NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3236 8.3049 120.3209 55.2557 33.5499 175.8866 1 M 4.1983 8.0734 123.4881 53.4901 34.3385 175.6456 2 R 3.9512 8.4332 120.7084 60.1008 30.6303 177.9927 3 Y 4.1109 8.0432 116.7692 59.8497 37.9317 177.8642 4 L 3.3381 6.4952 121.7518 57.8695 42.0903 178.3616 5 H 4.1069 7.7903 115.8477 58.5562 28.5405 177.5054 6 K 3.8888 7.9122 121.3469 59.6685 31.9670 178.6944 7 I 3.8017 7.6093 118.6480 64.1804 37.8961 177.5618 8 E 4.1112 8.3840 119.5631 59.3513 29.3865 179.0815 9 L 3.9738 8.3113 120.6784 58.3190 42.3074 178.7859 10 E 4.0447 8.1509 118.9041 59.1048 29.5602 178.7645 11 L 4.1268 8.4434 119.6022 57.8736 41.9039 179.1522 12 N 4.5522 8.6247 118.1712 55.7680 38.3023 177.7372 13 R 4.0117 8.0367 119.4582 58.9449 30.0267 179.0821 14 L 4.0955 7.8241 118.7840 58.0289 41.2641 179.5301 15 T 3.8824 8.3203 109.8428 65.0878 68.3656 176.3889 16 S 4.1846 7.9733 114.6153 60.2930 62.4135 175.3351 17 R 4.2924 7.4234 120.0888 56.6747 30.7361 175.4803 18 Y 4.7258 8.3275 120.0670 55.4881 38.4278 174.6998 19 P 4.2966 0.0000 0.0000 65.0335 31.5919 177.6898 20 F 4.3743 8.3625 114.6363 57.3791 39.2255 174.8772 21 F 4.6442 8.3232 124.6747 56.7821 39.8758 174.5232 22 K 3.8739 7.8142 129.4637 54.1280 33.2513 175.1897 23 K 3.8086 7.8510 128.2648 54.4426 31.8875 175.6430 24 I 3.8860 7.4740 119.5944 59.2151 38.9345 175.5603 25 A 3.7648 7.9152 124.2183 51.6323 18.7760 177.8645 26 F 4.5041 7.7243 120.9400 57.1188 39.9091 175.4555 27 D 4.4449 8.8622 122.8462 54.3565 42.0388 177.0505 28 A 4.0570 8.7387 129.0959 55.3744 18.6975 178.9467 29 E 3.9658 8.3256 117.3169 59.5905 29.7824 178.9620 30 I 3.8507 8.3243 119.8816 64.1772 37.0755 178.5206 31 I 3.7462 7.9306 120.7667 64.3671 36.8002 178.2131 32 K 3.8943 7.7774 117.8557 59.7549 32.2617 178.9919 33 L 4.1449 7.8633 118.3870 57.9438 41.6153 179.7004 34 V 3.4632 7.9613 118.1740 66.0477 31.1128 177.3889 35 D 4.5809 8.3077 118.2357 57.2368 40.8285 177.9088 36 D 4.7456 7.5988 115.4518 52.9703 41.7927 176.8576 37 L 4.0206 7.0552 120.6320 54.9867 42.5842 177.5786 38 N 4.6367 8.3557 122.5494 52.0364 37.4010 173.3200 39 V 4.4757 6.7827 112.4940 58.5442 36.8640 175.3409 40 D 4.5496 8.1929 120.6335 53.9353 42.5880 177.2745 41 E 3.8512 8.5883 121.0127 59.7216 29.5644 178.7618 42 N 4.1572 7.9201 115.8990 56.2536 38.6657 177.4232 43 V 3.3135 7.1599 119.0917 65.7433 31.6143 178.0634 44 K 3.5782 7.5591 117.9909 59.2998 31.6910 179.1859 45 C 3.8883 7.7156 116.7583 62.5510 27.8265 175.7634 46 A 4.3339 7.8138 122.3227 55.4270 17.8951 179.7006 47 I 3.5995 7.8075 118.0668 64.6782 37.2629 178.8539 48 V 3.4944 7.7572 118.6943 65.7189 31.1937 177.7820 49 A 4.0721 8.4383 120.9484 55.4776 18.4254 179.5770 50 I 3.3962 8.0169 117.2081 63.7092 37.7927 177.6468 51 D 4.0960 8.0531 119.5657 57.6170 41.2105 178.4262 52 T 4.0148 8.0119 116.2950 66.3526 68.1857 176.5197 53 S 4.1271 7.9661 114.5379 62.0663 62.5895 176.1649 54 M 4.3098 8.0253 120.8173 58.2626 31.1887 178.9475 55 R 4.1507 8.0767 117.8850 59.1285 30.2424 178.7805 56 M 4.4186 8.2030 118.4750 58.0962 31.5414 178.3224 57 Q 4.1416 7.8901 118.8566 59.4200 28.7390 178.6877 58 D 4.4733 7.9211 116.5288 55.8555 41.0224 176.9992 59 F 4.4752 7.9924 116.6795 57.0432 39.6044 175.7619 60 I 4.0272 7.4726 123.0553 61.0812 37.2391 174.9447 61 N 5.1062 9.3376 124.8298 51.2650 41.2605 175.1413 62 E 4.0955 8.5875 117.0251 59.4777 29.6668 177.8050 63 D 4.6550 7.9377 116.5676 55.2418 41.4855 176.5608 64 N 5.1078 7.7400 114.6407 52.1892 39.0966 176.2525 65 K 3.8833 7.9736 120.7658 60.2511 32.7772 178.4148 66 D 4.6043 8.2065 116.4547 54.4796 40.0519 176.5837 67 S 4.9845 8.0536 113.2012 60.6514 63.7417 175.5785 68 F 3.9745 9.2899 121.1438 60.3680 38.6428 177.7592 69 V 3.6797 7.9154 117.6413 66.3293 31.4146 178.1217 70 L 4.0860 8.0263 117.9673 57.8978 41.5125 179.6887 71 S 4.4694 8.0412 115.0702 61.8414 62.8024 176.7848 72 T 4.0191 8.2164 112.4520 64.7451 68.4085 176.3344 73 D 4.4396 7.9555 121.6367 57.1020 40.8288 179.0815 74 V 3.6168 7.9647 113.0378 64.3856 31.5450 178.4909 75 L 3.8866 8.0025 118.5992 58.1076 41.5243 179.8822 76 S 4.2535 8.2542 114.8473 61.4662 62.6823 176.5781 77 A 4.2305 8.1381 123.6851 55.0122 18.0413 179.6933 78 L 3.6606 8.7745 118.5820 57.6943 41.4533 179.1523 79 F 4.3618 8.1461 119.6622 61.9660 39.7232 176.4278 80 Y 4.3325 8.0913 118.3105 60.2762 38.5443 177.5835 81 K 3.7226 8.0886 120.9488 59.6816 32.1156 178.4962 82 Y 4.4541 7.8327 115.7445 60.1740 37.9336 177.1215 83 L 4.8786 7.4697 117.4991 54.4492 42.0752 177.8135 84 S 4.4615 8.0022 115.4702 59.0303 64.1415 173.9811 85 Q 4.2433 7.6942 120.6867 53.5439 29.6700 172.1092 86 P 4.4444 0.0000 0.0000 61.4034 32.4684 176.1968 87 F 4.6396 8.5099 121.9474 58.8805 39.4941 175.4070 88 Y 4.1508 8.2872 128.1516 56.1676 36.6136 175.8465 89 Q 3.1276 7.6434 124.7293 59.0963 29.4294 177.1863 90 H 4.1721 8.0797 118.4411 59.5127 29.9799 176.8278 91 D 4.5158 8.2051 120.2379 57.1936 40.6610 178.4700 92 F 4.3435 8.6254 121.6841 61.3283 38.9459 177.2258 93 L 3.9280 8.3367 119.0126 57.6874 41.4053 179.8155 94 V 3.5263 7.8463 118.0448 66.1635 31.6735 178.2311 95 L 4.3214 8.3802 119.2008 57.7983 41.3889 179.5416 96 T 3.9575 8.0078 110.0821 64.4793 68.6653 176.3282 97 D 4.2548 7.7582 120.2132 57.5304 41.2527 177.9132 98 C 4.0252 8.0845 117.1735 62.6987 27.9175 176.5254 99 V 3.7105 7.6578 119.6030 66.1100 31.2218 178.2583 100 S 4.1439 7.7894 114.1257 61.6156 62.6624 176.6702 101 R 4.1750 8.0166 122.9805 58.4366 29.7913 178.8453 102 I 3.6542 7.9370 118.6150 63.9688 38.0470 177.7504 103 N 4.4272 8.0458 117.3844 56.0467 37.9607 177.3156 104 E 3.9838 8.1108 120.2230 59.3667 29.5686 179.3641 105 L 4.0021 8.2705 119.4562 57.7678 41.4525 179.7726 106 K 4.0140 7.8537 117.5568 59.1640 32.1276 179.2196 107 S 4.2184 7.9455 113.1787 61.6171 62.3407 176.4173 108 I 3.7880 7.7311 122.3363 64.1087 36.5349 178.3831 109 R 3.9173 7.8947 118.8746 59.1574 29.8731 178.0691 110 A 4.0959 7.7173 119.9102 54.0850 19.4954 178.0711 111 T 4.4018 7.1870 112.1308 59.8176 66.5810 174.5582 112 I 4.2283 7.0011 118.6713 60.7162 41.2755 173.3928 113 T 4.4833 8.4111 116.1366 61.0219 70.2831 174.4255 114 D 4.4032 7.9003 122.7021 54.7413 42.7926 175.2671 115 E 3.9264 8.9131 127.5206 59.7479 29.7115 179.1150 116 I 3.7029 7.6371 112.4338 63.8283 37.9662 177.9717 117 A 4.0311 7.7903 121.9309 54.7125 18.1693 179.3095 118 L 3.9650 7.9799 119.0494 58.2847 42.2832 178.4787 119 H 4.1046 8.5359 118.5815 59.3383 29.8058 177.1075 120 N 4.3721 8.1983 118.2272 56.3819 38.4823 177.4066 121 I 3.7339 7.6919 119.6820 64.0068 37.9321 177.6894 122 N 4.3194 8.2048 117.6505 55.9163 38.4024 177.2090 123 K 3.8740 7.7732 120.5874 59.6930 32.1413 178.6689 124 Q 4.0611 7.9736 118.3329 59.2024 28.9162 178.0336 125 I 3.8229 7.7055 121.0432 64.4861 36.9967 177.8481 126 H 4.1636 8.3621 118.2135 58.2301 29.9521 175.3933 127 Y 4.7443 7.4268 116.2642 57.8417 38.4365 176.7642 128 M 3.7577 7.5603 120.8871 59.0259 32.1796 178.0062 129 F 4.6524 7.8152 113.9759 58.4556 39.9753 176.6191 130 I 4.5205 7.6633 111.7311 61.6655 38.6172 177.6147 131 Q 4.0059 8.0130 120.2268 58.5484 28.4080 176.6082 132 P 4.2731 0.0000 0.0000 64.2483 31.2890 176.3618 133 Y 4.7578 7.5706 114.7636 57.5595 38.5336 175.6742 134 M 4.3784 8.3137 125.9403 55.7902 33.2852 174.9942 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 4.32 0.00 1.70 1.99 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 1 M 8.07 4.20 0.00 2.27 1.88 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.65 0.00 2 R 8.43 3.95 0.00 1.91 2.00 0.00 3.21 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.72 0.00 3 Y 8.04 4.11 0.00 3.21 3.12 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 4 L 6.50 3.34 0.00 0.95 1.26 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.79 4.11 0.00 3.39 3.29 0.00 5.68 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 6 K 7.91 3.89 0.00 1.85 1.96 0.00 1.86 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.50 7.81 7 I 7.61 3.80 1.75 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 1.70 1.64 0.83 0.00 0.00 8 E 8.38 4.11 0.00 2.23 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 2.62 2.62 0.00 9 L 8.31 3.97 0.00 1.90 1.92 0.94 0.91 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 10 E 8.15 4.04 0.00 2.16 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 2.32 2.37 0.00 11 L 8.44 4.13 0.00 1.89 1.96 1.29 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.62 4.55 0.00 2.79 2.90 0.00 0.00 6.63 7.20 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 13 R 8.04 4.01 0.00 2.08 1.97 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 14 L 7.82 4.10 0.00 1.64 1.39 0.44 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.32 3.88 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 1.46 0.00 0.00 16 S 7.97 4.18 0.00 3.93 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 0.00 17 R 7.42 4.29 0.00 1.51 1.67 0.00 2.96 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 18 Y 8.33 4.73 0.00 3.08 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 19 P 0.00 4.30 0.00 2.02 2.08 0.00 3.87 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 20 F 8.36 4.37 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.32 4.64 0.00 3.00 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 22 K 7.81 3.87 0.00 1.39 0.96 0.00 1.44 0.00 0.00 1.48 0.00 0.00 3.01 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.88 0.78 7.81 23 K 7.85 3.81 0.00 1.58 1.53 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.07 1.32 7.81 24 I 7.47 3.89 1.59 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.55 0.00 0.00 25 A 7.92 3.76 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 26 F 7.72 4.50 0.00 3.10 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 27 D 8.86 4.44 0.00 2.88 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 A 8.74 4.06 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 29 E 8.33 3.97 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 30 I 8.32 3.85 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.34 0.98 0.00 0.00 31 I 7.93 3.75 2.11 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.96 1.01 0.00 0.00 32 K 7.78 3.89 0.00 1.97 1.94 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.70 7.81 33 L 7.86 4.14 0.00 1.93 1.75 1.08 0.68 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 34 V 7.96 3.46 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.95 0.00 0.00 35 D 8.31 4.58 0.00 2.95 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 36 D 7.60 4.75 0.00 2.65 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 37 L 7.06 4.02 0.00 1.66 1.39 0.99 0.75 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 38 N 8.36 4.64 0.00 2.66 2.77 0.00 0.00 6.83 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 6.78 4.48 1.87 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 0.60 0.00 0.00 0.57 0.00 0.00 40 D 8.19 4.55 0.00 2.54 2.55 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 41 E 8.59 3.85 0.00 2.03 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 2.36 2.47 0.00 42 N 7.92 4.16 0.00 2.63 3.07 0.00 0.00 6.75 7.68 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 43 V 7.16 3.31 1.83 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 0.77 0.00 0.00 0.29 0.00 0.00 44 K 7.56 3.58 0.00 1.43 0.74 0.00 1.10 0.00 0.00 0.67 0.00 0.00 2.69 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.96 1.36 7.81 45 C 7.72 3.89 0.00 2.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.81 4.33 1.52 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 47 I 7.81 3.60 1.86 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.88 0.00 0.00 48 V 7.76 3.49 1.88 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 0.25 0.00 0.00 0.91 0.00 0.00 49 A 8.44 4.07 1.70 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 50 I 8.02 3.40 1.18 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.39 -0.09 0.00 0.00 51 D 8.05 4.10 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.01 4.01 4.41 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 1.32 0.00 0.00 53 S 7.97 4.13 0.00 4.00 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 54 M 8.03 4.31 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.95 0.00 55 R 8.08 4.15 0.00 1.96 2.15 0.00 3.48 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 56 M 8.20 4.42 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.48 0.00 57 Q 7.89 4.14 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 58 D 7.92 4.47 0.00 2.50 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 59 F 7.99 4.48 0.00 3.36 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 60 I 7.47 4.03 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.89 0.96 0.00 0.00 61 N 9.34 5.11 0.00 2.66 2.68 0.00 0.00 6.60 8.20 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 62 E 8.59 4.10 0.00 1.95 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 2.30 2.27 0.00 63 D 7.94 4.65 0.00 2.62 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 64 N 7.74 5.11 0.00 2.71 2.74 0.00 0.00 6.01 7.20 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 65 K 7.97 3.88 0.00 2.14 2.41 0.00 1.33 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.42 7.81 66 D 8.21 4.60 0.00 2.72 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 67 S 8.05 4.98 0.00 4.19 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.29 3.97 0.00 3.20 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 69 V 7.92 3.68 2.23 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 1.08 0.00 0.00 1.05 0.00 0.00 70 L 8.03 4.09 0.00 1.81 1.75 0.89 0.90 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 71 S 8.04 4.47 0.00 3.92 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 72 T 8.22 4.02 4.42 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 1.42 0.00 0.00 73 D 7.96 4.44 0.00 2.90 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 74 V 7.96 3.62 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 0.71 0.00 0.00 1.06 0.00 0.00 75 L 8.00 3.89 0.00 1.98 2.01 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.25 4.25 0.00 4.13 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 77 A 8.14 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.77 3.66 0.00 1.88 1.66 0.93 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.15 4.36 0.00 3.08 3.40 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 80 Y 8.09 4.33 0.00 3.23 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 81 K 8.09 3.72 0.00 1.69 1.55 0.00 1.48 0.00 0.00 1.26 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.16 1.27 7.81 82 Y 7.83 4.45 0.00 2.96 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 83 L 7.47 4.88 0.00 1.83 1.78 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.00 4.46 0.00 3.72 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 85 Q 7.69 4.24 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.09 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 86 P 0.00 4.44 0.00 1.89 1.92 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.99 0.00 87 F 8.51 4.64 0.00 2.80 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 88 Y 8.29 4.15 0.00 3.06 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 89 Q 7.64 3.13 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 90 H 8.08 4.17 0.00 3.30 3.34 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.21 4.52 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.63 4.34 0.00 3.12 3.26 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 93 L 8.34 3.93 0.00 1.88 1.70 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.85 3.53 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 0.91 0.00 0.00 0.71 0.00 0.00 95 L 8.38 4.32 0.00 2.21 2.11 1.20 1.33 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 96 T 8.01 3.96 4.04 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 0.57 0.00 0.00 97 D 7.76 4.25 0.00 2.90 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 C 8.08 4.03 0.00 3.43 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 99 V 7.66 3.71 2.23 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 1.03 0.00 0.00 0.87 0.00 0.00 100 S 7.79 4.14 0.00 4.02 4.09 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 0.00 101 R 8.02 4.18 0.00 1.88 1.95 0.00 3.09 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 102 I 7.94 3.65 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 1.05 0.00 0.00 103 N 8.05 4.43 0.00 2.88 2.85 0.00 0.00 6.94 9.01 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 0.00 104 E 8.11 3.98 0.00 2.20 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 2.32 2.49 0.00 105 L 8.27 4.00 0.00 1.76 1.68 0.87 0.74 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 0.00 106 K 7.85 4.01 0.00 1.79 1.87 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 107 S 7.95 4.22 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.79 1.86 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 1.40 1.34 0.90 0.00 0.00 109 R 7.89 3.92 0.00 1.92 2.15 0.00 3.36 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 110 A 7.72 4.10 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 0.00 111 T 7.19 4.40 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 1.28 0.00 0.00 112 I 7.00 4.23 1.87 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 1.47 0.55 0.99 0.00 0.00 113 T 8.41 4.48 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 1.20 0.00 0.00 114 D 7.90 4.40 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.91 3.93 0.00 2.11 1.87 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 2.37 2.43 0.00 116 I 7.64 3.70 1.88 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 1.65 0.46 0.90 0.00 0.00 117 A 7.79 4.03 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 0.00 118 L 7.98 3.96 0.00 1.98 1.80 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.54 4.10 0.00 3.30 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.20 4.37 0.00 2.98 2.86 0.00 0.00 6.68 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.69 3.73 1.96 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 1.50 1.34 0.98 0.00 0.00 122 N 8.20 4.32 0.00 2.98 2.79 0.00 0.00 6.58 8.34 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 0.00 123 K 7.77 3.87 0.00 1.98 2.03 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.68 7.81 124 Q 7.97 4.06 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 125 I 7.71 3.82 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 1.36 0.71 0.89 0.00 0.00 126 H 8.36 4.16 0.00 2.95 3.18 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.43 4.74 0.00 3.13 2.82 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 0.00 128 M 7.56 3.76 0.00 1.12 1.75 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.96 0.00 129 F 7.82 4.65 0.00 3.12 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 0.00 130 I 7.66 4.52 1.98 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.89 1.02 0.00 0.00 131 Q 8.01 4.01 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 132 P 0.00 4.27 0.00 1.53 1.88 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 133 Y 7.57 4.76 0.00 3.10 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 0.00 134 M 8.31 4.38 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.51 0.00