NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3712 8.3344 115.4111 58.3676 64.8327 173.3714 2 M 4.2172 8.2343 118.4712 55.0407 30.3880 174.7563 3 Q 3.9851 8.0888 121.4949 58.1993 30.6314 176.0312 4 D 4.7862 7.7197 118.2131 51.4633 42.1246 173.4355 5 P 4.3543 0.0000 0.0000 65.8512 31.8496 178.3897 6 I 3.6361 8.0606 119.4859 64.2267 36.8193 177.4796 7 A 3.8993 8.0450 121.1278 55.6089 18.1132 178.8220 8 D 4.4126 7.6512 117.2871 57.4015 41.1436 178.3496 9 M 3.9974 8.2189 118.5128 58.2559 32.1610 177.7326 10 L 3.9136 7.8758 118.6435 58.3126 41.7908 179.5179 11 T 3.7859 8.6227 110.2306 65.1045 68.7162 176.4269 12 R 3.9097 8.3312 122.1819 58.9154 30.0771 178.5740 13 I 3.7460 7.9063 120.1938 63.7946 36.8292 178.1927 14 R 3.8495 7.7207 117.4553 59.8433 29.4628 178.1221 15 N 4.5033 8.2148 117.6135 55.8504 38.4909 177.6587 16 G 3.5757 7.8846 106.3854 48.0117 0.0000 175.6873 17 Q 4.0000 7.9221 119.1699 58.1069 28.9816 179.1826 18 A 4.2257 7.7217 121.7823 54.8435 18.4810 178.6001 19 A 4.4485 7.9405 117.2276 51.4353 18.3346 177.3462 20 N 5.2036 7.7996 112.1725 53.4804 36.9003 174.8497 21 K 3.9774 7.5489 116.8310 56.5828 32.8691 176.9205 22 A 4.1359 8.9366 126.6592 54.9976 18.8543 175.9384 23 A 5.1152 7.4976 116.3241 51.4540 22.1263 174.7796 24 V 4.5613 8.5715 112.1238 61.5249 35.3556 173.6138 25 T 5.7270 9.1476 117.0671 60.2729 72.6577 173.1166 26 M 4.4834 8.1062 123.7720 54.4124 33.1211 172.9300 27 P 5.2093 0.0000 0.0000 62.6633 31.4920 175.9129 28 S 4.3684 8.6732 122.0246 58.7878 63.5875 174.3009 29 S 4.7516 8.3925 117.8320 55.4534 65.8222 174.7184 30 K 3.8542 8.8189 122.9594 59.9095 31.9156 178.3195 31 L 4.0699 7.7928 119.7658 58.1752 42.2787 178.5154 32 K 3.7664 7.6441 118.5150 60.4029 31.9315 178.2290 33 V 3.2915 7.8824 117.4634 65.2476 31.1801 177.4435 34 A 3.9890 7.9057 119.0722 55.5944 18.4628 179.6628 35 I 3.5688 7.5124 117.6286 64.6077 37.2775 178.6069 36 A 3.8830 8.1125 121.8887 54.8016 17.9997 179.2467 37 N 4.4950 8.3010 116.1267 56.9131 39.0496 177.0636 38 V 3.6227 7.7107 119.5763 66.3173 31.5978 177.8106 39 L 4.2555 7.9474 118.4478 57.9979 41.2052 179.6066 40 K 4.7804 7.8256 120.0542 58.8874 32.3651 178.7038 41 E 4.1517 8.2797 118.9641 59.2816 29.4503 179.9913 42 E 4.4029 8.2666 117.4153 56.8047 30.1577 176.8892 43 G 4.0575 7.9745 104.4426 46.4742 0.0000 175.6032 44 F 4.8213 8.2109 120.2343 59.0033 39.7500 176.7231 45 I 4.7270 7.4770 112.3717 58.7247 39.9070 174.7421 46 E 3.8886 7.6772 121.4784 59.1762 30.5870 178.5911 47 D 4.5529 8.9508 119.7798 55.2439 46.8930 172.1969 48 F 5.7330 8.5037 112.3456 58.7581 41.5352 173.2026 49 K 4.3615 8.4755 115.5375 55.3597 35.1361 176.5166 50 V 4.4359 8.2416 130.2057 60.7878 29.4955 175.5543 51 E 3.9455 8.1943 123.0496 58.0350 31.6377 174.6623 52 G 4.2457 8.8288 116.3033 46.7623 0.0000 173.1216 53 D 4.3692 8.6266 125.1727 57.2158 41.4412 177.4208 54 T 3.8851 7.8173 111.8162 64.0642 67.7766 173.3736 55 K 4.5696 7.6676 120.2971 53.3853 34.5055 173.9431 56 P 4.8642 0.0000 0.0000 63.1656 32.9587 175.4684 57 E 4.8966 9.2414 121.9019 54.8837 33.8704 174.1759 58 L 4.6444 9.3716 128.8161 53.9226 43.1814 177.2458 59 E 4.5825 9.0615 131.5691 55.4183 28.2637 177.2922 60 L 4.5600 7.8745 121.5421 55.6405 43.6862 177.2174 61 T 4.5230 8.9615 119.0147 60.9013 69.5070 174.2158 62 L 4.2407 8.1630 125.9661 55.1143 42.6370 176.8121 63 K 4.8366 8.6698 123.3132 55.0018 35.0560 174.5525 64 Y 5.2571 8.8244 122.8601 56.3552 42.7585 175.9762 65 F 5.4451 8.4829 124.3094 58.5720 40.0734 177.6433 66 Q 4.3971 7.7116 122.9277 55.0907 27.3040 177.7414 67 G 3.8997 8.5380 111.8934 45.8781 0.0000 172.4710 68 K 4.2134 7.3343 117.1843 55.4525 35.0155 173.5661 69 A 4.4383 8.5579 126.4061 51.5158 18.3434 176.9670 70 V 3.6267 7.1966 119.4797 65.0327 32.0628 176.9529 71 V 3.7296 7.1961 121.7961 63.6884 32.1771 176.1470 72 E 4.7018 8.1552 118.1404 56.9281 33.2462 176.2481 73 S 4.5289 7.3662 114.7409 57.0905 63.2080 171.0184 74 I 4.6182 7.7789 120.3218 58.4627 39.0170 173.7865 75 Q 4.7261 8.0909 126.3453 53.2419 32.6078 175.0518 76 R 3.7149 8.3780 121.8195 57.1317 30.7731 174.4826 77 V 3.9433 8.3925 119.1449 63.2134 32.7070 176.3322 78 S 4.2989 7.6191 119.1348 56.9178 61.7055 174.3497 79 R 3.9589 7.6404 116.8356 55.4363 29.7357 174.5966 80 P 4.2730 0.0000 0.0000 63.5085 31.8369 176.7172 81 G 4.0269 8.7276 105.5854 46.1093 0.0000 174.3601 82 L 4.3729 7.3692 118.5636 52.5051 42.9068 175.4022 83 R 3.8740 8.1126 116.0596 56.7424 31.0767 176.5244 84 I 4.4722 8.3006 120.6497 59.7959 41.1224 173.9043 85 Y 5.0023 8.6440 123.9641 56.1900 40.5805 175.1455 86 K 4.7397 8.6470 122.9106 54.5659 36.1026 176.1896 87 R 4.3933 8.3286 120.7105 54.8378 31.2752 178.0753 88 K 4.2319 8.5663 118.5630 59.6083 32.4732 177.4856 89 D 4.6154 7.9891 116.4776 53.5036 40.1232 176.4562 90 E 4.1310 8.8456 121.0730 59.1787 30.2693 176.6902 91 L 3.6370 6.9619 121.7287 52.9518 39.2317 174.9296 92 P 4.4009 0.0000 0.0000 62.1778 32.1934 175.9657 93 K 4.3034 7.9663 117.4033 54.0373 33.1297 176.5571 94 V 3.2705 8.1425 124.2519 64.6082 32.4895 175.6021 95 M 3.0919 9.3870 125.2991 57.5176 30.4339 176.4149 96 A 3.6094 9.1159 113.7357 53.3748 17.0442 177.4131 97 G 4.1420 8.3598 111.5342 47.9415 0.0000 176.4272 98 L 4.0103 7.9118 119.4558 57.2888 41.7117 178.2141 99 G 4.0683 7.8051 105.6674 44.7467 0.0000 172.1854 100 I 4.6989 8.6391 112.9831 58.7678 40.5857 175.0381 101 A 4.9500 9.2987 126.1627 50.2015 21.4671 175.7673 102 V 4.1502 8.5186 123.6372 63.0050 32.3550 175.1759 103 V 4.8919 8.3809 127.7907 61.0973 35.0090 174.0768 104 S 4.8419 9.4964 123.6926 57.9669 63.7768 173.0535 105 T 4.9094 8.3003 116.3517 59.3030 72.2436 174.5024 106 S 4.3707 8.5848 112.5843 58.9207 61.9049 173.9523 107 K 4.5478 8.7214 115.5849 55.7672 33.8177 175.7720 108 G 4.1363 7.8718 106.9485 43.9643 0.0000 174.7174 109 V 4.1155 8.1116 120.8586 62.8752 29.9198 175.6656 110 M 4.5500 8.2431 126.2859 53.9813 34.6691 175.4601 111 T 4.9288 8.0180 109.0870 60.3850 72.7725 174.0288 112 D 4.3411 8.4544 121.7545 57.3298 38.9595 178.9838 113 R 3.8986 8.0731 119.8689 58.7090 30.1232 178.1089 114 A 3.9374 7.8901 119.6899 55.0768 18.2555 179.3473 115 A 3.9371 8.6572 118.9752 55.2788 18.4639 179.3208 116 R 3.8889 8.4929 117.3675 60.2659 29.8647 178.6558 117 Q 4.0265 7.8139 116.2749 58.8020 28.8211 178.5349 118 A 4.1994 7.6443 120.2707 52.9204 18.3406 178.0463 119 G 3.8724 8.5921 105.7814 45.6604 0.0000 173.1736 120 L 4.8302 7.6690 117.7527 53.7550 43.7979 175.4496 121 G 4.1130 7.7591 106.8559 44.2272 0.0000 171.5816 122 G 4.7412 7.8215 104.9721 46.1690 0.0000 171.9706 123 E 4.9086 8.4617 120.8644 55.5012 30.6056 176.7762 124 I 4.3507 8.2185 127.4836 61.8656 38.3533 174.9137 125 I 4.6324 8.7457 121.7870 62.3628 40.7304 175.2547 126 C 4.9635 7.7485 114.1372 56.7601 33.1317 172.5085 127 Y 5.4731 7.7449 115.7937 57.3503 36.9300 177.2004 128 V 4.2451 8.0442 119.6844 62.7986 33.0910 176.4825 129 A 4.5220 8.4561 129.9690 52.3697 19.1525 176.0960 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 S 8.33 4.37 0.00 3.99 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 2 M 8.23 4.22 0.00 2.05 2.04 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 2.56 2.67 0.00 3 Q 8.09 3.99 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 4 D 7.72 4.79 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.23 2.27 0.00 3.76 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 2.05 1.97 0.00 6 I 8.06 3.64 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 1.54 0.84 0.86 0.00 0.00 7 A 8.05 3.90 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 8 D 7.65 4.41 0.00 2.69 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 9 M 8.22 4.00 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 10 L 7.88 3.91 0.00 1.66 1.65 0.84 0.55 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 11 T 8.62 3.79 4.21 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 1.23 0.00 0.00 12 R 8.33 3.91 0.00 2.04 2.04 0.00 3.16 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 13 I 7.91 3.75 2.07 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 1.55 1.10 0.83 0.00 0.00 14 R 7.72 3.85 0.00 1.85 2.01 0.00 3.05 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 15 N 8.21 4.50 0.00 2.76 2.92 0.00 0.00 6.98 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 16 G 7.88 3.58 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 0.00 0.00 0.00 17 Q 7.92 4.00 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 18 A 7.72 4.23 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 19 A 7.94 4.45 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 20 N 7.80 5.20 0.00 2.90 2.77 0.00 0.00 6.97 7.49 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 21 K 7.55 3.98 0.00 1.86 1.98 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.59 7.81 22 A 8.94 4.14 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 23 A 7.50 5.12 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 24 V 8.57 4.56 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 0.72 0.00 0.00 0.99 0.00 0.00 25 T 9.15 5.73 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 1.23 0.00 0.00 26 M 8.11 4.48 0.00 2.14 2.19 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 2.39 2.27 0.00 27 P 0.00 5.21 0.00 2.09 2.16 0.00 3.37 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 28 S 8.67 4.37 0.00 3.78 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 29 S 8.39 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 30 K 8.82 3.85 0.00 1.76 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.55 7.81 31 L 7.79 4.07 0.00 1.78 1.61 0.91 0.46 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 32 K 7.64 3.77 0.00 1.96 1.79 0.00 1.82 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 33 V 7.88 3.29 2.18 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 0.96 0.00 0.00 0.97 0.00 0.00 34 A 7.91 3.99 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 35 I 7.51 3.57 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.79 0.87 0.00 0.00 36 A 8.11 3.88 0.74 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 0.00 0.00 37 N 8.30 4.50 0.00 2.82 3.04 0.00 0.00 6.74 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 38 V 7.71 3.62 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 1.11 0.00 0.00 1.01 0.00 0.00 39 L 7.95 4.26 0.00 1.99 1.88 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.83 4.78 0.00 2.13 2.33 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.55 7.81 41 E 8.28 4.15 0.00 2.15 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 2.56 2.52 0.00 42 E 8.27 4.40 0.00 1.42 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 2.43 2.37 0.00 43 G 7.97 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 44 F 8.21 4.82 0.00 3.22 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 45 I 7.48 4.73 2.12 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.97 0.00 0.00 46 E 7.68 3.89 0.00 2.09 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 2.46 2.51 0.00 47 D 8.95 4.55 0.00 2.61 2.34 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 48 F 8.50 5.73 0.00 2.95 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 49 K 8.48 4.36 0.00 1.85 1.75 0.00 1.61 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.50 1.55 7.81 50 V 8.24 4.44 2.18 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 0.79 0.00 0.00 0.97 0.00 0.00 51 E 8.19 3.95 0.00 2.33 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 2.32 2.36 0.00 52 G 8.83 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 0.00 0.00 0.00 0.00 53 D 8.63 4.37 0.00 2.66 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 54 T 7.82 3.89 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 55 K 7.67 4.57 0.00 1.79 1.69 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.33 7.81 56 P 0.00 4.86 0.00 2.22 2.19 0.00 3.66 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 2.07 2.02 0.00 57 E 9.24 4.90 0.00 2.03 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 2.23 2.26 0.00 58 L 9.37 4.64 0.00 1.76 1.55 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.06 4.58 0.00 2.19 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 2.33 2.29 0.00 60 L 7.87 4.56 0.00 1.85 1.63 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.96 4.52 4.32 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 1.26 0.00 0.00 62 L 8.16 4.24 0.00 2.03 1.94 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.67 4.84 0.00 1.90 1.92 0.00 1.88 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.81 7.81 64 Y 8.82 5.26 0.00 3.08 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 65 F 8.48 5.45 0.00 2.85 2.40 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 66 Q 7.71 4.40 0.00 1.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.54 0.00 0.00 0.00 0.00 0.00 1.88 1.16 0.00 67 G 8.54 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 68 K 7.33 4.21 0.00 1.85 1.69 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.41 7.81 69 A 8.56 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.20 3.63 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 1.03 0.00 0.00 71 V 7.20 3.73 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 0.50 0.00 0.00 0.82 0.00 0.00 72 E 8.16 4.70 0.00 2.04 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 2.12 2.19 0.00 73 S 7.37 4.53 0.00 3.86 3.69 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 74 I 7.78 4.62 1.62 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.78 0.00 0.00 75 Q 8.09 4.73 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 76 R 8.38 3.71 0.00 1.71 1.74 0.00 3.30 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 77 V 8.39 3.94 1.80 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 0.51 0.00 0.00 -0.23 0.00 0.00 78 S 7.62 4.30 0.00 3.68 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 79 R 7.64 3.96 0.00 1.90 1.89 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 80 P 0.00 4.27 0.00 2.22 2.20 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 81 G 8.73 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 0.00 0.00 0.00 82 L 7.37 4.37 0.00 1.54 1.67 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.11 3.87 0.00 1.89 1.46 0.00 3.51 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 84 I 8.30 4.47 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.09 0.87 0.00 0.00 85 Y 8.64 5.00 0.00 2.80 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 86 K 8.65 4.74 0.00 1.66 1.72 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.56 7.81 87 R 8.33 4.39 0.00 2.04 1.86 0.00 3.15 0.00 0.00 3.58 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 88 K 8.57 4.23 0.00 1.87 1.87 0.00 1.56 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 89 D 7.99 4.62 0.00 2.78 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 90 E 8.85 4.13 0.00 1.92 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 0.00 2.28 2.33 0.00 91 L 6.96 3.64 0.00 1.71 1.63 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.40 0.00 1.94 2.00 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 93 K 7.97 4.30 0.00 1.66 1.72 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.34 7.81 94 V 8.14 3.27 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 1.10 0.00 0.00 0.81 0.00 0.00 95 M 9.39 3.09 0.00 2.33 2.01 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 2.59 2.51 0.00 96 A 9.12 3.61 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 97 G 8.36 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 98 L 7.91 4.01 0.00 1.69 1.75 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.81 4.07 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 0.00 0.00 0.00 100 I 8.64 4.70 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.25 0.89 0.00 0.00 101 A 9.30 4.95 1.25 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 0.00 0.00 102 V 8.52 4.15 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 0.91 0.00 0.00 1.00 0.00 0.00 103 V 8.38 4.89 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 1.00 0.00 0.00 0.98 0.00 0.00 104 S 9.50 4.84 0.00 3.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.91 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 1.31 0.00 0.00 106 S 8.58 4.37 0.00 3.86 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 0.00 107 K 8.72 4.55 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.50 7.81 108 G 7.87 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 0.00 109 V 8.11 4.12 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 0.84 0.00 0.00 0.94 0.00 0.00 110 M 8.24 4.55 0.00 2.17 2.02 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 2.80 2.47 0.00 111 T 8.02 4.93 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 1.23 0.00 0.00 112 D 8.45 4.34 0.00 2.90 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 0.00 113 R 8.07 3.90 0.00 1.88 1.97 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 114 A 7.89 3.94 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 0.00 115 A 8.66 3.94 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 0.00 116 R 8.49 3.89 0.00 2.05 1.95 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 117 Q 7.81 4.03 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 118 A 7.64 4.20 1.41 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 0.00 0.00 0.00 119 G 8.59 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 0.00 120 L 7.67 4.83 0.00 1.59 1.59 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.76 4.11 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 0.00 0.00 0.00 122 G 7.82 4.74 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 0.00 0.00 0.00 123 E 8.46 4.91 0.00 2.24 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 2.23 1.93 0.00 124 I 8.22 4.35 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 1.07 0.00 0.00 125 I 8.75 4.63 2.01 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 1.26 0.79 0.86 0.00 0.00 126 C 7.75 4.96 0.00 2.92 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 0.00 127 Y 7.74 5.47 0.00 2.80 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 0.00 128 V 8.04 4.25 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 -0.02 0.00 0.00 0.77 0.00 0.00 129 A 8.46 4.52 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