NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3823 8.3044 120.3494 54.8000 33.4278 174.8842 2 I 3.5906 8.3891 125.7154 61.4045 38.6545 173.2372 3 Q 4.8918 8.3775 124.9393 54.1508 33.5783 173.8699 4 S 5.1904 8.5772 115.7302 56.8922 66.4327 173.0420 5 Q 4.8389 8.8821 120.3865 54.5774 30.3407 175.7963 6 I 4.3888 8.4333 112.1888 60.1365 38.9073 174.7516 7 N 4.8725 7.8399 120.1133 51.0160 40.7739 174.7079 8 R 3.9953 8.6155 123.7885 59.3132 29.4034 178.3575 9 N 4.3724 8.7399 117.5565 55.8861 38.3965 177.3488 10 I 3.6661 7.4117 120.9413 64.6520 37.2026 178.7225 11 R 4.0239 7.8972 118.1263 58.9421 30.0852 178.9286 12 L 4.0295 8.1556 119.1590 57.5781 41.7406 179.0572 13 D 4.3727 8.5967 119.5086 57.1548 40.6509 178.4635 14 L 3.9317 7.9585 120.6419 58.0611 42.0293 178.7056 15 A 4.1200 8.2783 120.9789 55.5715 18.3017 179.3879 16 D 4.3241 8.0727 116.5313 57.3385 40.8426 178.9157 17 A 3.9969 7.9462 121.0292 55.1515 18.3536 179.6667 18 I 3.6516 8.0772 118.6606 64.6594 37.2191 178.6198 19 L 4.0217 8.3207 120.1227 57.6229 41.3482 179.4766 20 L 3.9184 8.0000 120.2745 58.1318 42.0547 178.8548 21 S 4.0460 8.1271 113.1167 61.3042 62.2725 175.9516 22 K 3.7867 8.3990 122.4113 59.4474 31.8857 178.6166 23 A 3.9151 8.0812 120.9130 55.1303 18.1212 179.6034 24 K 3.8738 8.1507 116.1977 59.4317 32.2689 178.8548 25 K 4.1928 8.0783 115.4326 55.4416 32.7817 175.9796 26 D 4.2912 7.6955 118.0432 55.0490 40.1539 173.1274 27 L 4.6686 7.7965 116.4176 53.6029 43.7086 177.2678 28 S 4.6498 8.6640 116.1219 56.7200 66.5446 175.4375 29 F 4.1891 8.3475 121.0901 60.5471 38.5307 177.6443 30 A 4.0700 8.1641 119.9915 55.4196 17.9873 179.4475 31 E 3.9327 8.0552 115.5472 59.5628 29.6167 179.2769 32 I 3.8372 7.6345 118.5333 64.4249 37.6267 178.1166 33 A 4.2335 8.2389 120.8661 53.0863 18.2160 177.0003 34 D 4.4523 7.1325 117.8168 55.9275 41.5044 176.6892 35 G 4.0115 9.0689 114.9771 45.5693 0.0000 173.8321 36 T 4.0517 7.6945 108.7578 61.7748 69.3624 175.9933 37 G 3.9381 8.2870 109.2048 45.8191 0.0000 173.0009 38 L 4.7669 7.5404 117.3559 51.6668 45.1306 177.0732 39 A 4.1805 8.3047 122.8723 51.9458 20.2801 178.4243 40 E 3.8861 8.9210 122.8712 59.5984 29.6913 179.4744 41 A 3.9161 7.9577 120.1709 54.9183 18.4847 179.3253 42 F 3.8967 8.1234 118.7130 61.3772 39.6969 177.4501 43 V 3.6038 8.1640 118.0820 66.2888 31.3317 177.9872 44 T 3.7847 8.1263 115.3791 66.5957 68.2748 176.2010 45 A 3.8148 7.8080 122.2820 55.0812 18.2375 179.4299 46 A 4.1890 7.4976 120.3031 54.8232 18.2401 179.6803 47 L 3.9669 7.6824 115.9430 57.8606 41.7538 178.9089 48 L 4.5032 7.5964 116.0858 54.4271 41.6279 177.5800 49 G 3.8828 8.1059 106.8063 45.8921 0.0000 174.5132 50 Q 4.4967 8.2754 116.3677 55.4887 29.7485 175.1485 51 Q 4.4148 7.4005 115.9412 54.4088 32.9318 172.6438 52 A 4.9454 8.2991 120.9567 50.5407 20.9660 176.4540 53 L 4.6803 8.5901 121.9589 52.8843 43.6352 175.0369 54 P 4.4203 0.0000 0.0000 62.5758 32.4260 177.1828 55 A 3.9770 8.9124 123.7896 55.7643 18.2479 179.9634 56 D 4.2842 8.1236 116.4130 57.5363 40.8799 178.8374 57 A 4.0045 8.0060 120.5262 54.9661 18.4484 179.1688 58 A 3.9548 8.2888 119.5745 55.6156 18.4587 180.1751 59 R 3.8802 8.2590 116.5663 59.0534 30.1327 178.9775 60 L 3.9338 8.0562 120.1512 58.4985 42.2416 179.6240 61 V 3.7957 8.1770 112.5991 64.1869 31.3952 178.7917 62 G 3.6589 8.3631 105.5629 47.6919 0.0000 175.6804 63 A 4.0085 8.1203 122.9686 54.9800 18.2468 179.7988 64 K 3.9399 7.8471 115.7783 58.8475 32.1763 178.4998 65 L 4.5012 7.5796 115.7188 53.2250 42.4817 175.8521 66 D 4.4051 7.6614 117.2797 55.2562 38.8642 173.9576 67 L 4.3772 8.0781 117.9820 53.9053 43.0323 177.6100 68 D 4.7113 8.2470 121.7223 52.7760 41.9058 177.3609 69 E 3.9753 8.5381 118.4815 59.5900 29.3139 179.2388 70 D 4.3574 8.0695 118.5140 57.3871 40.9049 178.9171 71 S 4.1059 8.7391 115.9687 61.7414 62.6722 176.6789 72 I 3.7154 7.6404 121.1249 64.3132 37.1143 177.9350 73 L 4.2509 8.1772 121.2038 58.2468 41.9616 179.0360 74 L 4.0329 8.2778 119.2601 57.8000 41.5050 179.4953 75 L 4.0919 8.0570 118.7105 57.4180 41.2858 178.9111 76 Q 4.5305 7.7161 117.7114 56.1474 29.2748 176.1188 77 M 4.5137 7.2194 120.0137 54.8222 33.1756 176.4089 78 I 4.0250 8.7479 124.4389 60.7127 38.0571 174.3327 79 P 4.6803 0.0000 0.0000 62.3563 32.7508 176.3332 80 L 4.3455 8.2926 123.1696 53.9701 41.4868 176.4742 81 R 4.1373 8.2386 124.9375 55.9257 30.8128 175.2158 82 G 3.0291 8.3257 107.5371 44.9529 0.0000 173.3969 83 C 4.3049 8.1632 122.2387 58.5800 30.6737 174.2463 84 I 4.1640 7.4039 121.8897 60.0902 37.8621 174.8475 85 D 4.4620 8.8591 125.4998 57.0962 41.5700 176.5872 86 D 4.6422 7.3125 115.1099 53.1347 41.5065 173.9782 87 R 4.2820 8.2151 126.9858 56.4827 29.2943 177.1276 88 I 4.0692 7.1663 116.1452 58.2893 39.1857 173.9100 89 P 4.4376 0.0000 0.0000 62.8981 31.8265 176.4198 90 T 4.2047 8.3069 111.1583 63.2528 69.9895 175.4991 91 D 4.4760 7.9683 122.3283 53.2130 42.6126 174.4618 92 P 4.3143 0.0000 0.0000 66.1930 31.2085 178.6280 93 T 3.9487 8.0162 112.5804 67.2240 68.6420 176.1162 94 M 4.4960 8.2096 120.5417 58.4890 31.9630 178.1280 95 Y 3.9974 8.8417 120.2548 60.7991 38.8960 178.3471 96 R 3.9625 8.0339 118.5467 59.3517 29.8360 179.0476 97 F 4.1077 7.7831 117.6936 60.5068 38.8145 177.0805 98 Y 3.9653 7.8369 118.8296 60.5667 38.5115 177.5587 99 E 3.6390 8.1035 120.6625 59.3216 29.7427 178.3247 100 M 4.0570 8.0470 118.8475 58.8316 32.0397 178.8777 101 L 4.0125 7.4490 118.5303 57.8539 41.5544 179.5878 102 Q 3.8020 7.5690 117.2009 58.4094 28.5881 178.5204 103 V 3.6842 7.7583 118.7476 64.9256 32.0776 176.7940 104 Y 4.7334 8.1863 113.9690 57.3782 38.4628 177.6621 105 G 3.6775 8.2163 109.5052 48.2849 0.0000 176.2518 106 T 4.0222 7.8299 111.9562 64.4355 68.8904 176.8617 107 T 3.8949 7.8861 118.2803 66.4124 68.5190 176.2943 108 L 3.9853 8.3770 121.3698 57.6810 41.6609 179.3554 109 K 3.7491 8.1186 119.0887 59.5861 32.1196 178.5320 110 A 4.0285 8.1724 120.9235 55.3398 18.3392 179.6613 111 L 4.0011 8.3707 117.8792 57.5866 41.6042 179.7965 112 V 3.8115 8.0979 118.6507 66.4707 31.3059 177.8501 113 H 4.8977 8.1800 117.2400 58.3534 28.3111 177.4523 114 E 3.9484 8.1474 120.0540 59.3886 29.6344 178.7373 115 K 3.9430 8.3764 117.2526 57.8416 32.1755 177.2588 116 F 4.0998 9.0917 115.0770 59.8257 41.1037 175.7119 117 G 4.1706 7.7828 104.3008 43.8608 0.0000 171.2325 118 D 4.7104 8.8224 120.2922 53.0567 42.1136 176.1248 119 G 4.1748 7.8273 114.4317 46.6427 0.0000 170.8230 120 I 4.8034 7.9544 115.1005 59.4118 41.8977 174.6827 121 I 4.6622 8.1196 123.7199 59.7999 37.9336 175.9213 122 S 4.2369 9.0690 123.2441 58.4859 62.7538 173.8478 123 A 3.8888 8.5370 127.3349 51.9944 19.5540 176.8707 124 I 4.2693 7.6233 115.1754 63.0748 39.1171 176.6412 125 N 4.7760 8.2565 124.0765 52.0893 37.7782 172.2867 126 F 5.3068 7.9823 122.4092 56.7761 42.7024 172.5916 127 K 4.6265 8.1574 123.9330 54.5735 36.6240 175.1107 128 L 5.5712 8.2374 120.9251 53.8098 43.7786 174.8144 129 D 4.7847 8.3638 117.9753 52.0999 43.1573 173.8211 130 V 4.7735 8.3412 119.5138 61.1674 33.8719 174.6981 131 K 4.7135 8.9730 126.8527 54.4153 35.7543 174.9321 132 K 4.9122 8.6402 125.2228 55.2964 33.6238 175.7371 133 V 4.5778 8.7408 126.4577 60.5997 35.0747 174.4178 134 A 4.3450 8.7117 129.2261 52.1551 19.3157 176.3366 135 D 4.5623 9.0283 122.8249 52.4032 41.8401 175.5755 136 P 4.5015 0.0000 0.0000 65.6748 31.2190 176.7775 137 E 4.2432 8.5310 116.7107 55.7727 29.7062 176.3843 138 G 4.0310 8.7346 108.5317 45.9062 0.0000 175.9357 139 G 3.8520 9.1665 108.8680 44.3442 0.0000 171.7461 140 E 5.1803 8.3783 117.5089 54.7702 33.8187 175.3895 141 R 4.8100 9.2969 119.8463 54.4209 34.4750 174.2065 142 A 4.9771 8.5842 123.3184 50.5860 20.9347 176.6667 143 V 4.1620 8.9280 123.8714 61.4999 33.1354 174.3986 144 I 4.8796 8.3425 129.3246 60.0274 38.9160 175.3511 145 T 4.5077 8.7439 124.7681 61.8866 70.4510 173.6081 146 L 4.6885 8.5486 126.8776 53.1730 43.5159 175.7624 147 D 4.7018 8.7490 124.6083 52.2897 43.0446 174.3303 148 G 4.6487 8.4619 111.7622 43.6271 0.0000 170.5718 149 K 4.2813 8.9123 124.6027 56.1064 33.6643 175.4076 150 Y 4.5798 8.8603 129.2084 57.6949 40.1781 174.2932 151 G 3.9386 9.0073 115.4401 43.7712 0.0000 170.8416 152 P 4.6792 0.0000 0.0000 61.7568 32.5767 176.7609 153 T 4.0624 8.9623 120.5971 63.5436 69.6429 173.9157 154 K 4.5682 8.5702 126.3170 53.7298 32.8584 174.5153 155 P 4.5815 0.0000 0.0000 62.9110 31.9907 176.4219 156 F 4.5167 7.8521 112.6541 57.3525 37.6034 174.1408 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 4.38 0.00 1.98 2.04 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 2.60 0.00 2 I 8.39 3.59 1.88 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 1.42 1.05 0.91 0.00 0.00 3 Q 8.38 4.89 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.26 0.00 4 S 8.58 5.19 0.00 3.81 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 5 Q 8.88 4.84 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 6 I 8.43 4.39 1.87 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 0.66 0.91 0.00 0.00 7 N 7.84 4.87 0.00 2.76 2.67 0.00 0.00 6.94 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 8 R 8.62 4.00 0.00 2.06 2.28 0.00 3.11 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 9 N 8.74 4.37 0.00 2.84 2.91 0.00 0.00 6.85 7.86 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 10 I 7.41 3.67 1.87 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 1.52 0.97 0.91 0.00 0.00 11 R 7.90 4.02 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.16 4.03 0.00 1.74 1.70 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.60 4.37 0.00 2.88 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 14 L 7.96 3.93 0.00 1.78 1.85 0.93 1.23 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 15 A 8.28 4.12 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 16 D 8.07 4.32 0.00 2.94 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 17 A 7.95 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 18 I 8.08 3.65 2.07 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 1.53 0.77 0.95 0.00 0.00 19 L 8.32 4.02 0.00 1.84 1.75 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.00 3.92 0.00 1.77 1.81 0.92 0.79 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 21 S 8.13 4.05 0.00 3.92 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 22 K 8.40 3.79 0.00 1.77 1.91 0.00 1.14 0.00 0.00 1.19 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.23 7.81 23 A 8.08 3.92 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 24 K 8.15 3.87 0.00 1.86 1.89 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 25 K 8.08 4.19 0.00 1.68 1.82 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.54 7.81 26 D 7.70 4.29 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.80 4.67 0.00 1.67 1.44 0.92 0.62 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 28 S 8.66 4.65 0.00 4.00 3.93 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 29 F 8.35 4.19 0.00 3.22 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 30 A 8.16 4.07 1.36 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 0.00 0.00 0.00 31 E 8.06 3.93 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 2.34 2.35 0.00 32 I 7.63 3.84 1.92 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 1.43 0.49 0.96 0.00 0.00 33 A 8.24 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.13 4.45 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.07 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 36 T 7.69 4.05 4.29 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 1.29 0.00 0.00 37 G 8.29 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 38 L 7.54 4.77 0.00 1.72 1.65 1.05 0.38 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 39 A 8.30 4.18 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 40 E 8.92 3.89 0.00 2.08 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 2.43 2.48 0.00 41 A 7.96 3.92 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 42 F 8.12 3.90 0.00 3.20 3.23 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 43 V 8.16 3.60 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 1.05 0.00 0.00 1.10 0.00 0.00 44 T 8.13 3.78 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 0.39 0.00 0.00 45 A 7.81 3.81 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.50 4.19 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.68 3.97 0.00 1.87 1.85 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.60 4.50 0.00 1.55 1.63 0.75 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.11 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 50 Q 8.28 4.50 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 51 Q 7.40 4.41 0.00 1.48 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.01 1.38 0.00 52 A 8.30 4.95 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 53 L 8.59 4.68 0.00 1.66 1.65 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.42 0.00 2.09 1.99 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 55 A 8.91 3.98 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 56 D 8.12 4.28 0.00 2.71 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 57 A 8.01 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.29 3.95 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 59 R 8.26 3.88 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 60 L 8.06 3.93 0.00 1.90 1.84 0.93 0.99 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 61 V 8.18 3.80 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 0.89 0.00 0.00 1.01 0.00 0.00 62 G 8.36 3.66 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 0.00 0.00 0.00 63 A 8.12 4.01 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 64 K 7.85 3.94 0.00 1.92 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.71 7.81 65 L 7.58 4.50 0.00 1.72 1.66 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.66 4.41 0.00 2.79 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 67 L 8.08 4.38 0.00 1.60 1.59 0.93 0.92 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 68 D 8.25 4.71 0.00 2.95 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 69 E 8.54 3.98 0.00 2.00 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 2.40 2.34 0.00 70 D 8.07 4.36 0.00 2.72 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 71 S 8.74 4.11 0.00 4.03 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 72 I 7.64 3.72 2.00 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 1.57 0.56 0.92 0.00 0.00 73 L 8.18 4.25 0.00 1.86 1.86 0.93 0.67 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 74 L 8.28 4.03 0.00 1.89 1.70 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.06 4.09 0.00 1.88 1.73 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.72 4.53 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 77 M 7.22 4.51 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.52 0.00 78 I 8.75 4.03 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 0.92 0.00 0.00 79 P 0.00 4.68 0.00 2.10 2.05 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 80 L 8.29 4.35 0.00 1.67 1.65 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.24 4.14 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 82 G 8.33 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 0.00 0.00 0.00 83 C 8.16 4.30 0.00 3.06 3.02 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 84 I 7.40 4.16 1.85 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 0.56 0.89 0.00 0.00 85 D 8.86 4.46 0.00 2.63 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 86 D 7.31 4.64 0.00 2.60 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 0.00 0.00 0.00 0.00 87 R 8.22 4.28 0.00 1.98 2.06 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.17 4.07 1.75 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.64 0.00 0.00 89 P 0.00 4.44 0.00 2.17 2.03 0.00 3.28 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 90 T 8.31 4.20 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 1.19 0.00 0.00 91 D 7.97 4.48 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.31 0.00 2.23 2.13 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 93 T 8.02 3.95 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 94 M 8.21 4.50 0.00 2.11 2.21 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 2.70 2.60 0.00 95 Y 8.84 4.00 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.03 3.96 0.00 1.48 1.70 0.00 3.34 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 97 F 7.78 4.11 0.00 3.30 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 98 Y 7.84 3.97 0.00 2.92 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 99 E 8.10 3.64 0.00 1.93 1.99 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 2.29 2.36 0.00 100 M 8.05 4.06 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 101 L 7.45 4.01 0.00 1.52 1.55 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.57 3.80 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 1.68 2.29 0.00 103 V 7.76 3.68 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 0.82 0.00 0.00 104 Y 8.19 4.73 0.00 3.21 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 0.00 105 G 8.22 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.83 4.02 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 1.20 0.00 0.00 107 T 7.89 3.89 4.60 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 1.34 0.00 0.00 108 L 8.38 3.99 0.00 1.84 1.73 0.95 0.91 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 0.00 109 K 8.12 3.75 0.00 1.83 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 110 A 8.17 4.03 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 0.00 111 L 8.37 4.00 0.00 1.75 1.76 0.94 0.70 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 0.00 112 V 8.10 3.81 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 1.03 0.00 0.00 0.92 0.00 0.00 113 H 8.18 4.90 0.00 3.25 3.35 0.00 5.68 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 0.00 114 E 8.15 3.95 0.00 2.04 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 0.00 2.29 2.33 0.00 115 K 8.38 3.94 0.00 1.54 1.19 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.47 7.81 116 F 9.09 4.10 0.00 2.45 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 0.00 0.00 0.00 117 G 7.78 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 0.00 118 D 8.82 4.71 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.83 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 0.00 120 I 7.95 4.80 1.87 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 1.21 1.45 0.94 0.00 0.00 121 I 8.12 4.66 1.81 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.65 0.96 0.00 0.00 122 S 9.07 4.24 0.00 3.89 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 0.00 123 A 8.54 3.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.62 4.27 1.88 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 1.26 0.95 0.93 0.00 0.00 125 N 8.26 4.78 0.00 2.78 2.75 0.00 0.00 6.75 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 0.00 126 F 7.98 5.31 0.00 3.12 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.16 4.63 0.00 1.41 1.39 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.26 7.81 128 L 8.24 5.57 0.00 1.64 1.25 1.00 0.81 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 0.00 129 D 8.36 4.78 0.00 2.66 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 0.00 130 V 8.34 4.77 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 8.97 4.71 0.00 1.68 1.64 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.48 7.81 132 K 8.64 4.91 0.00 1.78 1.72 0.00 2.01 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 V 8.74 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 0.73 0.00 0.00 0.94 0.00 0.00 134 A 8.71 4.35 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 0.00 135 D 9.03 4.56 0.00 2.72 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 0.00 136 P 0.00 4.50 0.00 2.22 2.18 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 137 E 8.53 4.24 0.00 2.06 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 2.31 2.25 0.00 138 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 0.00 139 G 9.17 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 0.00 140 E 8.38 5.18 0.00 1.81 1.82 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 2.21 2.32 0.00 141 R 9.30 4.81 0.00 1.67 1.78 0.00 3.26 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.58 4.98 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 0.00 143 V 8.93 4.16 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 0.96 0.00 0.00 0.94 0.00 0.00 144 I 8.34 4.88 1.99 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.92 0.00 0.00 145 T 8.74 4.51 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 1.18 0.00 0.00 146 L 8.55 4.69 0.00 1.63 1.93 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.75 4.70 0.00 2.60 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.46 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.91 4.28 0.00 1.92 1.72 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 150 Y 8.86 4.58 0.00 2.75 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 0.00 151 G 9.01 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 0.00 152 P 0.00 4.68 0.00 1.84 1.86 0.00 3.42 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.58 0.00 153 T 8.96 4.06 4.29 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 1.25 0.00 0.00 154 K 8.57 4.57 0.00 1.77 1.80 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.33 7.81 155 P 0.00 4.58 0.00 2.17 2.06 0.00 3.80 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 2.02 1.98 0.00 156 F 7.85 4.52 0.00 3.12 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