NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5161 8.3049 120.3284 55.3347 33.3993 174.5463 2 S 4.5239 8.2563 118.1535 55.9158 67.0133 172.2101 3 A 4.2997 8.2143 125.6424 50.7377 19.9722 175.6526 4 P 4.4563 0.0000 0.0000 62.4908 31.9492 176.0907 5 N 4.3989 8.8930 121.5669 52.8116 39.3922 173.9908 6 P 4.2322 0.0000 0.0000 65.4373 31.3316 177.1402 7 K 4.3753 8.3468 116.3314 56.9449 32.8070 177.2986 8 A 2.5800 7.5868 125.2062 50.0734 16.9286 176.7798 9 F 5.1975 6.5008 115.9241 53.2397 41.6673 174.2113 10 P 4.7885 0.0000 0.0000 62.9357 32.9178 174.4364 11 L 5.2492 8.4239 123.4358 53.2795 43.4100 175.7783 12 A 4.3095 8.9707 129.9057 51.8055 19.2020 177.7778 13 D 4.6045 8.6663 122.1516 52.4332 42.1021 177.0431 14 A 3.9671 8.5729 119.9160 55.4629 18.1908 179.5050 15 A 3.8820 7.9673 118.4474 55.4234 18.6279 179.5318 16 L 3.9336 8.6184 119.1511 58.3871 42.0567 179.2870 17 T 3.8924 8.3054 116.3015 66.7971 68.4389 176.6401 18 Q 4.0549 8.1099 119.9698 58.7799 28.7045 178.5224 19 Q 3.9616 8.1944 120.6141 59.2120 29.0793 178.4056 20 I 3.7187 8.1948 121.0485 64.5940 37.2490 178.4229 21 L 4.0664 8.3661 120.1323 57.8829 41.3799 179.2414 22 D 4.3426 8.2578 118.0733 57.2820 41.1545 178.5040 23 V 3.6582 7.8858 118.8969 65.8336 31.4506 178.1326 24 V 3.6037 8.3021 118.5844 65.9990 31.3419 177.7811 25 Q 4.7150 8.1083 120.5264 59.0216 28.9533 178.3530 26 Q 4.0096 8.1577 118.8501 58.8444 28.7149 178.5726 27 A 3.9901 8.5611 122.1713 54.8935 18.5017 179.5453 28 A 3.9080 8.2248 119.6924 55.5478 18.2871 179.7245 29 N 4.3746 8.0100 113.6775 55.7813 38.6747 176.6949 30 L 4.3135 7.6085 117.6849 53.4799 42.9937 176.4236 31 R 3.8358 7.6480 116.8175 58.0035 28.0197 175.7016 32 Q 4.7229 8.6389 113.1298 55.2758 30.1927 174.9345 33 L 5.1896 7.9207 117.3885 53.1634 45.7244 174.7676 34 K 4.6883 9.0401 124.4149 54.5141 35.2658 175.1355 35 K 4.7288 8.7725 123.2994 55.7848 34.7084 176.7014 36 G 3.9732 9.2167 110.8855 45.1733 0.0000 174.6368 37 A 3.9406 8.7183 122.8039 54.9650 18.4335 179.8846 38 N 4.2291 8.0562 114.9537 57.0050 39.3096 176.7786 39 E 3.9515 8.1751 119.2644 59.2209 29.6545 179.0640 40 A 3.9418 8.1399 120.8437 55.4672 18.4035 179.6288 41 T 3.8154 8.0119 114.2702 66.9733 68.5805 176.9441 42 K 3.9815 8.0918 120.4513 59.5586 31.9736 179.5515 43 T 3.9058 7.8669 109.9228 64.6496 68.6466 176.7614 44 L 3.9485 7.8422 121.5814 57.7419 41.4747 179.1519 45 N 4.3643 8.1692 115.3282 56.0913 38.5682 176.8915 46 R 4.3065 8.0273 116.9541 55.7111 30.4791 177.0974 47 G 3.9166 7.7147 106.8940 46.4457 0.0000 173.9607 48 I 4.4200 7.9363 111.2312 60.2756 38.9454 174.1429 49 S 4.8970 7.8982 117.4523 57.5426 62.8500 173.7450 50 E 4.4156 9.3976 128.2935 59.2994 30.0882 177.0507 51 F 5.0728 7.4261 111.1033 56.1762 41.1786 172.8467 52 I 4.9017 8.7381 121.1421 59.7107 39.8145 174.6359 53 I 5.0344 8.6890 127.3385 59.8499 40.0354 174.6508 54 M 5.2212 8.6309 124.7108 53.3481 36.5642 174.1298 55 A 4.9854 8.8511 123.6491 51.1563 19.9175 178.4889 56 A 4.2004 9.8794 125.6798 53.6525 19.5660 178.2361 57 D 5.0613 7.3058 111.0170 53.1544 40.3235 176.6419 58 C 4.1564 7.8480 119.9700 60.0605 31.9351 172.6014 59 E 4.5909 8.5221 126.8132 53.5652 31.4408 173.2770 60 P 4.5508 0.0000 0.0000 62.1690 32.7510 177.2020 61 I 3.8846 8.2782 119.3395 64.1227 37.8678 177.9514 62 E 4.0413 8.3127 119.5708 59.2694 29.0535 178.8297 63 I 3.9207 7.3962 111.0950 62.7188 37.7497 176.3810 64 L 4.7186 7.7467 118.5520 54.7580 41.2344 177.9448 65 L 4.1230 7.8032 119.7661 57.5559 41.6242 178.2362 66 H 4.4111 8.1503 115.0493 57.8853 28.7204 177.3338 67 L 3.7102 7.4652 122.0471 57.3124 41.4493 177.5974 68 P 2.9700 0.0000 0.0000 64.9304 31.1302 178.6529 69 L 3.8546 7.4767 117.2449 57.6879 41.6638 179.1252 70 L 3.9046 7.9347 120.3454 58.4246 42.0288 178.7930 71 C 4.1564 8.2085 117.0317 62.8599 27.5036 175.9955 72 E 4.1294 8.1220 120.2371 59.5261 28.8054 179.1521 73 D 4.4254 8.0122 118.1509 56.5051 40.9914 177.8926 74 K 4.2916 7.8724 116.2338 54.9678 32.9056 175.7117 75 N 4.1437 7.6204 116.1432 54.8449 37.8040 173.7078 76 V 4.5052 8.0359 116.2849 60.1348 33.8785 173.7820 77 P 4.6583 0.0000 0.0000 62.9834 32.3692 174.8228 78 Y 5.4208 7.9536 120.3689 56.0661 41.3670 174.3381 79 V 4.5240 8.5812 112.5222 60.6334 37.0339 172.6941 80 F 5.3415 9.2082 121.1399 56.0627 41.6148 175.4090 81 V 4.8640 9.0077 116.0938 58.8738 33.6871 175.2534 82 P 4.3940 0.0000 0.0000 64.9539 32.7431 175.9802 83 S 5.1775 7.9777 115.2114 55.7332 64.7073 174.6070 84 R 4.1977 9.0428 126.8722 58.5697 29.2318 179.2818 85 V 3.5648 7.7511 118.6166 65.8181 31.6330 177.7149 86 A 4.0005 8.2169 120.7218 55.1307 18.2635 179.4132 87 L 4.0397 8.2894 119.1266 58.0292 42.0888 179.4942 88 G 3.9058 7.9539 106.8169 47.2309 0.0000 175.5503 89 R 4.0075 8.0876 121.1712 59.1376 30.1145 178.4793 90 A 4.0132 8.2364 120.6291 55.1789 18.1680 178.6373 91 C 4.4008 7.9442 112.7789 59.7808 28.4788 173.7533 92 G 3.8404 8.2283 108.8543 46.7064 0.0000 173.9272 93 V 4.4791 7.6366 117.3748 60.9246 34.5173 174.6515 94 S 4.6905 8.5976 120.8940 58.8309 63.1983 174.1219 95 R 4.7563 7.5122 117.9062 53.6168 33.9095 173.0425 96 P 4.7499 0.0000 0.0000 62.4795 32.0402 176.0624 97 V 4.5831 8.4446 121.6815 61.2613 33.9984 175.7963 98 I 4.5092 8.5119 119.2826 61.3481 39.6142 174.7973 99 A 5.1589 7.6771 123.5831 50.9301 22.5509 174.8960 100 A 5.0348 9.2417 122.3383 50.4713 23.5347 175.1572 101 S 4.7380 9.0187 114.7881 56.4473 65.8227 172.9951 102 I 4.3272 7.7595 128.6295 60.9018 37.7998 175.8870 103 T 4.8106 8.2424 117.9933 60.7468 70.4533 174.8687 104 T 4.1192 8.5206 120.1538 64.0618 69.4011 174.5985 105 N 4.3803 8.3770 118.6872 53.2766 39.8406 174.3561 106 D 4.4437 8.7900 124.1330 55.6106 41.1768 177.1081 107 A 4.5743 7.6281 120.5721 51.4247 19.9614 176.5546 108 S 4.1857 7.9019 112.8206 58.6756 62.8143 175.3674 109 A 4.1344 8.6190 129.5925 54.1693 18.6104 178.1089 110 I 4.4658 7.7257 109.4062 60.3396 38.1792 177.6155 111 K 3.7440 7.9413 124.5468 60.6046 31.7924 178.5228 112 T 3.7784 7.7113 109.3485 65.0356 68.7609 176.2987 113 Q 4.0384 8.0178 120.4200 58.5855 28.7074 178.6161 114 I 4.0222 8.0107 120.9968 64.7384 37.2060 178.0939 115 Y 4.1999 8.6330 117.7778 60.9315 37.6349 178.5084 116 A 4.0038 8.3385 121.9323 55.1161 18.4242 179.8699 117 V 3.3439 7.6700 116.5359 65.8512 31.5084 178.2114 118 K 3.6338 7.9895 118.3982 59.5981 31.9475 178.6545 119 D 4.4287 8.0796 118.0070 57.2356 41.1854 178.4818 120 K 3.8942 7.8945 118.8445 59.5015 32.1135 179.3433 121 I 3.5841 7.7743 120.2105 64.4579 37.0529 178.2430 122 E 3.9236 8.4413 119.7199 59.8491 29.0401 179.6592 123 T 3.8640 7.6634 114.6504 66.5339 68.6437 176.3956 124 L 4.1237 7.7154 120.6556 57.8273 41.4222 179.5916 125 L 3.9579 7.7141 117.8513 57.8066 41.5808 179.3356 126 I 3.8946 7.5197 118.9452 63.4348 38.3671 177.6877 127 L 4.2497 7.1866 121.3957 53.9570 38.5700 176.7093 128 E 3.5363 7.9609 120.9316 56.0835 28.7873 173.2346 129 H 3.7842 8.6147 110.3321 57.4079 27.4507 173.5205 130 H 5.5145 8.5380 119.4467 54.2489 32.0825 173.7916 131 H 4.6206 9.7511 119.3479 58.0612 29.0905 175.6160 132 H 4.3801 8.0349 119.9661 56.0215 28.4695 175.0321 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 4.52 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 S 8.26 4.52 0.00 3.89 3.71 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 3 A 8.21 4.30 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 4 P 0.00 4.46 0.00 2.18 2.10 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 5 N 8.89 4.40 0.00 2.81 2.65 0.00 0.00 6.64 8.48 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 6 P 0.00 4.23 0.00 2.22 2.17 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 7 K 8.35 4.38 0.00 1.81 1.87 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.55 7.81 8 A 7.59 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 6.50 5.20 0.00 3.06 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 10 P 0.00 4.79 0.00 2.24 2.41 0.00 3.74 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 2.05 1.80 0.00 11 L 8.42 5.25 0.00 1.73 1.65 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.97 4.31 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 13 D 8.67 4.60 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.57 3.97 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 15 A 7.97 3.88 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 16 L 8.62 3.93 0.00 1.78 1.73 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.31 3.89 4.47 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 1.24 0.00 0.00 18 Q 8.11 4.05 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 19 Q 8.19 3.96 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 20 I 8.19 3.72 2.09 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 1.46 0.56 1.03 0.00 0.00 21 L 8.37 4.07 0.00 1.67 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.26 4.34 0.00 2.87 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 23 V 7.89 3.66 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.05 0.00 0.00 24 V 8.30 3.60 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 1.08 0.00 0.00 1.04 0.00 0.00 25 Q 8.11 4.72 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 26 Q 8.16 4.01 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 27 A 8.56 3.99 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 28 A 8.22 3.91 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 29 N 8.01 4.37 0.00 2.86 2.89 0.00 0.00 7.08 7.97 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 30 L 7.61 4.31 0.00 1.77 1.68 0.92 0.95 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 31 R 7.65 3.84 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 32 Q 8.64 4.72 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 33 L 7.92 5.19 0.00 1.56 1.41 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.04 4.69 0.00 1.61 1.61 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.48 7.81 35 K 8.77 4.73 0.00 1.59 1.68 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 36 G 9.22 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.72 3.94 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 38 N 8.06 4.23 0.00 2.84 2.81 0.00 0.00 7.17 7.65 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 39 E 8.18 3.95 0.00 2.11 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 2.39 2.38 0.00 40 A 8.14 3.94 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 41 T 8.01 3.82 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 1.23 0.00 0.00 42 K 8.09 3.98 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.61 7.81 43 T 7.87 3.91 4.20 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 0.00 0.00 0.00 1.21 0.00 0.00 44 L 7.84 3.95 0.00 1.94 1.73 0.86 0.55 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 45 N 8.17 4.36 0.00 2.83 2.88 0.00 0.00 7.11 8.04 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 46 R 8.03 4.31 0.00 1.84 1.96 0.00 3.25 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 47 G 7.71 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 0.00 0.00 0.00 48 I 7.94 4.42 1.86 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 1.23 0.94 0.91 0.00 0.00 49 S 7.90 4.90 0.00 3.85 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 50 E 9.40 4.42 0.00 1.92 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 0.00 2.38 2.51 0.00 51 F 7.43 5.07 0.00 3.20 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 52 I 8.74 4.90 1.93 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 1.25 0.87 0.86 0.00 0.00 53 I 8.69 5.03 1.89 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 0.90 0.96 0.00 0.00 54 M 8.63 5.22 0.00 1.67 0.84 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 55 A 8.85 4.99 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 56 A 9.88 4.20 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 57 D 7.31 5.06 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 58 C 7.85 4.16 0.00 3.07 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 59 E 8.52 4.59 0.00 1.90 1.78 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 2.18 2.33 0.00 60 P 0.00 4.55 0.00 2.45 2.16 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 61 I 8.28 3.88 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.23 0.92 0.00 0.00 62 E 8.31 4.04 0.00 2.11 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 2.41 2.45 0.00 63 I 7.40 3.92 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.55 0.92 0.00 0.00 64 L 7.75 4.72 0.00 1.81 1.90 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.80 4.12 0.00 1.66 1.78 0.94 1.35 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 66 H 8.15 4.41 0.00 3.31 3.50 0.00 5.47 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.47 3.71 0.00 1.57 1.51 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 2.97 0.00 1.54 1.26 0.00 3.50 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 69 L 7.48 3.85 0.00 1.82 1.63 0.80 0.48 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 70 L 7.93 3.90 0.00 1.80 1.72 0.91 1.24 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 71 C 8.21 4.16 0.00 2.73 3.37 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 72 E 8.12 4.13 0.00 2.24 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 2.48 2.55 0.00 73 D 8.01 4.43 0.00 2.83 2.73 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 0.00 0.00 0.00 74 K 7.87 4.29 0.00 1.73 1.84 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.56 7.81 75 N 7.62 4.14 0.00 2.83 2.85 0.00 0.00 6.88 7.59 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 76 V 8.04 4.51 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 0.90 0.00 0.00 0.95 0.00 0.00 77 P 0.00 4.66 0.00 2.16 1.90 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 78 Y 7.95 5.42 0.00 2.82 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 79 V 8.58 4.52 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 0.61 0.00 0.00 0.97 0.00 0.00 80 F 9.21 5.34 0.00 3.20 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 81 V 9.01 4.86 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 0.85 0.00 0.00 1.03 0.00 0.00 82 P 0.00 4.39 0.00 2.14 2.35 0.00 3.68 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 2.11 2.00 0.00 83 S 7.98 5.18 0.00 3.85 3.74 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 84 R 9.04 4.20 0.00 2.24 2.27 0.00 3.12 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.51 0.00 85 V 7.75 3.56 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 1.05 0.00 0.00 0.94 0.00 0.00 86 A 8.22 4.00 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 87 L 8.29 4.04 0.00 1.80 1.70 0.94 0.93 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 88 G 7.95 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 0.00 0.00 0.00 89 R 8.09 4.01 0.00 1.92 2.11 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 90 A 8.24 4.01 1.47 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 0.00 0.00 91 C 7.94 4.40 0.00 3.16 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 92 G 8.23 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 93 V 7.64 4.48 2.08 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 0.93 0.00 0.00 0.93 0.00 0.00 94 S 8.60 4.69 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.51 4.76 0.00 1.81 1.76 0.00 3.12 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 96 P 0.00 4.75 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 97 V 8.44 4.58 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 1.02 0.00 0.00 0.93 0.00 0.00 98 I 8.51 4.51 1.90 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 1.29 1.00 0.94 0.00 0.00 99 A 7.68 5.16 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 0.00 100 A 9.24 5.03 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 101 S 9.02 4.74 0.00 3.76 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 0.00 102 I 7.76 4.33 0.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.36 0.74 0.00 0.00 103 T 8.24 4.81 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 1.16 0.00 0.00 104 T 8.52 4.12 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 1.28 0.00 0.00 105 N 8.38 4.38 0.00 2.68 2.63 0.00 0.00 7.22 8.49 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 0.00 106 D 8.79 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 0.00 107 A 7.63 4.57 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 0.00 108 S 7.90 4.19 0.00 4.00 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 0.00 109 A 8.62 4.13 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 0.00 110 I 7.73 4.47 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.96 0.00 0.00 111 K 7.94 3.74 0.00 1.80 1.66 0.00 1.20 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.63 0.86 7.81 112 T 7.71 3.78 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 1.14 0.00 0.00 113 Q 8.02 4.04 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 114 I 8.01 4.02 2.19 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.87 1.29 0.00 0.00 115 Y 8.63 4.20 0.00 3.17 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 0.00 116 A 8.34 4.00 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 0.00 117 V 7.67 3.34 1.85 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 0.15 0.00 0.00 0.89 0.00 0.00 118 K 7.99 3.63 0.00 1.94 1.90 0.00 2.03 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.71 7.81 119 D 8.08 4.43 0.00 2.79 2.75 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 0.00 120 K 7.89 3.89 0.00 1.91 1.77 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.73 7.81 121 I 7.77 3.58 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.77 0.00 0.00 122 E 8.44 3.92 0.00 2.06 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 2.28 2.47 0.00 123 T 7.66 3.86 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 124 L 7.72 4.12 0.00 1.91 1.69 0.91 0.50 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 0.00 125 L 7.71 3.96 0.00 1.74 1.73 0.77 0.28 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 0.00 126 I 7.52 3.89 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 1.83 0.72 0.90 0.00 0.00 127 L 7.19 4.25 0.00 1.72 1.63 0.92 0.89 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 0.00 128 E 7.96 3.54 0.00 2.12 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 2.15 2.25 0.00 129 H 8.61 3.78 0.00 3.00 3.07 0.00 5.47 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.54 5.51 0.00 3.22 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.75 4.62 0.00 3.10 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.03 4.38 0.00 3.24 3.29 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00