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 0.00 140 L 7.88 4.02 0.00 1.92 1.86 0.97 0.65 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 0.00 141 I 7.52 3.41 1.69 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.45 0.69 0.00 0.00 142 Q 7.24 3.99 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 7.88 4.14 0.00 1.74 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.23 4.39 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 145 G 7.39 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.38 3.89 0.00 1.73 1.66 0.93 0.68 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 0.00 147 Q 8.16 3.99 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 148 N 8.16 4.37 0.00 2.99 2.89 0.00 0.00 6.66 7.48 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 0.00 149 Y 7.81 3.96 0.00 3.04 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 0.00 150 L 8.51 4.12 0.00 2.01 1.73 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.14 3.95 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 152 A 7.59 4.14 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 0.00 153 Q 7.60 4.30 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 154 I 7.55 3.87 2.00 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.62 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 156 E 8.54 4.14 0.00 2.10 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 2.26 2.28 0.00