NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5506 8.3001 120.6139 54.5769 33.9039 175.7101 2 A 4.4590 5.8000 115.0239 51.2287 24.1318 175.5170 3 A 4.7745 8.2946 119.2047 50.7829 22.7193 175.5380 4 K 4.5265 8.5753 117.6317 56.7711 33.0993 175.5099 5 F 4.8825 8.2257 116.4751 56.6285 43.3239 173.5070 6 E 4.7985 8.4074 117.8949 54.2247 32.6821 174.9171 7 V 3.8069 8.3962 117.4614 63.4549 31.9833 176.8722 8 G 4.0112 9.0303 112.8175 45.4112 0.0000 173.8310 9 S 4.4866 7.7462 115.3884 58.6454 64.4824 173.4388 10 V 4.9107 7.7804 120.0339 61.8503 34.2638 173.7255 11 Y 4.9874 9.0981 123.9294 57.2469 43.2380 173.5972 12 T 5.1196 8.7183 116.2271 62.4943 71.7520 174.1831 13 G 4.2327 8.9273 110.7266 45.6747 0.0000 171.2954 14 K 5.2039 8.7363 118.2177 54.2015 36.0502 176.4345 15 V 4.2344 8.9652 125.6744 63.4256 31.9723 176.2312 16 T 4.4676 8.6799 118.0503 61.7462 70.3499 174.0492 17 G 4.2235 7.4997 107.8843 45.9912 0.0000 172.1503 18 L 5.1049 8.4539 118.9098 53.0479 45.6658 176.3062 19 Q 4.2949 8.5431 119.2381 54.0442 32.7994 175.9082 20 A 4.1590 8.4750 122.2138 54.1748 18.5836 177.5714 21 Y 4.6820 7.8657 112.4822 55.5991 40.3676 175.6502 22 G 4.1705 5.9698 105.9604 46.6033 0.0000 170.7002 23 A 4.9563 7.8143 121.1623 49.8115 21.8375 176.0821 24 F 5.1215 8.6556 121.7930 57.3949 40.6775 175.0057 25 V 4.8686 8.8419 121.8483 61.0344 34.9534 174.0852 26 A 4.3920 9.0508 130.6165 51.9355 18.8122 177.8980 27 L 4.1971 8.6068 123.0044 56.3297 43.0973 176.1533 28 D 4.6430 7.4846 115.1927 52.9342 43.9321 175.4201 29 E 4.0528 8.8529 121.6149 58.7892 29.4312 178.0769 30 E 4.7069 8.4901 115.6186 55.9436 30.6694 175.6001 31 T 4.6936 7.9662 116.1273 62.3027 73.4202 172.7385 32 Q 4.7657 8.3989 126.7691 54.9562 33.2554 173.5642 33 G 4.4181 9.2975 112.6781 44.7631 0.0000 170.6222 34 L 5.2085 8.9007 120.9182 52.8175 44.8021 175.8861 35 V 4.3993 8.4556 127.8940 62.7307 32.4417 175.1170 36 H 4.5899 8.9510 125.6685 55.4480 29.6673 176.5569 37 I 3.5944 8.6820 122.4343 64.3851 37.9196 177.9443 38 S 4.3817 8.0799 113.6512 60.0942 62.8083 174.1030 39 E 4.6244 8.4292 119.2313 55.7337 30.9526 178.0267 40 V 3.6237 7.7375 119.7433 65.8162 31.0107 175.9958 41 T 4.6261 7.2611 113.5758 62.2198 72.3527 174.2082 42 H 4.3473 8.9029 120.5750 58.4896 28.8593 175.5227 43 G 3.8819 7.6768 106.3133 45.8366 0.0000 171.7961 44 F 3.8139 8.9237 118.2917 59.1860 38.1699 176.1600 45 V 3.6924 7.4898 115.9368 61.2353 30.3415 175.4019 46 K 3.7449 7.2392 121.4062 59.7663 32.9582 177.4400 47 D 4.6106 7.4783 116.7462 52.3514 44.3688 175.5754 48 I 3.7130 8.3951 126.0240 63.8540 38.2844 177.5538 49 N 4.6745 8.3337 116.4955 54.7368 37.1524 175.6469 50 E 4.2038 7.7099 117.1564 57.7106 29.7157 176.8101 51 H 4.8422 8.1950 113.5196 55.2744 31.1829 172.9025 52 L 4.8175 7.5044 117.3050 53.3562 45.8042 174.8435 53 S 4.6857 8.2236 115.0619 56.5539 66.4191 175.0039 54 V 3.6965 8.4001 124.8538 62.7802 31.7094 175.6188 55 G 3.8740 8.7443 108.8749 47.0042 0.0000 172.8122 56 D 5.0195 7.7679 117.0156 51.8713 45.3478 173.5135 57 E 5.0065 8.6629 123.0194 55.3909 30.9686 175.6065 58 V 4.6118 8.9001 118.6563 59.8936 36.7149 173.5284 59 Q 5.0010 8.6888 124.5951 54.7519 30.5553 175.0138 60 V 4.7567 9.0198 119.3779 59.4380 35.9578 174.2816 61 K 4.9028 8.6029 125.1067 54.8408 34.1089 175.7081 62 V 3.9500 8.8822 128.3008 63.5777 31.7958 176.1325 63 L 4.3550 8.9491 128.7622 56.8043 42.7669 177.0632 64 A 4.7037 7.6234 117.6243 50.7511 22.5768 175.3324 65 V 4.5344 8.3673 119.1130 61.1169 34.8906 175.1893 66 D 4.8035 8.8631 125.4646 51.7336 40.1333 175.2924 67 E 4.1973 8.5723 123.5837 58.5693 30.3251 178.6562 68 E 4.0680 8.3349 117.3146 58.7839 29.5085 177.5540 69 K 4.4507 7.8722 113.7686 54.8055 32.8878 176.3975 70 G 4.0376 7.9620 106.7622 46.2962 0.0000 173.7749 71 K 4.9138 7.5612 118.0828 54.9358 34.3351 175.8576 72 I 4.9633 7.8576 120.8455 60.0086 41.7151 174.6264 73 S 4.9655 9.0106 122.9764 58.1519 64.2149 173.3734 74 L 5.3965 8.8457 122.8115 53.0646 46.2547 175.2085 75 S 4.8259 8.8806 113.8176 56.9840 65.7707 174.4745 76 I 4.5488 8.4936 122.4347 60.5683 39.8229 178.1230 77 R 3.7862 8.4692 117.9035 59.0926 28.6860 178.7401 78 A 3.9843 7.6633 120.4823 55.2987 18.6130 179.3327 79 T 4.1076 7.8017 107.5585 64.7800 69.0851 176.9559 80 Q 3.9908 8.3497 120.2272 58.5934 28.7424 178.2700 81 A 4.1534 7.7625 120.8175 53.7468 18.8169 178.0539 82 A 4.1016 7.0506 119.4696 51.2391 18.9921 175.4932 83 P 4.5853 0.0000 0.0000 62.5360 32.3488 174.4930 84 E 4.6174 8.0478 115.4329 54.2564 32.4320 174.5036 85 K 3.8754 8.5002 120.2179 56.9257 32.7624 177.6857 86 K 4.3713 8.4018 129.6118 55.2835 30.8406 175.5678 87 E 4.7448 7.3549 118.5337 53.8777 33.5663 174.8629 88 S 4.3271 8.5258 119.5302 58.9889 63.6453 174.2228 89 K 4.7346 8.1328 120.8641 53.9602 36.0688 175.5048 90 P 4.2747 0.0000 0.0000 65.3153 31.3856 177.5526 91 R 4.5503 7.7759 114.0982 55.6444 31.4536 177.7452 92 K 3.9044 7.9909 117.9562 59.0049 32.1046 176.5573 93 P 4.2119 0.0000 0.0000 63.3697 31.9393 175.6488 94 K 3.7254 8.2415 119.4951 57.0390 30.7686 175.9090 95 A 3.9958 7.9389 120.3053 54.7772 18.8932 179.1784 96 A 4.1295 7.9495 117.6178 54.4753 18.7009 178.0577 97 Q 4.1978 7.9249 114.8973 56.6821 29.1470 176.9392 98 V 4.5028 8.1745 110.9130 60.9604 33.7644 175.3541 99 S 4.6947 7.6525 114.5049 56.3760 67.0513 173.3196 100 E 4.1267 8.5739 122.4997 56.6411 29.8398 177.2914 101 E 4.2953 8.8921 122.0333 56.7965 29.4342 176.9944 102 A 2.9454 7.2521 122.6023 52.2530 18.6734 178.8873 103 S 4.1909 8.1553 118.8311 60.6972 63.2005 174.5096 104 T 4.7217 7.1208 108.4716 59.2435 71.5094 171.9443 105 P 4.4361 0.0000 0.0000 65.3784 31.8537 177.4810 106 Q 4.1238 8.1705 116.1630 56.6585 28.9915 175.3697 107 G 4.0165 7.3281 105.7645 45.0627 0.0000 172.8207 108 F 4.1340 8.2355 120.9345 60.7456 39.5145 174.6382 109 N 5.0359 7.9070 118.1394 52.9991 41.2135 173.8501 110 T 4.7482 8.3795 122.4514 62.8260 70.4781 174.0061 111 L 3.9666 7.5338 120.6697 56.3761 40.5163 176.3078 112 K 4.3460 7.9085 119.1244 56.9951 35.0108 173.7747 113 D 4.6182 8.2321 114.4200 55.8262 44.3541 177.3330 114 K 4.1223 8.1828 116.5742 58.6811 32.3083 176.5271 115 L 4.8414 7.4550 120.0918 54.5330 42.8668 176.9585 116 E 4.3451 7.9378 117.2653 55.1066 27.6914 174.1911 117 E 4.4330 7.2637 120.2902 54.8958 33.4992 174.7248 118 W 3.7802 8.4428 124.6089 56.2569 28.8112 173.8573 119 I 4.6951 8.3478 113.8176 61.9063 41.3907 175.0557 120 E 4.8071 8.3067 116.1652 55.8143 31.0735 174.5625 121 M 4.8110 7.8715 116.7977 54.1921 36.0961 174.0927 122 S 4.5968 7.8228 114.7859 56.7364 67.2199 173.8016 123 N 4.3368 8.4413 120.3158 53.5221 39.2138 174.9449 124 R 4.1169 8.1523 122.6734 55.3888 31.0732 176.4583 125 K 3.9858 8.3740 120.1609 56.5686 32.7858 177.1347 126 D 4.2892 8.7565 123.3835 57.1211 41.2204 178.0539 127 L 3.9804 7.9607 119.5264 57.1806 42.2037 177.4060 128 I 3.7364 7.8547 118.3960 63.9460 38.0129 176.3452 129 K 4.1271 8.0682 121.1956 56.1475 32.5953 176.6272 130 K 4.2017 8.4878 123.9677 56.6244 32.6089 175.9200 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 4.55 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 A 5.80 4.46 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 3 A 8.29 4.77 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 4 K 8.58 4.53 0.00 1.71 1.82 0.00 1.46 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.40 7.81 5 F 8.23 4.88 0.00 2.87 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 6 E 8.41 4.80 0.00 2.00 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 0.00 2.25 2.32 0.00 7 V 8.40 3.81 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 0.75 0.00 0.00 0.96 0.00 0.00 8 G 9.03 4.01 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 0.00 0.00 0.00 9 S 7.75 4.49 0.00 4.20 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 10 V 7.78 4.91 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 0.80 0.00 0.00 0.93 0.00 0.00 11 Y 9.10 4.99 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 12 T 8.72 5.12 4.33 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 1.26 0.00 0.00 13 G 8.93 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 0.00 0.00 0.00 0.00 14 K 8.74 5.20 0.00 1.69 1.68 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.36 7.81 15 V 8.97 4.23 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 1.07 0.00 0.00 1.04 0.00 0.00 16 T 8.68 4.47 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 17 G 7.50 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 0.00 0.00 0.00 0.00 18 L 8.45 5.10 0.00 1.41 1.42 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.54 4.29 0.00 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 5.15 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 20 A 8.47 4.16 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 21 Y 7.87 4.68 0.00 2.97 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 22 G 5.97 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 0.00 0.00 0.00 23 A 7.81 4.96 1.12 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 0.00 0.00 24 F 8.66 5.12 0.00 3.10 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 25 V 8.84 4.87 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 1.02 0.00 0.00 1.00 0.00 0.00 26 A 9.05 4.39 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 27 L 8.61 4.20 0.00 1.55 1.59 0.36 1.01 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 28 D 7.48 4.64 0.00 2.83 2.54 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 0.00 29 E 8.85 4.05 0.00 2.00 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 2.33 2.30 0.00 30 E 8.49 4.71 0.00 2.03 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 2.22 2.24 0.00 31 T 7.97 4.69 4.16 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 0.70 0.00 0.00 32 Q 8.40 4.77 0.00 2.14 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 33 G 9.30 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 0.00 0.00 0.00 0.00 34 L 8.90 5.21 0.00 1.91 1.62 0.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.46 4.40 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 1.29 0.00 0.00 0.93 0.00 0.00 36 H 8.95 4.59 0.00 3.16 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.68 3.59 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.27 0.95 0.00 0.00 38 S 8.08 4.38 0.00 3.91 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 39 E 8.43 4.62 0.00 2.08 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 2.20 2.31 0.00 40 V 7.74 3.62 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 0.68 0.00 0.00 0.95 0.00 0.00 41 T 7.26 4.63 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 1.26 0.00 0.00 42 H 8.90 4.35 0.00 3.17 3.39 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.68 3.88 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 0.00 0.00 0.00 44 F 8.92 3.81 0.00 3.03 3.12 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 45 V 7.49 3.69 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 0.65 0.00 0.00 0.89 0.00 0.00 46 K 7.24 3.74 0.00 1.56 1.03 0.00 1.47 0.00 0.00 1.23 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.03 1.25 7.81 47 D 7.48 4.61 0.00 2.58 2.42 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 48 I 8.40 3.71 1.78 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 1.40 1.12 0.87 0.00 0.00 49 N 8.33 4.67 0.00 2.81 2.98 0.00 0.00 7.37 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 50 E 7.71 4.20 0.00 1.90 1.86 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 2.28 2.35 0.00 51 H 8.19 4.84 0.00 3.15 3.26 0.00 5.82 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.50 4.82 0.00 1.62 1.48 0.89 1.09 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 53 S 8.22 4.69 0.00 3.78 3.70 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 V 8.40 3.70 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 0.65 0.00 0.00 0.94 0.00 0.00 55 G 8.74 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 56 D 7.77 5.02 0.00 2.77 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 57 E 8.66 5.01 0.00 2.03 1.83 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 2.26 2.49 0.00 58 V 8.90 4.61 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 0.95 0.00 0.00 59 Q 8.69 5.00 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 60 V 9.02 4.76 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 0.63 0.00 0.00 1.03 0.00 0.00 61 K 8.60 4.90 0.00 1.87 1.68 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.55 7.81 62 V 8.88 3.95 2.31 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 1.01 0.00 0.00 1.22 0.00 0.00 63 L 8.95 4.35 0.00 1.66 1.68 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.62 4.70 1.20 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 0.00 0.00 0.00 65 V 8.37 4.53 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 1.04 0.00 0.00 66 D 8.86 4.80 0.00 2.79 2.58 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 67 E 8.57 4.20 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 2.39 2.25 0.00 68 E 8.33 4.07 0.00 2.11 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 2.33 2.30 0.00 69 K 7.87 4.45 0.00 1.81 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.34 7.81 70 G 7.96 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.56 4.91 0.00 1.71 1.76 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.28 7.81 72 I 7.86 4.96 1.73 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.89 0.00 0.00 73 S 9.01 4.97 0.00 3.76 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 74 L 8.85 5.40 0.00 1.66 1.52 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.88 4.83 0.00 3.89 3.64 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 0.00 0.00 0.00 76 I 8.49 4.55 1.85 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 1.10 1.83 0.94 0.00 0.00 77 R 8.47 3.79 0.00 1.61 2.06 0.00 2.75 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 78 A 7.66 3.98 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 79 T 7.80 4.11 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 1.24 0.00 0.00 80 Q 8.35 3.99 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.07 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 81 A 7.76 4.15 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 82 A 7.05 4.10 1.30 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 0.00 0.00 0.00 83 P 0.00 4.59 0.00 2.19 2.10 0.00 3.76 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 1.98 1.95 0.00 84 E 8.05 4.62 0.00 2.04 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 2.18 2.30 0.00 85 K 8.50 3.88 0.00 1.73 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 86 K 8.40 4.37 0.00 1.79 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.58 7.81 87 E 7.35 4.74 0.00 1.84 1.75 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 2.18 2.37 0.00 88 S 8.53 4.33 0.00 3.89 3.80 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 89 K 8.13 4.73 0.00 1.75 1.63 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.61 7.81 90 P 0.00 4.27 0.00 2.04 2.15 0.00 3.64 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 2.04 2.14 0.00 91 R 7.78 4.55 0.00 1.82 1.93 0.00 3.31 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 92 K 7.99 3.90 0.00 1.89 1.90 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.44 7.81 93 P 0.00 4.21 0.00 2.04 2.13 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 94 K 8.24 3.73 0.00 1.95 1.77 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.42 7.81 95 A 7.94 4.00 1.30 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 0.00 0.00 0.00 96 A 7.95 4.13 1.30 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 0.00 0.00 0.00 97 Q 7.92 4.20 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 98 V 8.17 4.50 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 0.77 0.00 0.00 0.93 0.00 0.00 99 S 7.65 4.69 0.00 3.79 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 0.00 100 E 8.57 4.13 0.00 2.06 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 2.61 2.53 0.00 101 E 8.89 4.30 0.00 2.21 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 2.39 2.49 0.00 102 A 7.25 2.95 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 0.00 103 S 8.16 4.19 0.00 3.73 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 0.00 104 T 7.12 4.72 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 1.16 0.00 0.00 105 P 0.00 4.44 0.00 2.39 2.22 0.00 3.76 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 1.99 0.00 106 Q 8.17 4.12 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.52 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 107 G 7.33 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 0.00 0.00 0.00 108 F 8.24 4.13 0.00 3.14 3.12 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 0.00 109 N 7.91 5.04 0.00 2.64 2.72 0.00 0.00 6.77 7.72 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 0.00 110 T 8.38 4.75 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 1.24 0.00 0.00 111 L 7.53 3.97 0.00 1.79 1.70 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.91 4.35 0.00 1.84 1.81 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.35 1.36 7.81 113 D 8.23 4.62 0.00 2.71 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 0.00 114 K 8.18 4.12 0.00 1.80 1.88 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.44 7.81 115 L 7.46 4.84 0.00 1.57 1.62 1.09 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 0.00 116 E 7.94 4.35 0.00 1.98 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 2.32 2.28 0.00 117 E 7.26 4.43 0.00 1.77 1.69 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 1.73 1.47 0.00 118 W 8.44 3.78 0.00 3.53 3.21 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 0.00 119 I 8.35 4.70 1.93 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 1.45 0.79 0.99 0.00 0.00 120 E 8.31 4.81 0.00 1.98 1.88 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 2.23 2.34 0.00 121 M 7.87 4.81 0.00 1.41 1.52 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 2.43 2.39 0.00 122 S 7.82 4.60 0.00 3.75 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 0.00 123 N 8.44 4.34 0.00 2.68 2.72 0.00 0.00 7.05 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 0.00 124 R 8.15 4.12 0.00 1.81 1.83 0.00 3.40 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 125 K 8.37 3.99 0.00 1.77 1.68 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.44 7.81 126 D 8.76 4.29 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 127 L 7.96 3.98 0.00 1.62 1.69 0.92 0.98 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 0.00 128 I 7.85 3.74 1.93 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 1.16 0.79 0.95 0.00 0.00 129 K 8.07 4.13 0.00 1.75 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.41 7.81 130 K 8.49 4.20 0.00 1.73 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.32 7.81