NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2657 8.3044 120.3232 55.3016 32.7661 176.1476 2 V 3.9970 8.2053 129.3672 62.9334 32.3097 174.0088 3 K 4.3240 9.2934 129.4138 55.6385 33.7659 175.6429 4 Q 4.3752 8.7117 127.4589 55.7751 29.5400 175.1347 5 I 4.1364 8.3753 128.9092 60.3731 37.8607 176.0242 6 E 4.6772 8.3914 126.2155 55.2139 30.7830 175.9302 7 S 4.5730 7.4676 112.2049 56.4074 66.4227 175.7416 8 K 4.0029 8.3643 123.2811 59.8894 31.8861 178.8982 9 T 3.8540 8.0051 115.3992 66.8254 68.3442 176.2251 10 A 3.9892 8.2742 122.5841 54.7951 18.3539 179.5318 11 F 4.0330 8.1800 118.9855 61.5777 39.4236 177.4073 12 Q 3.8511 8.3482 117.7566 59.1437 28.5656 178.8034 13 E 3.9559 8.5077 119.6139 59.1442 29.4938 179.2013 14 A 3.9952 8.1731 121.1964 55.1061 18.1955 179.6815 15 L 3.7695 7.3468 116.3938 57.3098 41.6077 178.8141 16 D 4.3859 7.4401 117.2873 57.0186 41.3123 177.8523 17 A 4.1010 8.6114 120.9497 54.3565 18.3603 179.1355 18 A 4.0374 8.1441 119.6577 51.6653 18.3970 179.4758 19 G 3.7834 7.9659 104.2985 47.1098 0.0000 174.6811 20 D 4.7157 8.9151 123.2938 52.5919 39.8579 176.6105 21 K 4.1988 7.8705 119.8883 56.0599 32.8828 176.4032 22 L 4.3517 8.2844 123.3750 55.2334 43.5029 175.5623 23 V 4.7029 8.9159 125.8358 61.0173 34.3915 174.0783 24 V 4.4488 8.3890 127.8252 60.9293 34.1603 174.1801 25 V 4.7781 8.5971 127.4721 61.1021 34.5464 173.5039 26 D 4.4434 8.8315 128.1140 52.6465 42.8874 175.3302 27 F 4.6725 8.6934 127.2579 56.5650 39.8618 175.0716 28 S 5.0083 8.6764 118.0200 56.3784 66.4498 172.1133 29 A 4.6275 7.6968 121.4358 50.5620 21.7936 177.5103 30 T 3.7377 8.1196 116.2512 66.4819 68.5946 175.8745 31 W 4.3776 7.6047 114.7595 57.0644 28.8345 176.8529 32 C 4.5563 7.4588 120.6322 55.2108 44.7189 173.9936 33 G 3.5230 8.5368 115.9337 47.4528 0.0000 172.2892 34 P 4.2857 0.0000 0.0000 66.0843 30.5909 178.9658 35 C 4.2940 7.9743 114.6539 59.6846 39.7402 175.6747 36 K 4.0652 7.9077 119.7113 59.7397 31.4245 179.3832 37 M 4.2096 8.1637 117.9950 57.3741 32.0575 177.5313 38 I 4.4727 7.4068 116.7833 60.6699 38.4224 177.1677 39 K 4.1178 7.8374 118.7695 59.8394 31.9482 177.2681 40 P 4.2935 0.0000 0.0000 65.6298 31.3140 178.4565 41 F 4.2763 8.3540 119.0301 61.0527 39.1278 176.6679 42 F 3.9459 8.4512 119.7776 61.5704 39.6419 176.3338 43 H 3.9453 8.5853 118.2719 59.1291 29.6621 177.1543 44 S 4.0171 8.3662 116.4924 61.6737 62.4447 176.6371 45 L 3.7895 7.2551 122.4938 57.1664 41.0017 179.4514 46 S 3.0449 6.5839 112.7293 60.3165 62.8694 175.6346 47 E 4.1691 7.4542 120.7386 57.8962 29.7769 178.0097 48 K 4.1525 7.7108 119.2884 58.1701 33.0387 177.0433 49 Y 4.5190 8.0565 121.1193 56.2286 38.2042 176.4847 50 S 4.3275 8.5505 122.1196 60.9949 63.3525 175.0378 51 N 4.8861 8.1670 116.1219 52.6967 37.3788 174.4655 52 V 4.5790 7.4437 115.8780 61.7828 34.9819 174.5022 53 I 4.5991 8.4583 126.2395 59.5074 40.0338 174.6248 54 F 5.1177 8.7813 124.0221 55.7630 42.0579 173.9919 55 L 5.3666 9.1180 123.5987 52.8946 45.3642 175.1507 56 E 4.8850 8.9451 121.7074 54.3759 33.2916 174.4098 57 V 4.4747 8.3506 126.5097 60.9846 34.5328 173.5442 58 D 5.0168 8.5129 128.0734 53.0717 41.9771 177.2076 59 V 3.7404 8.8074 121.0928 64.7081 31.9927 178.5643 60 D 4.5483 7.8682 117.7511 57.3761 40.8466 177.5134 61 D 4.4971 8.1423 117.5468 56.3772 41.9316 176.7941 62 C 4.8331 7.8950 116.4849 58.3243 27.8749 174.8908 63 Q 4.1413 7.8171 122.0826 58.2163 28.6467 178.5973 64 D 4.2253 7.9518 118.7371 57.4105 41.5154 178.1846 65 V 3.4139 7.7027 118.0071 65.7249 31.4895 177.5906 66 A 3.8072 8.1838 120.6113 55.3743 18.3798 179.8182 67 S 4.0207 8.1640 113.7294 61.5627 62.6364 176.5758 68 E 3.9260 8.1378 121.2689 59.4518 29.5784 178.0684 69 C 4.3015 7.8684 113.0637 59.0703 29.4584 173.0853 70 E 3.6401 7.5330 119.1671 57.2533 26.9188 175.3286 71 V 3.5667 7.3297 116.9989 62.6890 32.7465 174.4584 72 K 4.3614 8.6394 124.8750 57.8432 33.8878 176.0867 73 C 4.8794 7.7320 113.3358 58.1167 30.8414 172.8666 74 M 4.4935 8.2084 120.6490 52.8774 33.8746 174.4432 75 P 4.5660 0.0000 0.0000 62.6619 33.6186 174.7903 76 T 4.6845 7.9063 116.3102 61.6383 71.9645 173.1344 77 F 5.5032 8.4539 123.7419 54.8575 41.9375 174.3581 78 Q 5.1318 8.7125 121.7545 54.0640 32.4229 174.3344 79 F 5.2576 8.9222 120.6123 55.7636 42.3534 174.3510 80 F 5.3815 9.4186 121.2907 55.6856 43.4028 174.3439 81 K 4.6276 8.6488 121.0505 54.7533 35.7812 176.7804 82 K 3.9421 9.6868 126.2183 57.5657 29.3736 177.1415 83 G 3.9900 8.4669 105.4777 45.7651 0.0000 174.1174 84 Q 4.4818 8.0264 119.7829 54.3195 29.9764 174.8723 85 K 3.9433 8.5886 123.7841 56.2088 32.4735 176.6179 86 V 4.2583 8.2012 119.4948 61.3402 33.0276 175.4345 87 G 4.0955 7.2795 106.4427 45.7901 0.0000 171.8529 88 E 5.9800 9.1031 117.2102 56.4756 32.2607 174.7458 89 F 5.0873 8.1112 119.3551 56.4518 41.3766 172.8361 90 S 5.0832 9.0227 115.1381 57.6564 65.5250 174.6365 91 G 4.1404 8.6928 110.5084 45.5572 0.0000 174.6069 92 A 4.5806 8.3372 125.5901 50.5067 17.6387 176.7363 93 N 4.8619 7.9790 120.1303 51.0701 40.6136 175.4000 94 K 4.0732 8.5186 126.9900 59.1181 32.1215 179.2535 95 E 3.9523 8.0383 117.6181 59.4621 29.7358 179.0012 96 K 3.9248 8.4970 121.2682 58.5165 32.1239 178.4795 97 L 4.3436 7.8300 120.4606 58.4485 42.1239 178.6906 98 E 4.1020 8.4087 118.5336 58.8465 29.4397 178.4508 99 A 3.9969 8.5327 121.4959 55.5369 18.3956 179.8028 100 T 3.6769 8.1324 114.4328 66.4138 68.3914 177.0654 101 I 3.6449 7.5533 121.3232 64.6573 37.0214 178.3053 102 N 4.4367 7.9851 115.3224 55.7649 38.3346 176.6831 103 E 4.1017 7.5743 120.5250 58.3025 29.9509 177.5192 104 L 4.3996 7.6639 116.0909 54.5948 42.2713 176.7805 105 V 3.7563 7.6192 124.2504 63.0874 31.4448 175.3710 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 8.30 4.27 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 2 V 8.21 4.00 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 0.99 0.00 0.00 0.76 0.00 0.00 3 K 9.29 4.32 0.00 1.76 1.74 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.41 7.81 4 Q 8.71 4.38 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 5 I 8.38 4.14 2.01 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 1.26 1.05 1.02 0.00 0.00 6 E 8.39 4.68 0.00 1.91 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 2.19 2.19 0.00 7 S 7.47 4.57 0.00 3.99 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 8 K 8.36 4.00 0.00 1.85 1.87 0.00 1.90 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.53 7.81 9 T 8.01 3.85 4.25 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 1.22 0.00 0.00 10 A 8.27 3.99 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 11 F 8.18 4.03 0.00 3.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.35 3.85 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.73 0.00 13 E 8.51 3.96 0.00 2.08 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 2.30 2.43 0.00 14 A 8.17 4.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.35 3.77 0.00 1.46 1.46 -0.21 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.44 4.39 0.00 2.78 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 17 A 8.61 4.10 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 18 A 8.14 4.04 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 19 G 7.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.92 4.72 0.00 2.79 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 21 K 7.87 4.20 0.00 1.83 1.76 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.43 7.81 22 L 8.28 4.35 0.00 1.76 1.46 1.06 0.79 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 23 V 8.92 4.70 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 0.90 0.00 0.00 0.92 0.00 0.00 24 V 8.39 4.45 1.72 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 0.73 0.00 0.00 0.67 0.00 0.00 25 V 8.60 4.78 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 1.14 0.00 0.00 26 D 8.83 4.44 0.00 1.75 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 0.00 0.00 0.00 27 F 8.69 4.67 0.00 2.91 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 28 S 8.68 5.01 0.00 3.76 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.63 0.46 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 30 T 8.12 3.74 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 1.25 0.00 0.00 31 W 7.60 4.38 0.00 3.55 3.17 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 0.00 0.00 0.00 32 C 7.46 4.56 0.00 2.16 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 33 G 8.54 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 34 P 0.00 4.29 0.00 2.29 2.38 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 35 C 7.97 4.29 0.00 2.96 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.91 4.07 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 37 M 8.16 4.21 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 38 I 7.41 4.47 2.02 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 1.16 0.00 0.00 39 K 7.84 4.12 0.00 2.09 1.92 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.66 7.81 40 P 0.00 4.29 0.00 2.25 2.15 0.00 3.71 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 2.17 2.19 0.00 41 F 8.35 4.28 0.00 3.17 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.45 3.95 0.00 3.26 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 43 H 8.59 3.95 0.00 3.37 3.33 0.00 5.85 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 44 S 8.37 4.02 0.00 3.94 4.17 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 0.00 0.00 0.00 45 L 7.26 3.79 0.00 1.10 1.30 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.58 3.04 0.00 3.68 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 47 E 7.45 4.17 0.00 1.96 1.95 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 2.18 2.18 0.00 48 K 7.71 4.15 0.00 1.60 1.85 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.58 1.13 7.81 49 Y 8.06 4.52 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.33 0.00 3.88 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 51 N 8.17 4.89 0.00 2.86 2.94 0.00 0.00 5.71 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 52 V 7.44 4.58 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 0.20 0.00 0.00 0.90 0.00 0.00 53 I 8.46 4.60 1.77 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 1.18 0.81 0.88 0.00 0.00 54 F 8.78 5.12 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.12 5.37 0.00 1.65 1.54 0.90 0.28 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 56 E 8.95 4.88 0.00 2.08 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 57 V 8.35 4.47 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 0.00 0.00 0.83 0.00 0.00 0.51 0.00 0.00 58 D 8.51 5.02 0.00 2.71 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 59 V 8.81 3.74 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 0.97 0.00 0.00 0.96 0.00 0.00 60 D 7.87 4.55 0.00 2.87 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 61 D 8.14 4.50 0.00 2.66 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 62 C 7.89 4.83 0.00 2.94 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 63 Q 7.82 4.14 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 64 D 7.95 4.23 0.00 2.77 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 65 V 7.70 3.41 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 0.27 0.00 0.00 0.81 0.00 0.00 66 A 8.18 3.81 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 67 S 8.16 4.02 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.14 3.93 0.00 2.07 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 2.34 2.41 0.00 69 C 7.87 4.30 0.00 2.56 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 70 E 7.53 3.64 0.00 2.05 1.92 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 2.30 2.37 0.00 71 V 7.33 3.57 1.79 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 0.56 0.00 0.00 -0.13 0.00 0.00 72 K 8.64 4.36 0.00 1.70 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.46 7.81 73 C 7.73 4.88 0.00 2.92 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 74 M 8.21 4.49 0.00 1.61 1.73 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 1.62 2.32 0.00 75 P 0.00 4.57 0.00 1.39 1.88 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 76 T 7.91 4.68 4.08 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 1.12 0.00 0.00 77 F 8.45 5.50 0.00 2.30 2.45 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 78 Q 8.71 5.13 0.00 2.33 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 79 F 8.92 5.26 0.00 3.01 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 80 F 9.42 5.38 0.00 2.91 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 81 K 8.65 4.63 0.00 1.71 1.70 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 82 K 9.69 3.94 0.00 1.93 1.91 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.43 7.81 83 G 8.47 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 0.00 0.00 0.00 84 Q 8.03 4.48 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 85 K 8.59 3.94 0.00 1.49 1.61 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.22 0.91 7.81 86 V 8.20 4.26 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 0.72 0.00 0.00 1.00 0.00 0.00 87 G 7.28 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 0.00 0.00 0.00 88 E 9.10 5.98 0.00 1.98 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 2.11 2.15 0.00 89 F 8.11 5.09 0.00 3.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 9.02 5.08 0.00 3.93 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 91 G 8.69 4.14 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 0.00 92 A 8.34 4.58 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 93 N 7.98 4.86 0.00 2.79 2.81 0.00 0.00 7.07 6.01 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 94 K 8.52 4.07 0.00 1.44 0.74 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.31 7.81 95 E 8.04 3.95 0.00 2.17 2.16 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 2.52 2.31 0.00 96 K 8.50 3.92 0.00 1.67 1.45 0.00 1.32 0.00 0.00 1.32 0.00 0.00 2.46 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.34 1.06 7.81 97 L 7.83 4.34 0.00 2.10 2.08 0.85 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.41 4.10 0.00 2.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 99 A 8.53 4.00 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 0.00 100 T 8.13 3.68 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 0.33 0.00 0.00 101 I 7.55 3.64 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.99 0.32 0.00 0.00 102 N 7.99 4.44 0.00 2.85 2.92 0.00 0.00 7.11 7.28 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 0.00 103 E 7.57 4.10 0.00 1.99 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 2.26 2.41 0.00 104 L 7.66 4.40 0.00 1.59 1.65 0.59 0.79 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 0.00 105 V 7.62 3.76 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 0.76 0.00 0.00 0.91 0.00 0.00