NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7009 8.4249 119.2033 53.4447 39.4277 173.1782 4 I 4.7170 8.0256 126.3889 59.2566 41.1477 173.2215 5 T 4.9999 9.2404 123.1020 61.6498 72.4075 172.3680 6 I 4.8446 8.5392 126.1600 59.4231 40.7124 174.0579 7 Y 4.8653 9.4249 128.0625 57.6260 37.9198 173.5429 8 H 5.1737 9.6734 125.1347 53.4038 33.2250 172.9871 9 N 4.6159 8.6207 123.0746 51.0285 39.2888 173.1357 10 P 4.2011 0.0000 0.0000 64.6418 31.5923 177.2086 11 A 4.5238 8.1735 120.5658 51.8821 18.9723 176.5760 12 C 4.8659 8.0233 118.9726 58.1237 34.2267 174.6583 13 G 3.7222 8.8063 115.2619 48.4172 0.0000 175.1199 14 T 3.9684 7.9212 117.5256 66.4342 67.9613 176.5299 15 S 4.1797 8.0545 114.5615 61.3798 62.5576 176.1915 16 R 4.0567 8.2375 120.8188 59.4560 29.7845 178.7514 17 N 4.5445 8.7125 116.6179 56.6801 38.4543 177.6194 18 T 3.7647 7.9863 117.0580 66.4450 68.5824 176.3693 19 L 3.8861 8.0759 122.2890 58.4093 42.1303 178.9832 20 E 4.0989 8.4043 118.3566 59.6065 29.1286 179.3108 21 M 3.4798 7.7551 118.3543 57.9290 32.1599 178.2979 22 I 3.7883 7.8790 120.3395 64.7406 37.3269 178.7003 23 R 4.2334 7.9372 119.8491 58.5991 29.8047 178.2348 24 N 4.5491 8.3167 116.1016 55.1983 38.8139 175.9658 25 S 4.6455 7.8459 113.9695 59.0935 63.6873 174.7260 26 G 4.0642 8.5007 111.5031 45.3415 0.0000 173.3810 27 T 4.5554 7.5233 108.7749 59.3118 71.6072 172.5116 28 E 4.3624 8.6586 125.2784 54.6524 30.0105 174.1906 29 P 4.7265 0.0000 0.0000 62.2696 33.1445 175.9977 30 T 4.0330 8.7892 118.2597 63.7633 69.4740 173.5897 31 I 4.6859 8.3206 126.8904 59.6346 39.4904 174.8960 32 I 4.2098 8.4724 128.9209 59.5389 39.2459 175.6430 33 L 4.8835 8.7600 128.0915 52.7198 40.1276 176.9323 34 Y 4.4770 8.3191 121.6871 59.5845 38.3906 178.6353 35 L 3.9612 7.0972 119.6311 57.0011 41.9135 177.6063 36 E 4.3732 7.9879 116.2953 57.3047 30.9376 176.0074 37 N 5.0745 8.1486 114.7348 50.7318 38.7904 172.0308 38 P 4.7312 0.0000 0.0000 61.4804 32.7183 175.4306 39 P 4.4957 0.0000 0.0000 62.4842 31.8179 176.7872 40 S 4.3787 8.4162 115.2449 58.0508 64.9100 175.3556 41 R 3.8456 8.4198 121.2983 59.7667 29.7851 177.9581 42 D 4.3425 8.0951 118.1054 57.5042 40.7710 178.4095 43 E 3.9531 8.1590 119.6394 59.0604 29.6630 178.6038 44 L 3.8113 8.2664 120.8982 58.0713 42.1625 179.0075 45 V 3.5726 8.0388 118.5285 65.9009 31.3100 177.9630 46 K 3.9433 8.0960 119.3560 59.3947 31.9866 178.8204 47 L 3.9451 8.1065 119.4844 57.8549 39.9529 179.6024 48 I 3.6352 7.8576 119.4721 64.1824 36.9035 178.2789 49 A 4.0977 7.9080 121.5800 55.4967 18.0453 179.5028 50 D 4.3445 8.1662 116.0193 57.3090 41.0034 178.3956 51 M 4.6100 7.5979 119.4311 54.8967 32.0660 176.6608 52 G 3.9423 7.7021 107.1755 46.3679 0.0000 173.3130 53 I 4.5306 6.8552 111.0322 57.9822 40.2411 175.2310 54 S 4.3853 8.2413 115.4195 57.7288 64.0609 175.0714 55 V 3.7084 8.5042 120.7777 66.4311 31.2081 178.1859 56 R 3.9467 8.0945 117.5411 59.4148 29.7216 177.9740 57 A 4.1015 7.9559 119.3457 54.3040 18.5696 178.0306 58 L 4.0884 7.8890 118.7661 56.5110 42.6366 176.3014 59 L 4.7150 7.6793 119.1351 54.7012 42.1388 176.7236 60 A 4.0870 8.9382 127.0729 51.7793 19.0362 177.5931 61 K 2.7888 8.3020 122.0879 55.4584 34.3849 176.8697 62 N 4.5271 8.2815 114.6440 54.5042 36.0053 175.2571 63 V 4.5067 6.9117 110.3908 58.8789 35.6816 175.8963 64 E 3.9208 8.7348 122.2916 59.2924 29.3938 177.7871 65 P 4.0979 0.0000 0.0000 65.7980 31.1067 177.6021 66 Y 3.7847 7.9306 118.9601 60.4762 38.1939 177.7992 67 E 4.0487 8.1801 119.1980 59.8205 29.4977 179.4967 68 Q 4.0245 8.1171 116.7466 58.4483 28.9350 177.3250 69 L 4.0735 7.9782 115.9322 54.1629 42.0731 176.7903 70 G 3.8496 7.6549 107.0263 46.5829 0.0000 175.9826 71 L 3.4438 7.1239 120.5759 56.0460 41.6934 178.7462 72 A 4.2368 7.1935 120.3172 54.1436 18.5787 177.8239 73 E 4.2396 7.8740 115.2141 56.3155 30.4628 177.3928 74 D 4.7493 8.3560 123.4218 53.3348 39.6131 175.8022 75 K 4.4342 7.6489 115.0591 55.1727 34.3826 176.1712 76 F 5.0998 7.8747 117.2716 55.1951 42.2843 175.6637 77 T 4.3045 9.0973 116.4634 61.1125 70.8736 175.4980 78 D 4.4247 8.6253 121.1569 57.9712 40.8565 179.0490 79 D 4.4650 8.0845 118.6104 57.1078 40.7808 178.5865 80 Q 3.8541 7.8344 118.7549 59.0410 28.7462 179.0420 81 L 4.1644 8.0813 119.7943 57.7818 41.6758 179.4835 82 I 3.6990 8.1703 120.2051 64.7542 37.0928 178.2953 83 D 4.3454 8.1505 119.4548 57.2137 40.5662 178.8633 84 F 4.4751 8.2152 118.5998 60.8640 38.3425 177.5262 85 M 4.1738 8.4157 118.4476 58.5075 31.5327 178.8489 86 L 4.0720 7.9196 118.1129 57.7417 41.8636 179.0909 87 Q 4.3010 8.0005 116.6121 57.1747 30.3103 176.2359 88 H 4.9456 8.2079 116.7570 52.9897 29.6921 172.0366 89 P 4.5522 0.0000 0.0000 64.3519 31.8643 178.7020 90 I 3.8756 7.8489 117.1502 63.4974 38.2200 176.7498 91 L 4.1216 8.4144 120.4144 57.0265 41.6307 176.4359 92 I 4.2322 7.6917 120.3226 60.5160 37.0823 175.8257 93 N 4.7106 8.9397 127.2767 53.5683 39.7352 173.9608 94 R 4.7852 8.1469 117.3995 53.7960 32.9438 172.6760 95 P 4.9444 0.0000 0.0000 61.3808 34.0115 174.3435 96 I 4.7372 8.1613 121.9580 60.3116 39.1994 174.7393 97 V 4.9380 8.7642 126.3535 61.0286 34.7776 174.0960 98 V 5.0200 9.0405 127.9362 61.3977 34.0153 174.4395 99 T 5.1472 8.8336 117.1242 59.0686 72.2246 173.1367 100 P 4.3380 0.0000 0.0000 65.3037 31.4365 178.1966 101 L 4.1157 7.6568 116.7206 55.1223 41.9239 176.9716 102 G 3.9814 6.4496 105.3125 45.8677 0.0000 170.4621 103 T 5.1920 7.6066 114.4400 61.8467 72.2259 173.8372 104 R 4.6816 8.7943 123.3544 54.2023 35.1242 174.2403 105 L 4.3856 8.5322 124.8225 54.8174 42.4336 177.4032 106 C 4.5095 8.8049 129.4157 58.4910 26.4793 173.2618 107 R 4.5893 7.5323 116.3743 53.3188 32.5688 174.2831 108 P 4.5845 0.0000 0.0000 61.7313 32.5738 177.4079 109 S 4.4676 8.9754 115.3533 60.9706 62.5782 175.9689 110 E 4.0611 8.1006 119.2948 57.7621 29.2884 178.5871 111 V 3.6110 7.9124 120.5210 66.2002 31.4608 177.9689 112 V 3.5886 8.0058 118.7764 64.5425 30.7830 178.2546 113 L 4.0184 7.6253 118.8944 57.5310 41.3812 178.7346 114 D 4.5004 8.1011 119.0834 56.5210 40.8853 177.1618 115 I 4.2382 7.3682 109.6812 60.4646 38.5864 175.6557 116 L 4.1642 7.6838 122.4423 54.6440 41.9820 176.9239 117 Q 4.1044 8.8405 123.3793 58.4051 29.0274 176.3768 118 D 4.8085 7.7011 115.7457 52.2137 42.5820 176.2642 119 A 4.2028 8.2584 125.4597 51.6007 19.1670 177.4290 120 Q 4.1856 8.5019 118.7120 56.6700 29.0944 177.8709 121 K 4.1435 8.9569 121.4224 57.6394 32.4945 176.5418 122 G 4.0845 7.3639 103.5662 45.5928 0.0000 172.8663 123 A 4.6477 9.2115 122.1790 52.3274 19.2264 177.2961 124 F 4.7020 9.3028 122.3114 56.6287 42.6636 173.7852 125 T 4.8648 7.4193 121.7500 61.3010 71.3270 174.2799 126 K 4.3250 9.0229 126.1710 55.9105 33.0061 177.7234 127 E 3.8648 8.9852 120.5495 59.9147 29.2998 178.5743 128 D 4.5265 8.0028 114.3178 53.4978 39.7089 176.9924 129 G 3.8748 8.1599 108.8994 45.2478 0.0000 173.7042 130 E 4.0635 8.4335 120.8561 55.8607 29.5940 176.4669 131 K 4.3864 8.5892 124.4733 56.3926 33.0709 176.3266 132 V 4.1988 8.9358 123.4507 64.0798 32.8088 175.7475 133 V 4.8705 7.4544 112.2021 59.3710 35.1976 175.4651 134 D 5.0793 8.5297 123.2616 51.9187 41.1298 176.8704 135 E 3.9684 8.6354 118.8000 59.1680 29.6176 177.6412 136 A 4.0441 7.9628 120.1106 53.4626 18.6341 178.0087 137 G 3.9964 8.2902 103.9485 44.7535 0.0000 173.6901 138 K 4.1637 8.3431 122.0592 55.4743 32.8589 176.3431 139 R 4.5259 8.4678 125.4692 56.3585 30.6124 176.6560 140 L 4.2393 8.6072 122.2625 55.0088 41.6765 176.5802 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 3 N 8.42 4.70 0.00 2.69 2.83 0.00 0.00 6.79 7.06 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 4 I 8.03 4.72 1.85 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 1.33 0.80 0.95 0.00 0.00 5 T 9.24 5.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 6 I 8.54 4.84 1.86 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 1.30 1.83 0.92 0.00 0.00 7 Y 9.42 4.87 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.67 5.17 0.00 3.21 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.62 4.62 0.00 2.91 2.77 0.00 0.00 7.17 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 10 P 0.00 4.20 0.00 2.04 2.10 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 11 A 8.17 4.52 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.02 4.87 0.00 3.02 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 13 G 8.81 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 14 T 7.92 3.97 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 15 S 8.05 4.18 0.00 3.98 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.24 4.06 0.00 2.10 2.03 0.00 3.23 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 17 N 8.71 4.54 0.00 2.77 3.02 0.00 0.00 7.08 6.95 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 18 T 7.99 3.76 4.40 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 1.19 0.00 0.00 19 L 8.08 3.89 0.00 1.70 1.86 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.40 4.10 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 21 M 7.76 3.48 0.00 1.62 1.81 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.62 0.00 22 I 7.88 3.79 1.98 0.00 0.00 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 1.47 0.81 0.93 0.00 0.00 23 R 7.94 4.23 0.00 2.03 2.00 0.00 3.34 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 24 N 8.32 4.55 0.00 3.06 3.06 0.00 0.00 6.86 7.23 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 25 S 7.85 4.65 0.00 4.25 3.92 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 26 G 8.50 4.06 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 0.00 0.00 0.00 27 T 7.52 4.56 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 28 E 8.66 4.36 0.00 1.92 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 2.24 2.33 0.00 29 P 0.00 4.73 0.00 2.07 2.00 0.00 3.79 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 1.94 1.95 0.00 30 T 8.79 4.03 4.26 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 1.14 0.00 0.00 31 I 8.32 4.69 1.85 0.00 0.00 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 1.29 0.71 0.93 0.00 0.00 32 I 8.47 4.21 1.28 0.00 0.00 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 1.07 0.32 0.96 0.00 0.00 33 L 8.76 4.88 0.00 1.68 1.54 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.32 4.48 0.00 3.23 3.43 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 35 L 7.10 3.96 0.00 1.40 1.62 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.99 4.37 0.00 2.04 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 2.21 2.24 0.00 37 N 8.15 5.07 0.00 2.68 2.76 0.00 0.00 7.05 8.76 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 38 P 0.00 4.73 0.00 2.25 2.25 0.00 3.90 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 2.04 2.01 0.00 39 P 0.00 4.50 0.00 2.16 2.03 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 40 S 8.42 4.38 0.00 4.08 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 0.00 41 R 8.42 3.85 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 42 D 8.10 4.34 0.00 2.73 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 43 E 8.16 3.95 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 2.41 2.39 0.00 44 L 8.27 3.81 0.00 1.78 1.74 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.04 3.57 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 0.93 0.00 0.00 0.99 0.00 0.00 46 K 8.10 3.94 0.00 1.88 1.95 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 47 L 8.11 3.95 0.00 1.77 1.58 0.46 0.98 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 48 I 7.86 3.64 1.84 0.00 0.00 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 1.41 0.90 0.94 0.00 0.00 49 A 7.91 4.10 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 50 D 8.17 4.34 0.00 2.64 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 51 M 7.60 4.61 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.38 0.00 52 G 7.70 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 6.86 4.53 1.86 0.00 0.00 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 1.33 0.75 0.94 0.00 0.00 54 S 8.24 4.39 0.00 4.01 3.92 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 55 V 8.50 3.71 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 1.08 0.00 0.00 0.99 0.00 0.00 56 R 8.09 3.95 0.00 1.97 1.95 0.00 3.29 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 57 A 7.96 4.10 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 L 7.89 4.09 0.00 1.72 1.79 0.82 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.68 4.72 0.00 1.80 1.80 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.94 4.09 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 61 K 8.30 2.79 0.00 1.42 1.24 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.65 1.11 7.81 62 N 8.28 4.53 0.00 2.77 2.90 0.00 0.00 7.10 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 63 V 6.91 4.51 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 0.97 0.00 0.00 1.02 0.00 0.00 64 E 8.73 3.92 0.00 2.03 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 2.46 2.38 0.00 65 P 0.00 4.10 0.00 2.15 2.10 0.00 3.68 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 2.08 2.03 0.00 66 Y 7.93 3.78 0.00 2.95 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.18 4.05 0.00 2.19 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 2.64 2.53 0.00 68 Q 8.12 4.02 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 69 L 7.98 4.07 0.00 1.17 0.99 0.20 0.75 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 70 G 7.65 3.85 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 0.00 0.00 0.00 71 L 7.12 3.44 0.00 0.33 1.04 0.52 -0.67 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 72 A 7.19 4.24 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 73 E 7.87 4.24 0.00 2.21 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 2.35 2.26 0.00 74 D 8.36 4.75 0.00 2.66 2.60 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 75 K 7.65 4.43 0.00 0.85 1.14 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.15 1.26 7.81 76 F 7.87 5.10 0.00 3.05 3.03 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 77 T 9.10 4.30 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 1.23 0.00 0.00 78 D 8.63 4.42 0.00 2.76 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 79 D 8.08 4.46 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 80 Q 7.83 3.85 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 81 L 8.08 4.16 0.00 1.93 1.77 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.17 3.70 1.99 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 1.51 0.94 0.89 0.00 0.00 83 D 8.15 4.35 0.00 2.59 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 84 F 8.22 4.48 0.00 3.17 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 85 M 8.42 4.17 0.00 2.08 2.29 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 2.88 2.62 0.00 86 L 7.92 4.07 0.00 1.77 1.74 0.95 0.82 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 87 Q 8.00 4.30 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.19 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 88 H 8.21 4.95 0.00 3.26 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.55 0.00 2.27 2.36 0.00 3.92 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 2.16 2.11 0.00 90 I 7.85 3.88 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.96 0.00 0.00 91 L 8.41 4.12 0.00 1.90 1.76 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.69 4.23 1.72 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 1.06 0.57 0.56 0.00 0.00 93 N 8.94 4.71 0.00 2.83 2.66 0.00 0.00 7.01 7.19 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 94 R 8.15 4.79 0.00 1.88 1.82 0.00 3.42 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 95 P 0.00 4.94 0.00 2.20 2.30 0.00 4.02 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.87 0.00 96 I 8.16 4.74 1.79 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.38 0.88 0.00 0.00 97 V 8.76 4.94 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 0.94 0.00 0.00 0.95 0.00 0.00 98 V 9.04 5.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.06 0.00 0.00 99 T 8.83 5.15 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 1.24 0.00 0.00 100 P 0.00 4.34 0.00 2.06 2.16 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 101 L 7.66 4.12 0.00 1.82 1.72 0.91 0.83 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 0.00 102 G 6.45 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 0.00 103 T 7.61 5.19 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 1.27 0.00 0.00 104 R 8.79 4.68 0.00 1.67 1.73 0.00 3.27 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 105 L 8.53 4.39 0.00 1.59 1.57 0.90 0.89 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 0.00 106 C 8.80 4.51 0.00 2.90 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 0.00 107 R 7.53 4.59 0.00 1.73 1.82 0.00 3.41 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 108 P 0.00 4.58 0.00 2.55 2.20 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 109 S 8.98 4.47 0.00 4.06 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.10 4.06 0.00 2.17 2.25 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 2.36 2.31 0.00 111 V 7.91 3.61 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 1.10 0.00 0.00 0.95 0.00 0.00 112 V 8.01 3.59 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 0.68 0.00 0.00 0.89 0.00 0.00 113 L 7.63 4.02 0.00 1.69 1.75 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.10 4.50 0.00 2.74 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 0.00 115 I 7.37 4.24 1.86 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 1.28 0.59 0.90 0.00 0.00 116 L 7.68 4.16 0.00 1.62 1.63 0.84 0.90 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 0.00 117 Q 8.84 4.10 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.70 4.81 0.00 2.78 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 0.00 119 A 8.26 4.20 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 0.00 120 Q 8.50 4.19 0.00 2.07 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 121 K 8.96 4.14 0.00 1.84 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 122 G 7.36 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 0.00 0.00 0.00 0.00 123 A 9.21 4.65 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 0.00 124 F 9.30 4.70 0.00 3.19 2.89 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 0.00 125 T 7.42 4.86 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 1.18 0.00 0.00 126 K 9.02 4.33 0.00 1.93 1.80 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.71 1.68 7.81 127 E 8.99 3.86 0.00 1.97 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 2.36 2.49 0.00 128 D 8.00 4.53 0.00 2.78 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 0.00 129 G 8.16 3.87 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 0.00 0.00 0.00 130 E 8.43 4.06 0.00 2.09 1.93 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 2.34 2.78 0.00 131 K 8.59 4.39 0.00 1.76 1.76 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 132 V 8.94 4.20 2.48 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 1.11 0.00 0.00 1.14 0.00 0.00 133 V 7.45 4.87 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 0.81 0.00 0.00 1.02 0.00 0.00 134 D 8.53 5.08 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.64 3.97 0.00 1.94 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 2.30 2.38 0.00 136 A 7.96 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.29 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 0.00 0.00 0.00 138 K 8.34 4.16 0.00 1.83 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.41 7.81 139 R 8.47 4.53 0.00 1.85 1.87 0.00 3.69 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 140 L 8.61 4.24 0.00 1.65 1.58 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00