NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4641 8.3044 118.1949 55.1348 32.5766 174.1907 1 V 4.2744 7.9043 118.2598 60.6763 34.4841 173.3709 2 L 4.4332 8.3029 127.0473 53.6777 43.9255 176.7638 3 S 4.5572 8.6267 117.3826 57.6510 65.4151 175.1604 4 E 4.3186 8.8043 122.4256 59.3880 29.4500 179.0036 5 G 3.6315 8.0970 105.4860 47.7464 0.0000 175.4370 6 E 3.8910 8.0273 120.8694 59.0097 29.4940 179.4149 7 W 4.3413 8.0309 118.9298 59.8760 29.0104 178.5539 8 Q 4.1436 8.6249 118.3529 59.0681 28.1151 178.8814 9 L 4.0437 7.9123 119.6937 57.6984 41.6480 179.8546 10 V 3.7069 7.9024 118.1330 66.2475 31.6247 178.2571 11 L 4.2873 8.6809 118.9050 57.6469 40.9848 179.0760 12 H 4.2460 8.6489 119.1918 59.2649 29.8707 177.6996 13 V 3.5178 7.8849 120.6719 64.3233 31.3182 178.1636 14 W 3.9752 8.5881 128.9306 60.0953 30.2807 177.7999 15 A 3.9652 7.9569 120.2635 54.8124 18.0292 179.5192 16 K 3.9415 7.3153 116.9926 59.4252 32.1794 179.4955 17 V 2.8545 7.1802 118.4822 65.9039 31.0188 177.6841 18 E 3.8774 7.6202 115.8792 58.1322 29.2841 178.5448 19 A 4.2134 7.5465 120.5180 53.7123 19.8326 177.6471 20 D 4.6537 7.8755 116.6933 52.0739 42.6263 175.5242 21 V 3.4457 7.9186 122.9982 65.4814 32.0778 176.8058 22 A 4.0521 7.9662 120.2039 55.0565 18.3016 179.6775 23 G 3.7055 8.1954 105.5898 47.8064 0.0000 175.7292 24 H 4.1817 8.2627 118.9982 58.3614 28.6713 178.1561 25 G 3.5888 8.4006 108.0240 47.6378 0.0000 175.5994 26 Q 3.8115 8.0520 121.8079 59.1564 29.1618 177.9079 27 D 4.2808 7.9340 119.8821 57.4302 40.7208 179.1034 28 I 3.6501 7.7468 120.0899 64.4374 37.1308 178.5711 29 L 3.4558 7.6834 119.7958 57.4878 41.2208 179.7181 30 I 3.6512 7.7502 120.0292 64.1575 36.9560 178.3388 31 R 3.7707 7.9295 119.5950 59.2709 29.8258 178.1815 32 L 3.8917 7.8604 120.2002 58.4212 41.9216 179.1095 33 F 4.5853 7.8951 117.5725 60.3353 38.5388 178.0022 34 K 4.0346 8.2002 117.9407 59.5834 32.0703 179.3445 35 S 4.2687 8.0458 114.3589 60.4764 64.1169 174.5515 36 H 4.7306 8.2477 118.4951 51.9985 29.4043 171.8472 37 P 4.5696 0.0000 0.0000 64.5159 31.4879 177.5466 38 E 4.9093 8.4703 117.7608 59.0926 29.5920 179.0994 39 T 3.8295 8.1232 110.7178 64.2907 68.7637 176.2472 40 L 3.8013 8.0124 123.4312 57.8071 41.9844 178.5923 41 E 4.1156 8.2859 118.4968 58.9398 29.1120 178.9710 42 K 4.4068 8.0792 117.0038 57.1820 32.7530 177.0677 43 F 4.5133 8.1661 118.9849 55.5133 38.1773 176.0828 44 D 4.4034 8.3639 126.0678 56.6389 40.9509 178.3208 45 R 3.8888 7.7202 118.2704 57.9936 30.2984 176.5078 46 F 5.0773 8.0836 114.2715 56.4663 40.7253 176.4837 47 K 3.7350 8.3558 121.8402 59.1838 31.8310 176.4595 48 H 4.6067 8.1542 111.4550 55.6254 29.1939 174.9847 49 L 4.1864 7.7565 122.2139 54.7313 41.5912 176.8160 50 K 4.2258 9.2978 124.6875 57.7886 33.0267 177.1824 51 T 4.7318 7.2989 107.4571 58.9519 73.2243 174.2557 52 E 3.9276 8.6070 120.4388 59.0680 29.6508 178.4111 53 A 3.9589 7.9178 120.6253 55.2090 18.2975 179.2939 54 E 3.9341 7.9363 115.9307 59.7022 29.8373 179.1367 55 M 4.1386 8.1288 118.7316 58.4766 31.8364 179.0446 56 K 3.9684 8.1425 117.3028 59.0504 32.2822 178.5966 57 A 4.3831 7.5304 118.4981 52.0858 19.0125 177.2220 58 S 4.2303 7.5260 113.7826 57.5415 62.7362 174.4563 59 E 3.9975 8.8660 129.3444 59.1524 29.4641 178.0401 60 D 4.4166 8.0932 117.8386 57.3355 41.3991 177.7813 61 L 3.2623 7.9838 120.8671 57.7107 42.0699 178.8517 62 K 3.8632 7.8406 119.0991 59.4150 32.1795 178.9582 63 K 4.0148 8.2450 118.8411 59.7790 31.9008 178.8296 64 H 4.4052 8.5928 118.6792 59.2026 29.7956 177.4456 65 G 3.5891 8.3793 107.8644 47.7903 0.0000 175.8161 66 V 3.6066 7.7029 120.0042 66.0673 31.5866 178.1978 67 T 3.8787 7.9348 115.4900 66.6253 68.2656 176.7387 68 V 3.6133 7.9719 120.2016 66.1844 31.5732 178.1933 69 L 4.2491 8.1657 118.6993 57.9065 41.4098 179.6760 70 T 3.9720 8.3720 116.0279 66.5689 68.2975 176.5688 71 A 4.0066 8.1059 122.7240 55.0941 18.3261 179.4931 72 L 3.7467 8.2281 119.1075 58.0498 42.1341 179.3691 73 G 3.3494 8.6074 105.9640 47.6799 0.0000 175.5191 74 A 4.0097 7.7758 122.2200 54.8224 18.6266 179.6426 75 I 3.7858 7.4354 118.1382 64.5853 37.2198 178.6239 76 L 3.9680 7.8414 120.1026 57.6911 41.1709 179.5877 77 K 3.9677 7.7712 116.8206 58.3590 32.2557 178.8112 78 K 3.9572 7.8292 118.5425 56.2067 32.2425 176.8418 79 K 2.0000 8.3160 117.9011 56.4188 29.8224 176.0542 80 G 3.9483 8.0322 106.7176 45.6919 0.0000 174.4930 81 H 4.6265 7.3154 119.2141 55.1035 27.4090 174.6908 82 H 5.3353 7.6027 111.5773 54.1176 29.7662 176.2246 83 E 3.9934 8.5797 121.0017 60.3609 28.7465 178.8518 84 A 4.0212 7.9248 119.9581 54.8736 18.5750 179.0332 85 E 4.0942 8.1492 116.6272 59.2860 29.6251 179.1116 86 L 4.0718 8.1857 120.6210 57.6499 42.1144 178.8375 87 K 3.8929 7.9160 118.7231 59.2332 32.1368 177.4682 88 P 4.3529 0.0000 0.0000 65.5105 31.3394 178.2002 89 L 4.0426 7.5148 117.3337 58.0182 41.9791 178.7319 90 A 4.2401 8.5907 121.2538 55.1320 18.3116 179.4302 91 Q 3.8833 8.2870 118.3604 59.3926 29.1171 178.6716 92 S 4.0317 8.2194 115.3404 61.8151 63.0200 176.1002 93 H 4.1601 8.6430 119.4393 57.9348 28.2393 177.5927 94 A 2.7844 7.9456 122.3179 54.2907 18.4594 178.8969 95 T 3.9624 7.4327 112.2852 64.8697 69.4260 176.3398 96 K 4.0115 7.4577 120.0947 59.1190 32.7153 177.4075 97 H 4.2618 7.9509 114.7863 56.2376 29.4284 175.5396 98 K 3.2280 7.4798 117.2272 56.9775 28.4795 175.0268 99 I 4.3663 8.0193 118.9466 58.5911 38.6001 174.9045 100 P 4.5650 0.0000 0.0000 62.2745 32.1365 177.3341 101 I 3.6195 7.8570 120.1935 64.6533 36.9114 178.4392 102 K 3.5947 7.9698 119.7652 59.9814 31.8402 178.1740 103 Y 4.2601 7.9228 116.5243 60.7707 37.8211 178.1455 104 L 4.2496 7.8543 119.7596 57.5241 41.8020 179.1022 105 E 4.0211 8.0482 118.9013 59.3560 29.4423 179.2164 106 F 4.5424 7.9385 117.8970 60.8553 38.9185 177.6397 107 I 3.8920 8.1458 118.0685 63.8808 37.7507 178.1416 108 S 4.1894 8.1063 116.3746 61.5170 62.6471 176.1309 109 E 4.0298 8.5183 121.8254 59.2564 29.4026 178.7535 110 A 4.0277 8.0312 120.7796 55.1276 18.3985 179.6777 111 I 3.7003 8.0869 118.5071 64.6837 37.1800 178.7514 112 I 3.8293 7.9350 120.6475 64.5190 36.9371 178.0047 113 H 4.1082 8.4746 119.1634 59.3389 29.6758 177.5671 114 V 3.5658 7.9228 120.0132 65.9506 31.2647 177.9915 115 L 3.7679 7.8887 118.8487 57.8346 41.0610 178.8981 116 H 4.3112 7.8891 117.3567 59.3319 29.8695 177.0271 117 S 4.1227 7.8756 113.8946 61.3214 62.3726 175.8155 118 R 4.1166 7.9180 119.0301 57.2264 31.4060 176.3469 119 H 5.0295 8.2297 115.6779 53.6728 29.4771 172.7898 120 P 4.3131 0.0000 0.0000 65.9036 31.5926 179.2638 121 G 3.7159 8.1073 106.1565 47.2573 0.0000 173.6539 122 N 5.0255 8.2489 115.5121 52.9829 39.6349 174.7742 123 F 4.9279 7.8719 119.0212 56.3672 39.5482 174.2443 124 G 3.8974 7.6336 109.2113 43.9650 0.0000 171.8244 125 A 3.8817 8.4138 120.6351 55.3997 18.3143 179.7213 126 D 4.1686 7.9403 116.5485 57.4350 40.9129 178.7121 127 A 3.9235 7.7457 120.8057 55.0767 18.3418 179.3193 128 Q 3.1009 7.7719 118.4108 58.8428 29.0512 178.5917 129 G 3.5237 8.1389 106.7840 47.6685 0.0000 175.5754 130 A 3.8541 7.9629 123.1104 55.0283 18.4035 179.4102 131 M 3.9843 8.2361 117.0220 58.8015 32.2706 177.9252 132 N 4.3313 8.5359 117.6540 56.5594 39.0614 176.7551 133 K 3.8466 8.1302 120.8524 59.3761 32.2623 178.7098 134 A 3.8204 7.9947 121.1511 55.0814 18.2123 179.6531 135 L 4.1248 8.1650 117.5750 57.7838 41.6106 179.5064 136 E 3.9778 8.5593 119.1033 59.1480 29.3156 179.0585 137 L 3.9406 8.1459 120.4819 58.0854 42.1411 178.5601 138 F 4.1581 8.3741 120.5542 61.6912 39.2012 177.3720 139 R 3.4652 8.1995 117.5086 58.8408 29.8224 179.0337 140 K 3.8352 8.2632 119.7696 59.6577 32.3070 178.7255 141 D 4.3473 8.2121 119.3002 57.2923 40.6245 178.8772 142 I 3.4575 7.6119 120.3784 64.0158 37.0750 178.2430 143 A 3.6598 7.9478 121.7694 55.0411 18.2930 179.5799 144 A 3.9593 7.9782 119.2260 55.1983 18.4300 180.0829 145 K 4.0157 7.9345 116.9609 59.6687 32.0805 179.0040 146 Y 4.3957 8.4624 117.5805 61.1818 37.8663 178.8125 147 K 3.9592 8.1064 120.0347 59.7379 32.1272 178.7557 148 E 4.0528 7.9401 117.0402 59.0347 29.4562 178.5406 149 L 4.3707 7.8969 116.7998 55.0830 41.9995 177.6772 150 G 3.9766 8.0136 107.4625 45.5000 0.0000 172.7936 151 Y 4.4563 8.4126 119.2775 59.1024 40.2527 177.4463 152 Q 3.3660 8.3293 116.6290 56.3007 28.2200 173.5534 153 G 2.6962 5.5577 108.2513 44.2410 0.0000 174.0649 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 0 M 8.30 4.46 0.00 2.13 2.12 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 2.47 2.53 0.00 1 V 7.90 4.27 2.10 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.43 0.00 1.05 0.68 0.60 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.63 4.56 0.00 4.05 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 4 E 8.80 4.32 0.00 2.20 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 0.00 2.43 2.52 0.00 5 G 8.10 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 6 E 8.03 3.89 0.00 1.92 1.68 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 2.20 2.25 0.00 7 W 8.03 4.34 0.00 3.60 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 8 Q 8.62 4.14 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 9 L 7.91 4.04 0.00 1.89 1.74 0.88 0.69 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 10 V 7.90 3.71 2.43 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 1.18 0.00 0.00 0.90 0.00 0.00 11 L 8.68 4.29 0.00 1.82 1.82 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.65 4.25 0.00 3.40 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.52 2.44 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 1.06 0.00 0.00 0.89 0.00 0.00 14 W 8.59 3.98 0.00 3.67 3.31 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 15 A 7.96 3.97 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 16 K 7.32 3.94 0.00 1.37 1.68 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 17 V 7.18 2.85 0.96 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 -0.06 0.00 0.00 0.46 0.00 0.00 18 E 7.62 3.88 0.00 1.96 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 2.20 2.00 0.00 19 A 7.55 4.21 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 20 D 7.88 4.65 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.92 3.45 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 1.05 0.00 0.00 0.83 0.00 0.00 22 A 7.97 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.20 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 24 H 8.26 4.18 0.00 3.11 3.24 0.00 5.82 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 25 G 8.40 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 26 Q 8.05 3.81 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 27 D 7.93 4.28 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.75 3.65 1.88 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 0.71 0.88 0.00 0.00 29 L 7.68 3.46 0.00 1.41 1.07 0.80 0.67 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 30 I 7.75 3.65 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.88 0.00 0.00 31 R 7.93 3.77 0.00 1.93 2.12 0.00 3.01 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 32 L 7.86 3.89 0.00 1.72 1.40 1.06 1.33 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 33 F 7.90 4.59 0.00 3.07 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 34 K 8.20 4.03 0.00 1.67 1.83 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.70 7.81 35 S 8.05 4.27 0.00 3.73 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.73 0.00 3.00 2.74 0.00 5.63 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 37 P 0.00 4.57 0.00 2.15 2.11 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 38 E 8.47 4.91 0.00 2.29 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 2.27 2.39 0.00 39 T 8.12 3.83 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 0.81 0.00 0.00 40 L 8.01 3.80 0.00 1.43 1.75 -0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.29 4.12 0.00 2.32 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 0.00 2.37 2.39 0.00 42 K 8.08 4.41 0.00 1.92 1.71 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.73 1.96 7.81 43 F 8.17 4.51 0.00 3.31 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 44 D 8.36 4.40 0.00 2.61 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 45 R 7.72 3.89 0.00 1.45 1.16 0.00 3.03 0.00 0.00 2.92 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.38 0.00 46 F 8.08 5.08 0.00 2.88 2.78 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 47 K 8.36 3.74 0.00 1.83 1.94 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 48 H 8.15 4.61 0.00 3.33 3.40 0.00 5.58 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 49 L 7.76 4.19 0.00 1.57 1.57 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.30 4.23 0.00 1.69 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.54 7.81 51 T 7.30 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 1.20 0.00 0.00 52 E 8.61 3.93 0.00 2.04 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 2.35 2.35 0.00 53 A 7.92 3.96 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 54 E 7.94 3.93 0.00 2.09 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 2.34 2.34 0.00 55 M 8.13 4.14 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 56 K 8.14 3.97 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.62 7.81 57 A 7.53 4.38 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 58 S 7.53 4.23 0.00 3.89 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 59 E 8.87 4.00 0.00 2.14 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 2.39 2.44 0.00 60 D 8.09 4.42 0.00 3.01 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 61 L 7.98 3.26 0.00 1.17 1.54 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.84 3.86 0.00 1.98 1.86 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.67 7.81 63 K 8.25 4.01 0.00 2.04 1.91 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.78 1.65 7.81 64 H 8.59 4.41 0.00 3.60 3.59 0.00 5.79 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 65 G 8.38 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 66 V 7.70 3.61 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 0.96 0.00 0.00 67 T 7.93 3.88 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 68 V 7.97 3.61 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 1.09 0.00 0.00 0.98 0.00 0.00 69 L 8.17 4.25 0.00 1.79 1.85 0.89 0.81 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 70 T 8.37 3.97 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 1.26 0.00 0.00 71 A 8.11 4.01 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 72 L 8.23 3.75 0.00 1.68 1.64 0.25 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.61 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 0.00 0.00 0.00 74 A 7.78 4.01 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 75 I 7.44 3.79 1.85 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 1.53 0.58 0.89 0.00 0.00 76 L 7.84 3.97 0.00 1.29 1.53 -0.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.77 3.97 0.00 1.65 1.80 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.83 3.96 0.00 1.83 1.79 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.62 1.74 7.81 79 K 8.32 2.00 0.00 1.27 0.74 0.00 1.48 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.32 0.69 7.81 80 G 8.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.32 4.63 0.00 3.18 3.23 0.00 5.80 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 82 H 7.60 5.34 0.00 3.29 3.44 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.58 3.99 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 2.39 2.36 0.00 84 A 7.92 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.15 4.09 0.00 2.25 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 2.44 0.00 86 L 8.19 4.07 0.00 2.00 1.68 0.99 0.41 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 87 K 7.92 3.89 0.00 1.84 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 P 0.00 4.35 0.00 2.30 2.34 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.51 4.04 0.00 1.93 1.93 0.98 1.15 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 90 A 8.59 4.24 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 91 Q 8.29 3.88 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.22 4.03 0.00 4.01 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 93 H 8.64 4.16 0.00 3.60 3.62 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 94 A 7.95 2.78 0.83 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 95 T 7.43 3.96 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 1.11 0.00 0.00 96 K 7.46 4.01 0.00 1.54 1.63 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.34 7.81 97 H 7.95 4.26 0.00 3.01 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.48 3.23 0.00 1.76 1.75 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.22 7.81 99 I 8.02 4.37 2.12 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 1.40 0.97 1.16 0.00 0.00 100 P 0.00 4.56 0.00 1.91 1.98 0.00 3.30 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 0.65 1.37 0.00 101 I 7.86 3.62 1.78 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 1.40 0.66 0.80 0.00 0.00 102 K 7.97 3.59 0.00 1.70 1.62 0.00 0.80 0.00 0.00 1.52 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.06 7.81 103 Y 7.92 4.26 0.00 3.26 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.85 4.25 0.00 1.82 1.79 0.74 1.17 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 0.00 105 E 8.05 4.02 0.00 2.06 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 2.32 2.30 0.00 106 F 7.94 4.54 0.00 3.20 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.15 3.89 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 1.10 0.00 0.00 108 S 8.11 4.19 0.00 4.23 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.52 4.03 0.00 2.18 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 2.38 2.41 0.00 110 A 8.03 4.03 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 0.00 111 I 8.09 3.70 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 1.03 0.00 0.00 112 I 7.93 3.83 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.73 1.14 0.00 0.00 113 H 8.47 4.11 0.00 3.37 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.92 3.57 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 1.00 0.00 0.00 0.99 0.00 0.00 115 L 7.89 3.77 0.00 0.46 0.62 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.89 4.31 0.00 3.43 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.88 4.12 0.00 3.95 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 0.00 118 R 7.92 4.12 0.00 1.60 1.60 0.00 3.16 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 119 H 8.23 5.03 0.00 3.20 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.21 2.27 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.11 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 0.00 122 N 8.25 5.03 0.00 2.80 2.94 0.00 0.00 6.65 7.26 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 0.00 123 F 7.87 4.93 0.00 2.94 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 0.00 124 G 7.63 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 0.00 0.00 0.00 125 A 8.41 3.88 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 0.00 126 D 7.94 4.17 0.00 2.64 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 0.00 127 A 7.75 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 0.00 128 Q 7.77 3.10 0.00 1.25 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 129 G 8.14 3.52 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 0.00 0.00 0.00 130 A 7.96 3.85 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 0.00 131 M 8.24 3.98 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 N 8.54 4.33 0.00 2.87 2.96 0.00 0.00 6.87 7.04 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 0.00 133 K 8.13 3.85 0.00 1.95 1.71 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 7.99 3.82 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 0.00 135 L 8.17 4.12 0.00 1.77 1.83 1.00 0.73 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 0.00 136 E 8.56 3.98 0.00 2.15 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 2.59 0.00 137 L 8.15 3.94 0.00 1.87 1.97 1.02 0.98 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 0.00 138 F 8.37 4.16 0.00 3.13 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 0.00 139 R 8.20 3.47 0.00 1.97 1.84 0.00 3.16 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.00 0.00 140 K 8.26 3.84 0.00 1.81 1.97 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.21 4.35 0.00 2.76 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 0.00 142 I 7.61 3.46 1.26 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.12 0.11 0.00 0.00 143 A 7.95 3.66 1.24 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 0.00 0.00 144 A 7.98 3.96 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 0.00 145 K 7.93 4.02 0.00 1.99 1.95 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.63 7.81 146 Y 8.46 4.40 0.00 3.29 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 0.00 147 K 8.11 3.96 0.00 2.01 1.95 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 7.94 4.05 0.00 2.21 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 2.36 2.53 0.00 149 L 7.90 4.37 0.00 1.80 1.71 0.98 0.88 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 G 8.01 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 0.00 151 Y 8.41 4.46 0.00 2.71 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 0.00 152 Q 8.33 3.37 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 153 G 5.56 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 0.00 0.00 0.00