NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4837 8.3344 116.7896 58.3453 65.1429 173.4502 5 V 4.2796 7.3602 120.1854 60.0777 31.5501 169.9110 6 V 3.7652 8.8386 119.1291 63.6290 33.6499 174.0245 7 K 4.6621 8.9836 126.7562 57.1823 32.3238 178.2335 8 S 4.6918 8.8398 122.2772 59.3673 64.5154 174.3387 9 E 4.2466 7.8645 117.6146 55.9508 29.9232 177.3452 10 D 4.4141 7.7290 121.7544 57.3145 41.4237 178.1406 11 Y 4.1542 7.9189 115.5047 59.6079 37.6178 176.8712 12 A 4.4702 6.8530 119.8542 52.0747 19.3057 176.5912 13 L 4.8827 7.6461 115.6858 51.5892 45.0402 174.8763 14 P 4.4268 0.0000 0.0000 62.9538 31.7962 175.8522 15 S 4.7824 8.1639 114.6555 56.7483 66.3603 172.4445 16 Y 4.5547 8.3712 121.1948 56.7317 39.7233 174.8764 17 V 4.4350 6.9831 116.9747 59.9263 35.7506 174.1873 18 D 4.7148 8.4799 122.9371 52.8278 41.9081 176.6883 19 R 4.3965 8.1818 123.2006 55.0524 34.0305 175.8245 20 R 3.5991 8.7958 123.4642 59.4992 30.0547 177.1879 21 D 4.7883 8.0134 112.9855 53.8032 40.0956 176.3304 22 Y 4.8719 7.9210 120.4106 55.9518 39.0544 172.6489 23 P 4.4716 0.0000 0.0000 64.9031 32.1712 177.5816 24 L 4.6732 7.2086 119.4057 51.7316 40.6540 174.0801 25 P 4.6068 0.0000 0.0000 62.0051 32.2838 178.1463 26 D 4.3021 8.8262 118.7057 56.8214 40.9293 177.1684 27 V 4.5515 7.1593 109.8316 58.8446 35.5328 175.2141 28 A 4.2235 8.3207 124.2643 52.2651 19.0162 177.5754 29 H 3.6212 8.8848 121.6933 58.6499 29.9327 176.0456 30 V 3.9370 7.8101 120.7962 61.0304 31.6244 175.1710 31 K 3.9812 8.5690 129.3127 58.0330 32.4735 175.9641 32 N 4.8044 7.7955 116.2162 51.2030 39.2571 174.0967 33 L 4.2664 8.1707 123.7310 53.8300 42.8015 178.0422 34 S 4.3927 8.6602 116.8144 58.4898 65.3406 175.3341 35 A 3.7749 8.0417 122.3426 55.1428 18.6172 179.6950 36 S 4.3070 7.9578 111.3592 60.3146 63.6352 176.4369 37 Q 3.9284 8.0042 122.2626 59.1301 28.4945 178.8310 38 K 3.8803 8.3825 119.3745 59.3954 31.9260 178.9424 39 A 3.9566 7.7964 120.5267 55.1318 18.3278 179.0073 40 L 3.8797 8.4532 118.5139 58.6147 41.8999 179.5134 41 K 3.9792 8.0642 116.7395 59.6254 32.3604 178.8517 42 E 4.1273 8.4456 118.8845 59.2962 29.3062 179.2583 43 K 4.0061 8.3981 119.9588 59.3452 31.9760 178.0695 44 E 4.3664 8.0529 118.2206 58.1667 29.7019 177.9595 45 K 4.2610 7.9267 116.2167 57.1369 32.5453 176.5462 46 A 4.4428 7.2406 122.1575 50.0104 20.7354 176.6602 47 S 3.9975 8.3617 113.3763 58.6735 62.9563 175.3672 48 W 4.6010 8.5666 126.6856 59.5102 29.2206 178.4506 49 S 4.2536 7.8603 114.1254 61.3229 62.3083 175.1814 50 S 4.7455 7.8000 114.3878 58.1204 62.6614 173.5193 51 L 4.9570 7.5175 120.1479 52.8177 43.7108 177.3792 52 S 4.4340 9.6473 117.9749 57.9841 65.2659 175.6804 53 I 3.6238 8.2388 124.5893 65.1020 36.9898 178.1536 54 D 4.5524 8.0726 118.9137 57.1594 40.6463 178.6020 55 E 4.0059 8.1034 118.8940 59.1365 29.3844 179.4124 56 K 3.8909 8.3278 118.8448 59.4510 32.0939 179.3622 57 V 3.6047 8.1982 118.7878 66.2432 31.4309 177.6571 58 E 3.9562 8.2127 118.8051 59.2973 29.2836 178.7901 59 L 4.0049 8.4119 119.6043 57.6135 41.4796 178.7067 60 Y 4.0347 8.3942 119.9445 60.9332 38.6426 178.3059 61 R 4.6914 8.1701 117.8130 57.4935 30.5748 178.5210 62 L 4.0680 7.9559 119.8308 57.3730 41.6110 179.2016 63 K 3.5304 7.6312 119.5365 57.6905 32.3009 176.6307 64 F 5.2276 7.5085 116.8173 55.4288 41.8552 174.9242 65 K 3.7590 8.4320 125.5865 57.3408 32.6022 176.2863 66 E 4.8419 8.5853 120.6243 54.7924 31.4299 177.1641 67 S 4.9750 8.7263 119.4897 57.0965 65.5105 175.5856 68 F 3.7845 8.9516 119.5382 60.8428 38.4130 177.6181 69 A 4.0900 8.1518 118.2608 55.3628 18.5108 179.1482 70 E 4.1014 8.3172 117.2446 59.7147 29.4538 179.3638 71 M 4.3377 8.4203 115.7433 57.4438 31.2907 177.1839 72 N 4.7607 7.5542 115.5012 51.9843 39.5211 175.1191 73 R 4.1751 7.2536 117.8628 55.7509 30.4642 177.1585 74 S 4.6152 8.2750 114.8745 58.0713 65.3076 172.5675 75 T 4.6699 7.9991 108.6300 61.3646 71.3547 172.6826 76 N 4.7143 8.5899 117.0627 53.3370 38.8568 176.6766 77 E 3.8889 8.2489 122.5645 59.3766 29.4643 178.8142 78 W 4.4049 8.4609 115.9900 59.7881 27.7656 178.2801 79 K 3.0567 6.4339 118.3661 59.1460 31.3324 179.2341 80 T 3.7495 7.5527 115.3060 66.6871 68.3500 176.4574 81 V 3.6082 8.0151 120.1151 66.2038 31.6310 178.1950 82 V 3.7846 8.5395 118.4374 65.8357 31.3324 178.2173 83 G 3.5992 8.5847 105.7053 47.7760 0.0000 175.4947 84 A 4.1006 8.4910 123.9185 54.6859 18.4638 179.1285 85 A 4.1473 8.3384 119.6114 56.1780 18.3331 179.8144 86 M 4.1418 8.2020 116.6754 58.3636 31.9793 178.7863 87 F 4.0297 8.4451 120.9349 61.4913 39.7202 177.2969 88 F 4.1096 8.5771 117.6532 60.4016 38.4271 177.9043 89 I 3.9089 8.2860 119.4343 64.3233 36.7844 178.2441 90 G 3.6654 8.2893 106.9525 47.7933 0.0000 175.2819 91 F 3.8738 8.2572 123.1233 61.3072 39.1014 177.4569 92 T 3.7404 7.7512 114.9753 66.4428 68.1611 176.5115 93 A 3.9408 7.6328 121.8883 54.9358 18.2690 179.5864 94 L 3.7455 7.6142 117.2243 57.8234 41.6607 179.5119 95 L 3.8252 7.1000 118.8809 57.7938 41.5132 179.5332 96 L 4.0724 8.0343 118.9562 57.8910 41.5538 179.6564 97 I 3.6892 8.4602 120.3922 64.0891 37.0741 178.0833 98 W 4.1844 8.6180 129.5998 60.5849 30.3800 177.5429 99 E 3.9350 8.6871 119.1029 59.2676 28.8929 178.6580 100 K 4.1194 8.1200 118.6242 59.8000 32.2913 177.8346 101 H 4.1415 7.8774 117.5579 58.3744 29.8959 175.8728 102 Y 4.3371 7.2835 116.2091 57.7753 39.1099 176.7256 103 V 3.9275 7.3516 118.2002 64.4379 32.6873 175.7561 104 Y 4.4888 7.5143 116.3527 57.5813 38.4120 176.2571 105 G 3.9609 8.4449 113.7627 43.8001 0.0000 171.2194 106 P 4.3287 0.0000 0.0000 62.3545 31.8317 176.1175 107 I 3.9521 7.7805 113.7581 59.3100 38.9269 173.6324 108 P 4.4646 0.0000 0.0000 62.3787 31.8561 177.4951 109 H 4.3414 8.4688 115.0643 58.0044 28.5279 177.1360 110 T 2.7625 7.0608 109.1400 62.7779 68.7438 174.9498 111 F 4.2810 7.7975 120.0338 58.0239 39.6746 176.5843 112 E 4.1773 8.0377 121.7795 56.2154 31.1881 177.2560 113 E 3.9711 8.8945 122.7560 59.6214 29.6920 179.1079 114 E 3.9507 8.1790 118.6839 58.9842 29.9002 178.1342 115 W 4.0238 8.3727 128.0124 60.7620 30.6435 177.9611 116 V 3.9222 8.3538 117.8745 65.6601 30.8976 177.9825 117 A 4.0161 7.8525 120.4485 54.9587 18.1887 179.7664 118 K 3.7739 8.0804 117.0881 59.4842 32.0133 179.1425 119 Q 3.8490 8.3477 120.1484 59.6595 28.8413 178.8181 120 T 3.9975 8.2246 116.7888 66.4797 68.4226 176.3163 121 K 3.5429 7.7028 120.9817 59.4720 32.1359 178.3842 122 R 3.8311 8.0569 119.0031 60.0548 29.8394 178.2720 123 M 4.0016 8.2194 118.2200 58.4409 32.0131 178.7875 124 L 4.1761 8.1218 119.2233 57.5453 41.4976 179.1043 125 D 4.4355 8.5857 119.6824 57.2946 40.9169 177.8840 126 M 4.2468 8.1532 114.2737 54.3405 32.5733 175.7932 127 K 4.0440 7.8006 116.9491 56.5863 29.9973 176.5579 128 V 3.4391 8.2743 118.9297 64.6624 32.9767 175.0905 129 A 3.7603 8.6413 128.8460 52.8625 15.5160 175.4012 130 P 4.8851 0.0000 0.0000 63.0181 32.9309 178.2032 131 I 4.1189 7.7912 119.8296 63.8793 37.6672 176.3536 132 Q 4.5077 8.0186 114.3203 57.3303 33.3494 176.3910 133 G 3.8389 8.2976 105.3265 47.6169 0.0000 173.0751 134 F 4.7630 8.3650 120.3653 59.1165 41.9640 176.2772 135 S 4.0811 9.3099 118.0167 61.3876 63.5138 176.6386 136 A 4.1115 8.3933 122.3689 54.9618 18.0893 178.0455 137 K 4.4990 9.0540 113.7965 56.0103 32.6180 175.4983 138 W 4.6088 8.4552 130.1242 55.2425 32.4578 174.9605 139 D 4.3720 7.5595 125.9687 53.2232 39.8437 176.4221 140 Y 4.2985 8.4582 125.1995 60.3688 38.7319 177.4011 141 D 4.5394 8.5635 120.1974 56.9844 41.2476 178.4910 142 K 4.0446 8.1214 114.0747 56.4849 32.5464 176.3407 143 N 4.0132 7.5203 117.2141 53.1648 37.7797 172.6210 144 E 3.6228 6.2707 114.6640 54.2380 33.8408 176.4362 145 W 4.7312 7.9765 120.4178 57.4489 29.4929 176.3925 146 K 4.0312 8.8920 124.1943 56.3947 32.4934 177.4536 147 K 4.1396 8.4110 121.0804 56.8014 32.1728 176.9911 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 4 S 8.33 4.48 0.00 3.82 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 5 V 7.36 4.28 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 0.74 0.00 0.00 0.91 0.00 0.00 6 V 8.84 3.77 2.09 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 1.01 0.00 0.00 0.97 0.00 0.00 7 K 8.98 4.66 0.00 1.69 1.42 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.35 7.81 8 S 8.84 4.69 0.00 3.77 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 9 E 7.86 4.25 0.00 1.93 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 2.18 2.17 0.00 10 D 7.73 4.41 0.00 2.88 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 11 Y 7.92 4.15 0.00 2.98 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 12 A 6.85 4.47 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 13 L 7.65 4.88 0.00 1.54 1.53 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.43 0.00 2.07 2.02 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 15 S 8.16 4.78 0.00 3.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.37 4.55 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 6.98 4.43 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 0.70 0.00 0.00 0.86 0.00 0.00 18 D 8.48 4.71 0.00 2.69 2.57 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 19 R 8.18 4.40 0.00 1.84 1.95 0.00 3.13 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 20 R 8.80 3.60 0.00 1.81 2.16 0.00 3.29 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 21 D 8.01 4.79 0.00 2.84 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 22 Y 7.92 4.87 0.00 2.77 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 23 P 0.00 4.47 0.00 2.27 2.41 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 24 L 7.21 4.67 0.00 1.52 1.64 0.94 1.19 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 25 P 0.00 4.61 0.00 1.97 2.11 0.00 3.94 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 26 D 8.83 4.30 0.00 2.77 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 27 V 7.16 4.55 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 0.73 0.00 0.00 1.11 0.00 0.00 28 A 8.32 4.22 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 29 H 8.88 3.62 0.00 2.36 3.21 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.81 3.94 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 0.72 0.00 0.00 0.69 0.00 0.00 31 K 8.57 3.98 0.00 1.69 1.76 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.48 7.81 32 N 7.80 4.80 0.00 2.67 2.71 0.00 0.00 6.93 7.85 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 33 L 8.17 4.27 0.00 1.61 1.57 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.66 4.39 0.00 4.03 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 35 A 8.04 3.77 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 36 S 7.96 4.31 0.00 4.06 4.13 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 37 Q 8.00 3.93 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 K 8.38 3.88 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 39 A 7.80 3.96 1.38 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 0.00 0.00 0.00 40 L 8.45 3.88 0.00 1.84 1.96 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.06 3.98 0.00 1.88 1.88 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.62 7.81 42 E 8.45 4.13 0.00 2.17 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 2.50 2.47 0.00 43 K 8.40 4.01 0.00 1.83 2.05 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.50 7.81 44 E 8.05 4.37 0.00 2.26 2.26 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 2.71 2.39 0.00 45 K 7.93 4.26 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.53 1.68 7.81 46 A 7.24 4.44 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 47 S 8.36 4.00 0.00 3.81 3.76 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 48 W 8.57 4.60 0.00 3.51 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 49 S 7.86 4.25 0.00 3.85 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 50 S 7.80 4.75 0.00 3.93 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 51 L 7.52 4.96 0.00 1.92 1.60 1.03 0.66 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 52 S 9.65 4.43 0.00 4.02 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 53 I 8.24 3.62 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 1.64 0.74 0.90 0.00 0.00 54 D 8.07 4.55 0.00 2.69 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 55 E 8.10 4.01 0.00 2.30 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 2.36 0.00 56 K 8.33 3.89 0.00 2.01 1.83 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.50 7.81 57 V 8.20 3.60 2.09 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 1.10 0.00 0.00 0.92 0.00 0.00 58 E 8.21 3.96 0.00 2.31 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 2.32 2.37 0.00 59 L 8.41 4.00 0.00 1.85 1.64 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.39 4.03 0.00 3.14 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 61 R 8.17 4.69 0.00 1.89 2.06 0.00 3.47 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.78 0.00 62 L 7.96 4.07 0.00 1.76 1.62 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.63 3.53 0.00 1.37 1.14 0.00 1.04 0.00 0.00 1.28 0.00 0.00 2.78 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.21 7.81 64 F 7.51 5.23 0.00 2.67 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.43 3.76 0.00 0.80 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.25 7.81 66 E 8.59 4.84 0.00 2.15 1.89 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 2.31 2.26 0.00 67 S 8.73 4.98 0.00 4.07 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 68 F 8.95 3.78 0.00 3.08 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 A 8.15 4.09 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 0.00 0.00 70 E 8.32 4.10 0.00 2.22 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 2.35 2.33 0.00 71 M 8.42 4.34 0.00 2.03 2.10 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 2.38 2.60 0.00 72 N 7.55 4.76 0.00 2.83 2.90 0.00 0.00 7.01 8.06 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 73 R 7.25 4.18 0.00 1.98 1.95 0.00 3.07 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 74 S 8.27 4.62 0.00 4.06 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 75 T 8.00 4.67 4.27 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 1.25 0.00 0.00 76 N 8.59 4.71 0.00 2.68 2.63 0.00 0.00 6.40 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 77 E 8.25 3.89 0.00 2.08 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 2.34 2.35 0.00 78 W 8.46 4.40 0.00 3.69 3.38 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 0.00 79 K 6.43 3.06 0.00 1.34 1.32 0.00 1.25 0.00 0.00 1.23 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.55 3.75 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 1.19 0.00 0.00 81 V 8.02 3.61 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 1.14 0.00 0.00 1.01 0.00 0.00 82 V 8.54 3.78 2.39 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 1.10 0.00 0.00 1.20 0.00 0.00 83 G 8.58 3.60 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 0.00 0.00 0.00 84 A 8.49 4.10 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 85 A 8.34 4.15 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 86 M 8.20 4.14 0.00 2.15 2.35 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 2.87 2.61 0.00 87 F 8.45 4.03 0.00 3.09 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 88 F 8.58 4.11 0.00 3.42 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 89 I 8.29 3.91 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.93 0.00 0.00 90 G 8.29 3.67 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 0.00 0.00 0.00 91 F 8.26 3.87 0.00 2.47 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 92 T 7.75 3.74 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 1.22 0.00 0.00 93 A 7.63 3.94 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 94 L 7.61 3.75 0.00 1.34 1.54 0.89 0.62 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 95 L 7.10 3.83 0.00 1.72 1.63 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.03 4.07 0.00 1.84 1.75 0.93 0.93 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 97 I 8.46 3.69 2.00 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 1.40 0.69 0.90 0.00 0.00 98 W 8.62 4.18 0.00 3.42 3.38 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 0.00 99 E 8.69 3.94 0.00 2.28 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 1.79 2.03 0.00 100 K 8.12 4.12 0.00 1.84 2.00 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.48 7.81 101 H 7.88 4.14 0.00 2.94 2.94 0.00 5.97 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 0.00 102 Y 7.28 4.34 0.00 1.60 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 0.00 0.00 0.00 103 V 7.35 3.93 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 0.57 0.00 0.00 0.83 0.00 0.00 104 Y 7.51 4.49 0.00 2.97 2.71 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 0.00 105 G 8.44 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.33 0.00 2.16 2.03 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 107 I 7.78 3.95 1.44 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.56 0.00 0.00 108 P 0.00 4.46 0.00 2.21 1.93 0.00 3.64 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 2.17 2.05 0.00 109 H 8.47 4.34 0.00 3.38 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.06 2.76 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 111 F 7.80 4.28 0.00 3.05 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 0.00 112 E 8.04 4.18 0.00 2.26 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 2.39 2.41 0.00 113 E 8.89 3.97 0.00 2.08 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 2.43 2.43 0.00 114 E 8.18 3.95 0.00 2.13 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 2.38 2.38 0.00 115 W 8.37 4.02 0.00 3.59 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 0.00 116 V 8.35 3.92 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 1.12 0.00 0.00 1.06 0.00 0.00 117 A 7.85 4.02 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 0.00 118 K 8.08 3.77 0.00 1.45 1.59 0.00 1.38 0.00 0.00 1.32 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.48 7.81 119 Q 8.35 3.85 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 120 T 8.22 4.00 4.30 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 1.50 0.00 0.00 121 K 7.70 3.54 0.00 1.63 1.82 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.23 7.81 122 R 8.06 3.83 0.00 1.79 1.97 0.00 3.06 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 123 M 8.22 4.00 0.00 1.81 2.23 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.40 0.00 124 L 8.12 4.18 0.00 1.37 1.21 -0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.59 4.44 0.00 2.69 2.71 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 0.00 126 M 8.15 4.25 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.86 0.00 127 K 7.80 4.04 0.00 1.98 1.95 0.00 1.47 0.00 0.00 1.26 0.00 0.00 2.27 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.50 1.39 7.81 128 V 8.27 3.44 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 0.81 0.00 0.00 0.87 0.00 0.00 129 A 8.64 3.76 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.89 0.00 2.23 2.24 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 131 I 7.79 4.12 1.91 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 1.44 0.45 0.94 0.00 0.00 132 Q 8.02 4.51 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 133 G 8.30 3.84 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 0.00 0.00 0.00 134 F 8.37 4.76 0.00 3.09 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 0.00 135 S 9.31 4.08 0.00 4.21 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 0.00 136 A 8.39 4.11 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 0.00 137 K 9.05 4.50 0.00 2.05 1.93 0.00 1.79 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.44 7.81 138 W 8.46 4.61 0.00 2.76 2.77 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 0.00 0.00 0.00 0.00 139 D 7.56 4.37 0.00 2.33 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 0.00 0.00 0.00 140 Y 8.46 4.30 0.00 3.09 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 0.00 141 D 8.56 4.54 0.00 2.73 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 K 8.12 4.04 0.00 1.51 1.69 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.42 7.81 143 N 7.52 4.01 0.00 2.74 2.76 0.00 0.00 6.93 8.59 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 0.00 144 E 6.27 3.62 0.00 1.77 1.64 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 1.78 1.86 0.00 145 W 7.98 4.73 0.00 3.19 3.13 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 0.00 146 K 8.89 4.03 0.00 1.67 1.74 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.34 7.81 147 K 8.41 4.14 0.00 1.69 1.70 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.48 7.81