NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3821 8.2893 120.3494 55.5202 32.0829 174.0089 2 N 4.4881 8.0479 121.1347 50.4999 37.8794 171.2605 3 E 3.9844 9.3214 125.3825 56.9770 29.2348 178.3097 4 L 4.4072 8.1400 124.4665 53.4037 40.6365 176.0164 5 E 4.5233 8.0249 123.2872 53.5665 32.0642 175.8088 6 G 3.7899 8.1413 112.5570 45.2297 0.0000 172.2311 7 Y 4.7558 8.8725 117.2272 56.0922 40.1758 176.8431 8 V 4.0833 8.5748 123.6793 63.4170 32.5392 177.5303 9 T 4.2159 8.1528 117.2827 66.0678 68.8496 174.9546 10 K 4.3987 7.9543 120.1273 56.6129 32.5679 177.2540 11 A 4.3143 8.1805 123.7349 53.5960 19.1062 182.1012 12 Q 3.4669 7.7338 111.7686 58.0002 31.5181 180.1936 13 S 4.1055 8.0074 110.8694 59.9192 63.1661 174.2758 14 F 4.2899 8.5540 119.8769 56.4693 39.9157 174.5168 15 R 4.5782 8.3400 121.6377 54.7111 32.2419 174.2956 16 F 5.7715 8.9467 122.7523 54.6884 44.0419 173.4475 17 A 4.7300 8.3114 120.1184 50.5052 22.4528 175.0215 18 I 4.8185 8.9591 122.8354 59.4443 40.4387 174.9858 19 V 4.6008 8.7123 125.6587 61.1956 34.2982 174.6097 20 V 5.2912 8.8324 120.7173 58.3599 35.2745 174.6664 21 A 5.6861 8.4445 125.5242 50.6088 19.5355 177.8583 22 R 4.2522 9.0573 121.6868 58.8180 30.7165 176.6570 23 F 4.0768 8.2535 119.9946 59.7489 39.7796 174.1991 24 N 4.3236 8.4232 123.4775 54.4089 36.2466 176.0423 25 E 4.4847 8.0154 121.6148 59.3306 29.3964 177.6281 26 F 4.0224 8.3598 118.7339 60.9540 39.4285 176.4050 27 V 4.1341 8.5311 117.2017 65.0354 32.0729 177.5739 28 T 3.8601 8.0035 109.0681 65.0959 68.3009 175.3613 29 R 4.0553 8.5420 122.0653 59.3692 29.9318 178.1426 30 R 3.8169 7.9716 116.7586 59.3157 30.1494 178.1878 31 L 3.8559 8.2538 120.1739 58.6168 41.9497 178.6979 32 M 3.8654 8.6333 117.9182 58.8585 32.1626 177.6612 33 E 4.0754 8.6829 119.1464 59.6270 29.5480 179.9064 34 G 3.4776 8.3545 105.4453 47.6944 0.0000 175.3310 35 A 3.6663 7.8130 124.0703 54.8193 18.4389 178.8628 36 L 4.0898 8.2715 118.7708 58.6032 42.0357 178.2921 37 D 4.4009 8.5740 117.7127 58.1433 41.1333 178.8141 38 T 3.9003 8.0578 116.0220 66.9298 68.1949 176.0805 39 F 4.2953 7.6062 118.0943 60.7324 39.2359 177.4031 40 K 4.1688 8.1581 117.1629 59.7327 31.7785 179.0715 41 K 3.8293 8.4745 118.4729 59.2478 32.5853 176.8403 42 Y 4.3046 8.5998 117.4614 58.4080 38.5891 176.1125 43 S 3.7580 8.2899 111.4704 58.8367 63.4914 172.8323 44 V 3.9811 7.7962 120.2361 62.0903 31.7326 175.7852 45 N 4.7157 8.3096 120.5723 53.7029 40.5808 174.1157 46 E 4.5066 9.0435 126.1205 56.4235 30.7122 174.5139 47 D 4.2910 8.8458 114.1248 59.8071 40.1585 173.9491 48 I 3.5594 6.5232 109.0561 58.4047 39.3947 174.4361 49 D 4.6367 8.7492 124.3826 54.0746 42.2023 175.4088 50 V 4.5857 8.3645 116.3736 59.5520 34.0435 175.0280 51 V 4.3035 8.8401 126.5943 60.9059 33.4546 174.3372 52 W 5.2590 8.8701 128.0468 55.8438 30.3436 176.1573 53 V 4.7131 9.1193 118.0557 58.8556 34.8606 174.8745 54 P 4.3641 0.0000 0.0000 65.4955 32.0895 176.3913 55 G 4.5539 8.2178 108.1455 42.4581 0.0000 173.0672 56 A 3.9575 8.6380 122.5817 55.3447 18.6555 179.4478 57 Y 3.9386 8.3274 116.1013 61.1746 38.7367 178.1399 58 E 4.1597 8.6834 119.2558 59.4401 29.5275 179.3662 59 L 3.9689 7.7719 118.9873 58.7054 41.6928 179.0730 60 G 3.6837 7.8187 101.1328 49.3961 0.0000 175.6276 61 V 3.6679 7.6924 112.1442 63.8256 32.1103 178.6018 62 T 3.8312 7.7760 114.6847 66.6760 68.3022 176.2467 63 A 3.8813 8.6114 122.5779 55.6335 18.3859 179.4031 64 Q 3.8103 8.3892 118.1932 60.0074 29.2040 178.7496 65 A 4.0162 8.8113 122.1209 54.6113 18.0582 179.1161 66 L 4.1257 8.1955 117.9071 57.8067 42.3750 180.2260 67 G 3.8177 8.8570 105.5546 47.9827 0.0000 176.0508 68 K 4.1811 8.1755 120.3383 58.2592 32.3452 178.9582 69 S 4.3550 8.4158 114.2223 58.6502 62.6860 175.1642 70 G 3.9351 7.9515 109.5162 46.3059 0.0000 174.7647 71 K 3.7969 7.8221 119.3744 58.1205 32.2083 176.8758 72 Y 4.7756 7.4070 114.1928 56.5721 40.4083 174.9033 73 H 4.8327 9.1203 118.2717 57.4388 30.0331 175.7448 74 A 4.9563 7.8581 118.0879 50.7233 22.6592 175.0977 75 I 4.8921 8.8354 115.4492 58.9254 40.8194 174.6490 76 V 4.6386 8.8939 125.5371 60.1015 33.9109 174.0962 77 C 5.1415 9.0839 122.8787 57.8681 30.7202 172.8114 78 L 5.5168 8.0192 123.5412 52.1282 44.8704 175.8076 79 G 4.3375 8.0605 107.3413 46.3038 0.0000 171.9114 80 A 5.2100 8.5627 121.4167 50.4948 22.1704 176.2375 81 V 4.2824 9.2115 123.0670 59.9205 33.6594 175.2071 82 V 4.3372 8.4769 119.4374 60.5331 32.6400 177.7069 83 K 3.6262 8.5741 127.2753 56.7319 29.1127 176.9890 84 G 3.7899 8.5708 113.2240 47.2977 0.0000 171.5815 85 D 4.6243 7.8118 117.1053 54.6183 43.4994 177.7176 86 T 4.2756 8.4723 115.0479 61.3174 70.7871 176.0606 87 S 4.9070 8.5421 116.8966 60.0949 62.6335 175.2287 88 H 3.8847 7.9510 122.9039 60.1632 29.4333 175.2829 89 Y 4.1456 8.2012 120.4008 61.3935 38.5555 177.7139 90 D 4.2173 8.4910 118.1729 58.0776 41.0294 178.7079 91 A 3.8581 8.2907 120.1185 55.9267 18.2993 179.4531 92 V 3.6131 8.4124 115.6797 66.0060 31.6479 178.3300 93 V 3.4582 8.0745 117.9355 66.4512 31.2004 177.8038 94 N 4.2364 8.8851 116.4896 56.3143 38.3548 177.2175 95 S 3.9569 8.2469 116.2055 62.0089 62.9902 176.4933 96 A 3.9490 8.5930 123.7813 55.3612 18.0048 179.1573 97 S 4.2248 8.6965 110.7927 61.7696 62.4896 176.4024 98 S 4.1040 8.9133 116.4206 61.6074 62.0269 176.1488 99 G 3.6627 8.5288 108.5000 48.2084 0.0000 175.3857 100 V 3.6010 7.9187 121.1351 65.7933 31.4937 177.3959 101 L 3.9279 8.2168 120.0549 57.6704 41.7899 178.7447 102 S 4.0883 8.8826 114.7567 62.0796 62.9973 176.4923 103 A 4.1377 8.7291 123.2475 55.3813 17.9625 179.4920 104 G 4.3373 8.2714 102.9058 47.8200 0.0000 175.4557 105 L 4.0263 7.7813 120.0501 57.6008 41.8043 179.0838 106 N 4.5091 8.6843 115.7458 56.4047 38.6220 177.3929 107 S 4.3878 8.8037 114.6307 58.9778 63.3619 175.3812 108 G 3.9736 8.0977 109.5108 45.6751 0.0000 172.8362 109 V 4.5499 7.8388 120.1522 59.8417 34.3291 173.2049 110 P 4.5198 0.0000 0.0000 63.2710 32.3124 174.7765 111 C 5.2266 8.5871 122.3448 57.7989 30.6082 173.8193 112 V 3.7334 8.8260 125.9513 62.5574 32.3008 175.3687 113 F 4.1051 8.9958 131.6068 56.4213 37.9206 175.5328 114 G 4.1837 8.7259 118.6738 44.1411 0.0000 170.7131 115 V 4.8005 6.3917 116.9617 59.5803 34.4627 177.2528 116 L 4.4226 8.8917 125.7066 54.1715 42.9120 177.1837 117 T 5.3499 7.9542 112.5023 60.3734 68.2566 173.2273 118 C 4.2777 8.1852 119.1589 60.4849 30.1388 174.4829 119 D 4.5198 9.0004 120.1854 56.0266 39.5851 176.6801 120 N 4.7174 9.5745 116.3546 51.9572 39.4323 175.8425 121 M 3.9754 8.8366 119.7338 59.1987 32.1941 177.8043 122 D 4.3682 8.2264 117.2837 57.7754 41.0158 178.1501 123 Q 3.9929 8.6805 116.8520 59.0080 29.0451 178.5961 124 A 4.1639 7.7234 120.7685 55.5648 18.3481 179.4526 125 I 3.7618 8.0786 118.2078 65.1744 37.2474 178.2780 126 N 4.4194 8.1517 116.7030 56.1279 38.3973 177.5037 127 R 4.0863 8.7049 119.1774 57.5432 30.8544 176.7750 128 A 4.4430 7.5514 123.7001 51.5609 18.3311 177.5786 129 G 3.9134 8.9856 106.1330 45.9155 0.0000 174.0343 130 G 4.2199 7.7345 111.0233 44.0452 0.0000 175.3975 131 K 4.1650 8.3043 119.8373 58.2158 32.5532 177.2392 132 A 4.4618 7.9856 121.5524 51.7979 20.0131 178.4822 133 G 3.7173 8.7618 105.2637 45.2395 0.0000 172.7377 134 N 5.7939 8.0107 118.8426 49.9458 41.3944 175.5813 135 K 4.1234 8.1777 131.1982 59.0378 32.3148 177.9158 136 G 3.9037 8.2484 104.7884 48.1590 0.0000 174.7924 137 A 3.7760 8.3792 123.1436 54.5803 18.0724 179.2653 138 E 3.7328 8.0786 116.8087 59.8556 29.1488 179.8559 139 S 3.9944 8.7359 115.4790 61.5192 62.8474 176.4976 140 A 3.4064 7.5226 123.0996 54.8994 17.9212 179.0517 141 L 3.3493 7.4531 118.5112 58.6740 42.0162 179.4567 142 T 3.6715 7.8888 115.3173 66.4059 68.2922 176.0800 143 A 3.8934 8.0651 123.0046 55.8653 18.2424 179.1241 144 I 3.6133 7.5289 117.6207 64.7278 37.1509 177.7489 145 E 3.8292 8.4168 119.4143 59.9357 29.4396 179.4143 146 M 3.8266 8.4296 118.2903 58.4701 31.8030 178.0681 147 A 3.8529 7.9006 119.6108 55.3518 18.7549 178.9031 148 S 4.2318 7.9573 110.6132 61.6031 62.3836 176.2867 149 L 4.0135 8.3664 122.9746 58.6696 41.7642 179.0263 150 F 4.4496 8.8908 117.4483 59.2345 39.8638 174.7450 151 E 5.1379 7.9644 118.1749 52.8254 28.7443 173.7951 152 H 4.8466 7.8542 129.2373 56.8627 32.3822 174.6755 153 H 4.4600 9.0298 113.7930 57.2703 28.9752 174.9900 154 L 3.9675 7.2715 120.7468 53.0867 41.9755 173.9744 155 K 4.1231 7.5188 120.9642 56.8096 32.7162 175.9804 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 8.29 4.38 0.00 1.98 2.09 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 2.48 2.60 0.00 2 N 8.05 4.49 0.00 2.91 2.79 0.00 0.00 6.33 6.77 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 3 E 9.32 3.98 0.00 1.97 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 2.31 2.33 0.00 4 L 8.14 4.41 0.00 1.69 1.83 0.96 0.96 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 5 E 8.02 4.52 0.00 1.79 1.58 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 2.03 2.17 0.00 6 G 8.14 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.87 4.76 0.00 2.97 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 8 V 8.57 4.08 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 0.96 0.00 0.00 0.89 0.00 0.00 9 T 8.15 4.22 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 1.25 0.00 0.00 10 K 7.95 4.40 0.00 1.95 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.61 1.86 7.81 11 A 8.18 4.31 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 Q 7.73 3.47 0.00 2.31 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.01 4.11 0.00 3.63 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 14 F 8.55 4.29 0.00 2.65 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 0.00 0.00 0.00 0.00 15 R 8.34 4.58 0.00 1.82 1.63 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 16 F 8.95 5.77 0.00 2.47 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 17 A 8.31 4.73 0.14 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 18 I 8.96 4.82 1.74 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 1.18 0.85 0.74 0.00 0.00 19 V 8.71 4.60 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 0.94 0.00 0.00 0.87 0.00 0.00 20 V 8.83 5.29 1.74 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 0.64 0.00 0.00 -0.58 0.00 0.00 21 A 8.44 5.69 1.36 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 0.00 0.00 22 R 9.06 4.25 0.00 1.98 2.15 0.00 3.13 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.38 0.00 23 F 8.25 4.08 0.00 3.32 2.98 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 24 N 8.42 4.32 0.00 3.26 3.07 0.00 0.00 6.72 7.66 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 25 E 8.02 4.48 0.00 2.30 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 2.36 2.28 0.00 26 F 8.36 4.02 0.00 3.11 3.14 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 27 V 8.53 4.13 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 1.03 0.00 0.00 1.15 0.00 0.00 28 T 8.00 3.86 4.35 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 1.35 0.00 0.00 29 R 8.54 4.06 0.00 2.16 1.99 0.00 3.35 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 30 R 7.97 3.82 0.00 2.07 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 31 L 8.25 3.86 0.00 1.88 1.72 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.63 3.87 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.60 0.00 33 E 8.68 4.08 0.00 2.15 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 2.36 2.60 0.00 34 G 8.35 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 35 A 7.81 3.67 1.27 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 0.00 0.00 36 L 8.27 4.09 0.00 2.00 1.71 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.57 4.40 0.00 2.79 2.83 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 38 T 8.06 3.90 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 0.79 0.00 0.00 39 F 7.61 4.30 0.00 3.34 3.08 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 0.00 0.00 0.00 40 K 8.16 4.17 0.00 2.00 1.94 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.68 7.81 41 K 8.47 3.83 0.00 2.05 2.29 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 42 Y 8.60 4.30 0.00 3.33 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 43 S 8.29 3.76 0.00 4.12 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 44 V 7.80 3.98 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 0.90 0.00 0.00 1.30 0.00 0.00 45 N 8.31 4.72 0.00 2.76 2.75 0.00 0.00 6.93 7.53 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 46 E 9.04 4.51 0.00 2.05 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 2.14 2.24 0.00 47 D 8.85 4.29 0.00 2.78 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 48 I 6.52 3.56 1.71 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.54 0.00 0.00 49 D 8.75 4.64 0.00 2.61 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 50 V 8.36 4.59 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 0.60 0.00 0.00 0.91 0.00 0.00 51 V 8.84 4.30 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 1.01 0.00 0.00 0.86 0.00 0.00 52 W 8.87 5.26 0.00 3.25 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 53 V 9.12 4.71 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 0.82 0.00 0.00 1.10 0.00 0.00 54 P 0.00 4.36 0.00 2.20 2.37 0.00 3.72 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 2.32 2.05 0.00 55 G 8.22 4.55 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 0.00 56 A 8.64 3.96 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 57 Y 8.33 3.94 0.00 3.01 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 58 E 8.68 4.16 0.00 2.40 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 2.42 2.50 0.00 59 L 7.77 3.97 0.00 1.76 1.69 0.84 0.56 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 60 G 7.82 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 61 V 7.69 3.67 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 0.82 0.00 0.00 1.04 0.00 0.00 62 T 7.78 3.83 4.38 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 1.21 0.00 0.00 63 A 8.61 3.88 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 64 Q 8.39 3.81 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.81 4.02 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 66 L 8.20 4.13 0.00 1.74 1.69 0.71 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.18 4.18 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.42 4.35 0.00 4.07 4.19 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 70 G 7.95 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 0.00 0.00 0.00 0.00 71 K 7.82 3.80 0.00 0.79 1.19 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.37 7.81 72 Y 7.41 4.78 0.00 2.93 2.98 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 73 H 9.12 4.83 0.00 2.84 3.46 0.00 5.89 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 74 A 7.86 4.96 1.42 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 0.00 0.00 0.00 75 I 8.84 4.89 1.78 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 1.27 1.51 0.77 0.00 0.00 76 V 8.89 4.64 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 0.98 0.00 0.00 0.83 0.00 0.00 77 C 9.08 5.14 0.00 2.68 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 78 L 8.02 5.52 0.00 1.39 1.40 0.79 0.65 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 79 G 8.06 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.56 5.21 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 81 V 9.21 4.28 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 0.83 0.00 0.00 0.87 0.00 0.00 82 V 8.48 4.34 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 0.76 0.00 0.00 1.07 0.00 0.00 83 K 8.57 3.63 0.00 0.79 1.43 0.00 0.86 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 0.63 7.81 84 G 8.57 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.81 4.62 0.00 2.63 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 86 T 8.47 4.28 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 87 S 8.54 4.91 0.00 4.29 4.21 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 88 H 7.95 3.88 0.00 3.25 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.20 4.15 0.00 3.12 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 90 D 8.49 4.22 0.00 2.91 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 91 A 8.29 3.86 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 92 V 8.41 3.61 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 0.94 0.00 0.00 0.99 0.00 0.00 93 V 8.07 3.46 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 0.88 0.00 0.00 0.17 0.00 0.00 94 N 8.89 4.24 0.00 2.84 2.79 0.00 0.00 7.05 5.83 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 95 S 8.25 3.96 0.00 3.69 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.59 3.95 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 97 S 8.70 4.22 0.00 3.72 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 98 S 8.91 4.10 0.00 3.80 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 99 G 8.53 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 0.00 0.00 0.00 100 V 7.92 3.60 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 1.10 0.00 0.00 1.02 0.00 0.00 101 L 8.22 3.93 0.00 1.83 1.72 0.89 0.83 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 0.00 102 S 8.88 4.09 0.00 3.98 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 0.00 103 A 8.73 4.14 1.36 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 0.00 0.00 104 G 8.27 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.78 4.03 0.00 1.82 1.76 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.68 4.51 0.00 2.70 2.90 0.00 0.00 7.19 7.80 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 0.00 107 S 8.80 4.39 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.10 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 0.00 0.00 0.00 109 V 7.84 4.55 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 1.07 0.00 0.00 1.11 0.00 0.00 110 P 0.00 4.52 0.00 1.95 1.74 0.00 3.71 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 1.32 1.37 0.00 111 C 8.59 5.23 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.83 3.73 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 0.84 0.00 0.00 0.88 0.00 0.00 113 F 9.00 4.11 0.00 3.05 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 0.00 114 G 8.73 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 0.00 115 V 6.39 4.80 1.78 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 -0.82 0.00 0.00 0.71 0.00 0.00 116 L 8.89 4.42 0.00 1.63 1.66 0.95 0.30 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 0.00 117 T 7.95 5.35 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 1.27 0.00 0.00 118 C 8.19 4.28 0.00 2.97 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 0.00 119 D 9.00 4.52 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 9.57 4.72 0.00 2.89 2.91 0.00 0.00 6.77 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 0.00 121 M 8.84 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 122 D 8.23 4.37 0.00 2.74 2.90 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 0.00 123 Q 8.68 3.99 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 124 A 7.72 4.16 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 0.00 125 I 8.08 3.76 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.18 1.02 0.00 0.00 126 N 8.15 4.42 0.00 3.00 2.87 0.00 0.00 7.03 7.54 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 0.00 127 R 8.70 4.09 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.55 4.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.99 3.91 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 0.00 0.00 0.00 130 G 7.73 4.22 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 0.00 0.00 0.00 131 K 8.30 4.17 0.00 1.85 1.95 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.99 4.46 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 0.00 133 G 8.76 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.01 5.79 0.00 2.72 2.60 0.00 0.00 6.78 6.79 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 0.00 135 K 8.18 4.12 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.25 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 0.00 137 A 8.38 3.78 1.21 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 0.00 0.00 138 E 8.08 3.73 0.00 2.12 1.94 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 2.26 2.45 0.00 139 S 8.74 3.99 0.00 3.82 3.79 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 0.00 140 A 7.52 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.45 3.35 0.00 1.42 1.63 0.71 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.89 3.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 143 A 8.07 3.89 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 0.00 144 I 7.53 3.61 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.48 0.92 0.00 0.00 145 E 8.42 3.83 0.00 1.93 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 2.24 2.31 0.00 146 M 8.43 3.83 0.00 1.65 2.06 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 2.47 2.70 0.00 147 A 7.90 3.85 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 0.00 148 S 7.96 4.23 0.00 3.82 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 0.00 149 L 8.37 4.01 0.00 1.85 2.03 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.89 4.45 0.00 3.43 3.14 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 0.00 151 E 7.96 5.14 0.00 2.24 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 0.00 2.40 2.37 0.00 152 H 7.85 4.85 0.00 3.37 3.68 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 9.03 4.46 0.00 3.33 3.73 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.27 3.97 0.00 1.74 1.61 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.52 4.12 0.00 1.83 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.41 7.81