NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4814 8.3049 120.3305 55.5278 33.0083 174.3516 2 M 4.4921 8.5612 123.6893 52.8510 34.5074 170.3188 3 V 4.3786 8.2800 122.0550 60.6644 34.2746 174.2178 4 W 4.5372 8.9829 135.0000 57.6712 31.1137 175.3548 5 T 4.0765 8.1648 123.4719 61.2634 67.3074 172.4647 6 P 4.5518 0.0000 0.0000 63.1487 32.2206 175.5810 7 V 4.0618 7.4239 119.6090 62.7422 33.0715 175.3465 8 N 4.2729 8.6125 125.1472 54.9187 36.1475 173.6499 9 N 4.9718 7.5718 108.6900 52.9969 40.0817 174.1805 10 K 4.2036 8.3418 116.1754 56.4974 32.8639 176.4477 11 M 5.0982 8.3418 120.0561 53.9264 35.8064 175.1867 12 F 4.5919 8.3805 116.5659 57.2037 40.9964 176.3419 13 E 3.5089 8.3197 122.1265 57.0817 27.8255 175.3170 14 T 3.8410 8.3754 121.7276 66.4795 68.9052 174.3042 15 F 4.5049 8.9848 123.9326 57.6889 36.7631 176.4043 16 S 4.4778 8.2344 114.7708 60.3216 63.0190 174.4392 17 Y 4.4341 8.3169 117.5701 58.0842 38.0501 174.9281 18 L 4.7522 7.6278 120.3135 51.9761 43.8838 174.4556 19 P 4.4132 0.0000 0.0000 62.1006 31.7455 174.9974 20 P 4.3085 0.0000 0.0000 62.7434 31.7961 176.3909 21 L 3.9768 8.2990 122.5282 54.7393 42.1279 178.0107 22 T 4.2308 8.1945 114.1652 61.1673 71.0863 175.2846 23 D 4.3354 8.5082 120.7790 57.5182 40.7478 178.7224 24 E 3.9157 8.0791 119.3817 59.2624 29.7999 178.7908 25 Q 3.8871 8.0458 118.2081 58.7543 28.7240 178.5444 26 I 3.6732 8.0344 120.9428 64.4551 37.1395 178.0358 27 A 4.0146 8.2277 121.4345 55.5105 18.1700 179.6036 28 A 3.9617 8.0561 118.9662 55.3552 18.4036 179.9318 29 Q 4.0886 8.0826 116.5099 59.0339 28.7762 179.1236 30 V 3.7315 8.2162 119.4721 66.1698 31.5476 177.6765 31 D 4.4412 8.5059 118.9946 57.6697 40.4978 178.3423 32 Y 4.1505 8.0869 119.8101 60.6545 38.9097 177.9389 33 I 3.9085 7.9796 120.8137 64.6377 37.3133 178.6244 34 V 3.5313 7.8796 118.5951 65.9571 31.1824 177.9191 35 A 3.9366 8.0595 119.6620 54.5358 18.2460 178.3328 36 N 4.0854 7.0870 112.4425 52.0279 38.7410 175.5406 37 G 3.7647 7.3380 108.2817 46.2152 0.0000 174.1452 38 W 4.9775 7.4636 118.6788 55.9687 30.8023 176.2636 39 I 4.3984 8.9848 123.0325 59.4606 37.9796 174.0315 40 P 4.9000 0.0000 0.0000 62.8924 32.7327 175.1909 41 C 4.9779 8.8681 121.7119 58.3775 35.5666 172.4732 42 L 5.2886 8.7466 124.2097 53.2957 44.3693 175.1772 43 E 5.6130 9.1619 120.7612 54.9629 34.2426 174.5256 44 F 5.6251 9.0199 116.1171 55.8696 42.0818 173.0301 45 A 4.5497 8.1369 120.1341 50.1893 22.6343 176.2374 46 E 4.2759 8.6288 118.6114 55.7263 30.7511 177.6564 47 A 4.2807 8.8929 123.0865 55.8902 18.3872 179.9230 48 D 4.4824 8.1851 113.3043 56.5090 41.0378 177.2769 49 K 4.5961 7.9275 117.0048 56.0429 32.4694 176.8810 50 A 3.9126 7.6468 124.7014 53.9052 18.8634 178.2880 51 Y 4.6589 7.4333 111.4578 55.6175 40.0974 175.7402 52 V 3.8328 8.3600 122.4054 63.8928 32.0302 175.2941 53 S 4.7495 8.7248 119.1727 57.5929 66.1877 173.6865 54 N 5.1860 8.5904 114.4995 52.5578 39.3248 176.1675 55 E 3.9145 8.3585 118.7540 59.8967 29.3011 179.1194 56 S 4.0791 8.7243 115.0317 60.4363 62.9148 176.0114 57 A 2.5800 7.7026 123.5580 53.6394 17.7344 179.0338 58 I 3.5588 6.8603 115.8315 63.8768 38.0037 177.2036 59 R 4.2353 7.4278 116.3452 55.9544 30.5325 176.4311 60 F 5.0122 7.1324 118.0350 56.1469 41.0735 177.6174 61 G 4.0441 8.2505 117.1268 46.2725 0.0000 175.9742 62 S 4.6202 8.4357 114.7663 58.2223 61.9695 174.4249 63 V 4.4776 7.2197 107.0936 61.1605 33.4208 177.6095 64 S 4.5020 8.2381 115.0385 59.6003 63.4964 173.2931 65 C 4.0225 8.1116 119.1346 61.4404 27.8718 173.1157 66 L 3.5619 8.3889 123.8752 55.6379 38.9730 173.3537 67 Y 4.3497 7.7340 119.5088 55.9976 39.8711 174.5020 68 Y 4.8719 7.1694 123.4048 56.3071 42.4355 174.7615 69 D 4.5042 8.8454 123.3815 55.2358 41.7245 176.6870 70 N 4.5361 8.8539 116.0666 54.4383 35.9871 176.1201 71 R 3.9619 8.0164 118.9993 59.3067 30.3868 177.2131 72 Y 4.3581 7.6567 114.6509 57.9249 38.4137 175.2511 73 W 5.0561 8.6807 124.3790 55.5393 32.6179 174.4682 74 T 4.3333 8.1689 117.3176 62.4437 69.5209 174.6269 75 M 4.5743 8.5811 126.8527 55.4621 33.1441 175.2563 76 W 4.8354 9.5197 135.0000 55.9869 31.1695 176.8797 77 K 3.4329 8.5380 129.2753 57.6732 30.3638 177.8952 78 L 4.9367 8.2324 125.6636 52.6538 44.9915 174.0428 79 P 4.3370 0.0000 0.0000 63.4618 32.2283 177.6369 80 M 4.3076 8.7214 123.4689 53.7796 30.4141 175.4468 81 F 4.4887 7.4444 118.9702 58.6568 40.0180 176.5278 82 G 3.9897 9.1189 112.4757 45.6037 0.0000 173.1143 83 C 4.2834 7.8620 120.5461 59.6838 31.7501 173.1770 84 R 4.5689 8.6271 124.0874 55.4996 31.5494 174.3575 85 D 4.8114 7.8079 118.1733 51.4284 42.8128 174.5031 86 P 4.3483 0.0000 0.0000 65.9417 31.2467 178.5277 87 M 4.1142 8.2080 117.1990 58.2819 31.8719 178.5407 88 Q 3.9672 8.0321 119.4877 59.0637 29.2397 178.4921 89 V 3.6232 7.7395 118.8118 66.0043 31.7114 177.7732 90 L 4.0210 8.0566 118.7327 58.0130 41.4022 179.7834 91 R 3.9857 8.2873 118.0528 59.2907 29.9704 179.0208 92 E 4.1101 8.2766 118.3168 59.1333 29.4292 179.1437 93 I 3.4908 7.8015 120.0325 64.3756 37.2335 178.3799 94 V 3.4631 7.6976 118.4723 66.0606 31.4274 177.8527 95 A 3.9587 8.0731 120.4677 55.1765 18.2426 179.1959 96 C 2.0000 7.8871 117.5637 62.0697 31.3495 175.9230 97 T 3.7135 7.5742 111.3942 64.5227 67.9201 176.2855 98 K 3.8128 7.6760 121.5055 59.2713 32.3170 178.4557 99 A 3.9891 7.5158 119.8246 53.4280 19.6306 177.6001 100 F 4.6864 7.6809 116.0061 54.9446 39.0301 173.9374 101 P 4.4338 0.0000 0.0000 64.1416 31.8982 177.9371 102 D 4.6784 8.0862 116.7939 53.8602 41.1624 175.3761 103 A 4.8191 7.2489 121.1621 50.3088 21.6344 176.9294 104 Y 4.1896 8.6170 117.7689 57.7979 39.4424 175.2487 105 V 5.2805 8.7746 123.3331 61.1036 35.0623 174.3208 106 R 4.9930 9.4417 123.9106 54.2773 32.9944 173.8814 107 L 4.7644 8.0790 123.2035 53.8121 44.0863 175.6298 108 V 4.7911 8.5557 117.8749 59.5932 36.6570 174.0866 109 A 4.9383 8.0339 121.6657 50.4870 22.8908 175.1838 110 F 5.2582 9.0630 119.7327 55.7269 42.6422 174.0421 111 D 5.4346 8.7638 122.5318 52.7970 42.4518 176.5848 112 N 4.7808 9.1410 122.6491 53.9560 38.4792 176.3430 113 Q 4.1754 8.7121 118.8075 58.9600 28.9676 177.5430 114 K 4.0403 8.2633 114.4498 56.7791 33.0929 176.4121 115 Q 3.4474 7.9890 118.9779 56.1272 27.1766 172.8165 116 V 4.5425 7.7417 117.0422 59.9144 35.1160 174.5043 117 Q 4.4190 8.7699 123.2498 56.6249 29.2716 175.5928 118 I 4.2405 8.1738 124.7258 61.1041 39.7035 174.5237 119 M 4.6517 6.7689 117.4017 54.4469 34.4822 173.7906 120 G 4.7822 8.3158 106.3335 47.0764 0.0000 172.3651 121 F 5.0603 7.1015 116.8551 55.2946 41.1824 172.8723 122 L 4.5427 8.8128 122.9932 55.5657 42.0818 176.8033 123 V 4.5158 9.0290 118.1675 61.4024 33.8362 175.5497 124 Q 4.6207 7.7598 121.2267 54.5036 32.4073 173.1048 125 R 4.3820 8.0650 121.3880 52.8705 32.7250 173.5109 126 P 4.1145 0.0000 0.0000 63.5092 31.6166 178.2769 127 K 4.1104 8.4879 121.9545 57.3132 31.8198 177.4459 128 S 4.4964 7.9506 109.2962 58.8058 63.5133 174.0811 129 A 4.3047 7.8205 125.3884 52.8221 18.3760 177.6621 130 R 4.6055 8.8738 120.3584 56.0120 31.5389 175.6090 131 D 4.9708 8.4521 117.3498 52.5052 39.7617 175.5807 132 W 5.5880 7.5883 114.2435 54.1982 31.3116 174.0229 133 Q 4.3609 8.4402 118.1979 52.9541 30.8478 174.1630 134 P 4.4564 0.0000 0.0000 62.4539 32.1543 176.9091 135 A 3.9409 9.1147 125.7359 56.4646 18.1462 180.0644 136 N 4.5811 8.2556 111.4677 54.1958 37.9080 177.9038 137 K 4.5687 7.7389 117.3914 55.2129 32.7546 182.9322 138 R 3.6929 7.5690 121.5170 58.6079 30.1859 176.7420 139 S 5.0804 7.4798 110.2089 56.2914 65.9719 174.2584 140 V 3.9842 8.4352 114.3101 61.7356 32.1471 175.6597 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 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.56 4.49 0.00 2.03 2.06 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 2.56 2.63 0.00 3 V 8.28 4.38 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 1.09 0.00 0.00 0.97 0.00 0.00 4 W 8.98 4.54 0.00 3.45 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 5 T 8.16 4.08 4.09 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 0.00 0.00 0.00 1.06 0.00 0.00 6 P 0.00 4.55 0.00 2.23 2.19 0.00 3.78 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 1.95 1.96 0.00 7 V 7.42 4.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.61 4.27 0.00 2.97 2.88 0.00 0.00 6.52 6.92 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 9 N 7.57 4.97 0.00 2.66 2.68 0.00 0.00 7.31 6.68 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 10 K 8.34 4.20 0.00 1.97 1.52 0.00 0.66 0.00 0.00 1.07 0.00 0.00 2.64 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.48 7.81 11 M 8.34 5.10 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 12 F 8.38 4.59 0.00 3.10 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.51 0.00 2.15 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 2.20 2.14 0.00 14 T 8.38 3.84 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 0.19 0.00 0.00 15 F 8.98 4.50 0.00 3.33 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 16 S 8.23 4.48 0.00 4.14 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 0.00 17 Y 8.32 4.43 0.00 3.03 3.19 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 18 L 7.63 4.75 0.00 1.88 1.61 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.41 0.00 2.04 2.02 0.00 3.71 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 2.04 2.15 0.00 20 P 0.00 4.31 0.00 2.05 2.00 0.00 3.73 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 2.12 2.21 0.00 21 L 8.30 3.98 0.00 1.58 1.48 0.34 0.52 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 22 T 8.19 4.23 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 1.18 0.00 0.00 23 D 8.51 4.34 0.00 2.70 2.76 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 24 E 8.08 3.92 0.00 2.01 1.91 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 2.35 2.38 0.00 25 Q 8.05 3.89 0.00 2.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 I 8.03 3.67 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.72 1.07 0.00 0.00 27 A 8.23 4.01 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 28 A 8.06 3.96 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 29 Q 8.08 4.09 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.32 1.81 0.00 30 V 8.22 3.73 2.30 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 1.10 0.00 0.00 1.08 0.00 0.00 31 D 8.51 4.44 0.00 2.96 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 32 Y 8.09 4.15 0.00 3.23 3.33 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 33 I 7.98 3.91 2.18 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.36 1.06 0.00 0.00 34 V 7.88 3.53 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 1.00 0.00 0.00 0.96 0.00 0.00 35 A 8.06 3.94 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 36 N 7.09 4.09 0.00 1.44 1.42 0.00 0.00 7.01 7.96 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 37 G 7.34 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 0.00 0.00 0.00 38 W 7.46 4.98 0.00 3.38 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 39 I 8.98 4.40 2.12 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.73 0.00 0.00 40 P 0.00 4.90 0.00 2.09 1.98 0.00 3.81 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.87 4.98 0.00 3.08 2.68 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 42 L 8.75 5.29 0.00 1.85 1.62 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.16 5.61 0.00 2.06 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 2.36 2.33 0.00 44 F 9.02 5.63 0.00 3.05 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 45 A 8.14 4.55 -0.14 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 46 E 8.63 4.28 0.00 2.18 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 0.00 2.30 2.28 0.00 47 A 8.89 4.28 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.19 4.48 0.00 2.70 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 49 K 7.93 4.60 0.00 1.51 1.70 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 A 7.65 3.91 0.58 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 51 Y 7.43 4.66 0.00 2.93 2.76 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 52 V 8.36 3.83 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 0.60 0.00 0.00 0.80 0.00 0.00 53 S 8.72 4.75 0.00 4.07 3.99 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 54 N 8.59 5.19 0.00 2.76 2.84 0.00 0.00 6.57 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 55 E 8.36 3.91 0.00 2.15 2.24 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 2.39 2.38 0.00 56 S 8.72 4.08 0.00 4.00 3.77 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 57 A 7.70 2.58 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 58 I 6.86 3.56 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.84 0.00 0.00 59 R 7.43 4.24 0.00 1.91 2.01 0.00 3.19 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 60 F 7.13 5.01 0.00 3.01 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.25 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 62 S 8.44 4.62 0.00 3.86 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 63 V 7.22 4.48 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 0.66 0.00 0.00 0.49 0.00 0.00 64 S 8.24 4.50 0.00 4.11 4.28 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 65 C 8.11 4.02 0.00 2.97 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 66 L 8.39 3.56 0.00 1.77 1.76 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.73 4.35 0.00 2.96 3.07 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 68 Y 7.17 4.87 0.00 2.81 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 69 D 8.85 4.50 0.00 2.80 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 70 N 8.85 4.54 0.00 3.06 3.24 0.00 0.00 6.99 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 71 R 8.02 3.96 0.00 1.53 1.66 0.00 3.08 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 72 Y 7.66 4.36 0.00 3.07 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 73 W 8.68 5.06 0.00 3.08 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.17 4.33 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 0.95 0.00 0.00 75 M 8.58 4.57 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 76 W 9.52 4.84 0.00 3.71 3.32 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 77 K 8.54 3.43 0.00 1.72 0.90 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.77 0.21 7.81 78 L 8.23 4.94 0.00 1.62 1.61 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.34 0.00 0.62 1.82 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 80 M 8.72 4.31 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 81 F 7.44 4.49 0.00 3.10 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 82 G 9.12 3.99 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 0.00 0.00 0.00 83 C 7.86 4.28 0.00 3.04 3.01 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 84 R 8.63 4.57 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 85 D 7.81 4.81 0.00 2.72 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 86 P 0.00 4.35 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.21 4.11 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 8.03 3.97 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.74 3.62 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 90 L 8.06 4.02 0.00 1.90 1.72 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.29 3.99 0.00 2.03 2.02 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 92 E 8.28 4.11 0.00 2.24 2.17 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 2.61 2.66 0.00 93 I 7.80 3.49 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 1.35 0.75 0.85 0.00 0.00 94 V 7.70 3.46 2.20 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 0.97 0.00 0.00 0.93 0.00 0.00 95 A 8.07 3.96 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.89 2.00 0.00 1.23 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 0.00 0.00 0.00 97 T 7.57 3.71 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 98 K 7.68 3.81 0.00 1.81 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.52 3.99 1.22 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 0.00 100 F 7.68 4.69 0.00 2.81 2.80 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 0.00 101 P 0.00 4.43 0.00 2.12 2.11 0.00 3.25 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 102 D 8.09 4.68 0.00 2.68 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 0.00 103 A 7.25 4.82 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 0.00 104 Y 8.62 4.19 0.00 2.51 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 0.00 105 V 8.77 5.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.87 0.00 0.00 106 R 9.44 4.99 0.00 1.83 1.90 0.00 2.32 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.00 107 L 8.08 4.76 0.00 1.50 0.73 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.56 4.79 1.63 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 0.44 0.00 0.00 0.48 0.00 0.00 109 A 8.03 4.94 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 0.00 110 F 9.06 5.26 0.00 2.99 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 0.00 111 D 8.76 5.43 0.00 2.42 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 0.00 112 N 9.14 4.78 0.00 2.94 3.05 0.00 0.00 6.31 7.39 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 0.00 113 Q 8.71 4.18 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 114 K 8.26 4.04 0.00 1.76 1.86 0.00 2.04 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 115 Q 7.99 3.45 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 116 V 7.74 4.54 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 0.60 0.00 0.00 0.91 0.00 0.00 117 Q 8.77 4.42 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 118 I 8.17 4.24 1.22 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.37 -0.64 0.00 0.00 119 M 6.77 4.65 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 120 G 8.32 4.78 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 0.00 0.00 0.00 121 F 7.10 5.06 0.00 3.23 3.32 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 0.00 122 L 8.81 4.54 0.00 1.64 1.62 0.68 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.03 4.52 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 0.74 0.00 0.00 0.91 0.00 0.00 124 Q 7.76 4.62 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 125 R 8.07 4.38 0.00 1.10 1.43 0.00 2.21 0.00 0.00 2.63 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.23 0.00 126 P 0.00 4.11 0.00 2.11 2.27 0.00 2.20 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 127 K 8.49 4.11 0.00 1.80 1.77 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.00 7.81 128 S 7.95 4.50 0.00 4.00 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 0.00 129 A 7.82 4.30 1.58 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 0.00 130 R 8.87 4.61 0.00 2.08 1.91 0.00 3.31 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 131 D 8.45 4.97 0.00 2.94 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 0.00 132 W 7.59 5.59 0.00 3.67 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 0.00 133 Q 8.44 4.36 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.03 0.00 134 P 0.00 4.46 0.00 2.15 2.09 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 135 A 9.11 3.94 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 0.00 136 N 8.26 4.58 0.00 2.76 2.73 0.00 0.00 6.34 7.44 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 0.00 137 K 7.74 4.57 0.00 1.74 1.66 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.24 7.81 138 R 7.57 3.69 0.00 1.43 0.66 0.00 3.01 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.68 0.00 139 S 7.48 5.08 0.00 4.08 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 0.00 140 V 8.44 3.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.96 0.00 0.00