NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9478 8.3549 109.7415 44.3307 0.0000 173.2686 2 L 4.3624 7.4155 120.8896 49.9409 43.7188 175.8641 3 S 4.4454 9.1216 119.0726 58.1593 66.0097 174.9798 4 D 4.6776 8.7972 121.7815 57.5090 40.4893 179.2728 5 G 3.7097 8.0642 105.7748 47.3561 0.0000 175.7068 6 E 3.9295 8.0431 120.4088 59.0283 29.3726 179.2137 7 W 4.5907 8.1717 119.0262 60.0702 29.0673 178.3208 8 Q 4.1137 8.2482 117.7985 59.4561 28.3505 179.3376 9 Q 4.0612 8.2667 118.7286 58.8406 28.6772 179.1810 10 V 3.7794 8.0073 119.3390 66.2107 31.6901 178.2210 11 L 4.2449 8.4909 119.0890 57.6371 41.2209 178.6405 12 N 4.3257 8.3813 116.8710 56.9154 39.1071 176.9487 13 V 3.7689 7.9860 119.9347 64.6580 31.2712 178.0684 14 W 3.9157 8.6008 129.1089 59.8670 30.3402 178.0327 15 G 3.7187 8.1584 106.0947 47.9147 0.0000 175.7234 16 K 3.7781 7.6523 120.7332 59.0749 31.9299 179.6089 17 V 2.6586 6.8685 118.4733 65.4895 30.9527 177.9483 18 E 3.8722 7.2454 117.4891 59.0204 29.3184 178.2394 19 A 4.1068 7.2184 120.4747 54.5702 18.7727 177.7244 20 D 4.7228 7.8308 114.9554 52.0445 42.8761 175.3561 21 I 3.6885 8.0576 124.7765 63.7317 37.4062 177.3823 22 A 4.1763 7.3703 122.5288 54.4629 18.3769 179.6607 23 G 3.6987 8.2807 105.5222 47.7789 0.0000 175.2777 24 H 4.0636 7.9023 119.4083 58.4239 28.7614 177.9729 25 G 3.5971 8.2596 107.2789 47.9195 0.0000 175.5952 26 Q 3.9201 8.1522 121.0445 58.7848 28.7975 179.0189 27 E 3.8785 8.1356 119.3837 59.1492 29.3045 179.7513 28 V 3.5230 7.9068 118.4704 66.0678 31.6249 178.2011 29 L 3.4410 7.7856 118.6968 57.4771 41.3063 179.6296 30 I 3.6913 7.8197 120.0374 64.2271 37.0021 178.2803 31 R 3.8011 7.8609 119.5296 59.3028 29.7924 178.0810 32 L 3.9175 7.9556 120.2192 58.5065 41.8836 179.1538 33 F 4.6012 8.1881 118.1173 60.4554 38.5180 177.9442 34 T 4.0967 8.0514 109.2360 64.7805 69.0156 177.0996 35 G 3.6300 8.2370 107.9431 46.2724 0.0000 173.6735 36 H 4.7373 8.2530 117.8056 52.0537 29.9072 171.7476 37 P 4.5720 0.0000 0.0000 64.7460 31.4185 177.5363 38 E 4.3668 8.6064 117.4016 59.0092 29.2070 179.2694 39 T 3.7689 8.0427 110.8539 64.4610 68.8279 176.2392 40 L 3.6620 7.9868 122.9281 57.8309 41.4258 178.5186 41 E 4.1270 7.9728 117.8873 58.3258 29.1227 178.5655 42 K 4.3475 7.8716 117.5693 56.6662 33.1099 176.9976 43 F 4.3091 7.7029 119.1214 54.9406 38.3033 175.5433 44 D 4.4036 8.4127 125.8836 57.0371 40.9001 178.7322 45 K 4.2759 7.7803 117.1345 58.5184 32.6336 178.0565 46 F 5.0325 7.3372 111.2093 56.7413 38.9674 176.1531 47 K 3.9656 7.9358 122.4645 59.9356 32.2500 177.6804 48 H 4.4501 8.1637 114.0454 57.2510 29.0814 175.7717 49 L 4.2961 7.4251 120.5769 54.7007 42.0224 176.6880 50 K 4.4386 9.5720 120.8930 56.8429 34.6114 176.8395 51 T 4.7466 7.5500 107.1491 59.0330 73.1792 174.3275 52 E 3.9083 8.5955 120.7082 59.0678 29.7655 178.2805 53 A 3.9747 8.0041 120.5261 55.3403 18.2184 179.3061 54 E 3.9125 7.8773 115.5664 59.8528 29.7168 179.1565 55 M 4.1382 8.2230 118.7901 58.4244 31.7825 179.0406 56 K 3.9889 8.2796 117.8476 58.8101 32.3237 178.5160 57 A 4.3459 7.6213 118.5614 51.7464 19.3702 177.2446 58 S 4.1418 7.2844 113.9886 57.7287 63.1374 174.5392 59 E 3.9655 8.8035 128.5457 59.2329 29.5537 178.2154 60 D 4.4018 7.9766 118.5916 57.2345 40.8766 178.4031 61 L 2.8486 7.6263 120.9325 57.4682 41.9804 178.5727 62 K 3.7224 7.6099 119.2888 59.6804 32.0431 178.7342 63 K 3.9673 8.0443 118.3528 59.4547 32.0127 179.4061 64 V 3.8366 7.9831 118.6419 66.2057 31.4058 178.3909 65 G 3.6347 8.4568 105.6150 47.7292 0.0000 176.0237 66 T 3.8780 7.9727 118.1083 66.6460 68.5341 176.6786 67 R 3.9478 8.1189 120.6186 59.3492 29.9633 178.6705 68 V 3.6446 7.9746 117.9240 66.2709 31.6423 178.1423 69 L 4.2843 7.8977 118.2577 57.7411 41.5862 179.5201 70 T 3.9493 8.3158 115.9739 66.7798 68.3531 176.4415 71 A 4.0194 8.0640 122.5358 54.9734 18.4014 179.4539 72 L 3.5957 8.3177 119.3791 57.9491 42.0962 179.1126 73 G 3.4153 8.1600 105.9057 47.8760 0.0000 175.5958 74 G 3.6532 7.6148 106.4775 47.4793 0.0000 175.5957 75 I 3.8412 7.2707 121.7661 64.1483 37.1294 178.4470 76 L 4.0008 7.9129 120.1540 57.8510 41.2002 179.8608 77 K 3.8841 7.8017 116.9775 58.7950 32.2227 178.9432 78 K 3.9198 7.7524 117.5581 56.3732 32.4854 176.6614 79 K 2.0000 8.3629 118.8066 56.4251 29.8347 175.2915 80 G 4.0221 7.8995 105.8879 45.7208 0.0000 173.8168 81 H 4.5660 7.4883 119.1579 55.2830 27.4517 174.7520 82 H 5.1726 7.2754 110.6391 54.0895 30.0004 175.9360 83 E 3.9235 8.6736 122.2523 60.3322 28.9699 178.5762 84 A 4.0394 7.9480 118.4269 55.3288 17.2670 178.9525 85 E 4.1250 8.1150 116.4688 59.0882 29.6362 178.9321 86 L 4.3770 8.2612 120.7040 57.5643 42.0956 178.7310 87 K 3.9231 8.0021 118.7386 59.2183 32.0790 177.3302 88 P 4.3254 0.0000 0.0000 65.6673 31.1042 178.1010 89 L 4.0370 7.5759 118.0801 57.9592 41.5665 178.6290 90 A 4.1988 8.3558 121.0466 55.4159 18.0940 179.2073 91 Q 3.9970 8.1426 118.1814 59.5862 28.5993 178.8967 92 S 4.3003 8.4028 115.0877 61.3467 63.2916 175.2045 93 H 4.5223 9.0071 119.0113 55.5401 28.5072 175.8896 94 A 3.9168 7.5822 121.4364 51.3106 19.9510 176.0864 95 T 4.1801 6.6215 103.4136 61.8784 71.5697 175.8495 96 K 3.7945 8.3974 122.0965 58.9758 33.1465 177.3174 97 H 4.5088 7.5133 122.0146 53.2037 30.6563 173.9001 98 K 3.9303 8.3690 124.4887 55.0969 32.2953 176.7966 99 I 4.3492 8.5803 128.0369 58.7606 38.1417 174.5205 100 P 4.3130 0.0000 0.0000 62.8637 32.1253 177.5307 101 I 3.5898 8.2843 123.6032 64.8148 37.0012 178.4157 102 K 3.6687 7.9000 119.4910 59.7893 31.8946 178.2545 103 Y 4.1240 7.7539 116.6481 60.8892 37.6589 178.3738 104 L 4.1957 7.8918 119.7367 57.4479 41.7647 178.9505 105 E 3.9346 7.9459 119.0929 59.4000 29.6521 178.6568 106 F 4.4796 7.9305 117.8758 60.9843 38.9616 177.5529 107 I 3.9463 8.0977 117.9500 63.6746 37.7240 177.8534 108 S 4.2236 8.4509 116.5416 61.8750 62.7774 176.2535 109 D 4.4598 8.3274 120.9564 57.5565 40.7050 178.9482 110 A 4.0514 8.1323 120.9672 55.1580 18.3793 179.5522 111 I 3.6558 8.2325 118.6943 64.8365 37.2662 178.4479 112 I 3.8569 8.0757 120.5904 64.9950 36.9657 177.9697 113 H 4.1846 8.4382 118.8160 59.2694 29.6433 177.5782 114 V 3.5664 7.8171 120.0110 65.8439 31.3584 178.0849 115 L 3.7512 7.7234 118.8758 57.8463 41.0921 178.9642 116 H 4.4910 7.8289 117.3359 59.3270 29.9196 177.0241 117 S 4.0877 7.9249 114.1269 61.0423 62.2986 175.6844 118 K 4.0865 7.9259 119.9751 57.7029 33.6586 176.9706 119 H 5.0337 8.3131 115.3629 54.0854 29.4218 173.0115 120 P 4.4906 0.0000 0.0000 65.3800 32.0330 179.1546 121 G 3.7574 8.1112 106.5748 47.3503 0.0000 173.7252 122 D 4.8840 7.9000 118.1004 54.0887 41.4727 177.2020 123 F 4.9720 7.9539 120.9024 56.0206 39.9355 174.0319 124 G 3.8503 7.8071 109.2776 43.9719 0.0000 171.5708 125 A 3.8759 8.5475 120.9187 55.8341 18.1475 179.8054 126 D 4.2060 7.9325 116.0321 57.3302 41.0050 178.7858 127 A 3.9479 7.7442 120.8629 55.0975 18.3526 179.5791 128 Q 2.9661 7.7057 116.8720 58.4537 28.6819 178.9993 129 G 3.5370 7.8271 106.5797 47.7375 0.0000 175.5851 130 A 3.8147 7.8926 123.4667 54.9760 18.4226 179.3624 131 M 4.0319 8.1077 116.7337 59.1467 32.3372 178.5264 132 T 3.9219 8.2946 116.2876 66.6869 68.6148 176.8120 133 K 4.1558 8.1313 120.1057 59.0617 32.0418 179.4079 134 A 3.8117 7.8840 121.3726 55.0115 18.1849 179.7289 135 L 4.1295 8.0005 117.6114 57.8337 41.7273 179.4066 136 E 3.9458 8.3107 118.6272 59.3405 29.4583 179.0213 137 L 3.9368 8.0370 120.2272 58.1756 42.0457 178.5780 138 F 4.2006 8.3500 120.3355 61.6374 39.2473 177.3396 139 R 3.3022 8.1454 117.5500 58.9334 29.7045 178.4317 140 N 4.1389 8.5006 117.1437 56.9878 38.8012 176.6656 141 D 4.3024 8.0733 120.0433 57.1563 40.7995 178.6700 142 I 3.3518 7.5625 120.3709 64.3710 36.9302 178.2433 143 A 3.4939 7.8551 121.3891 54.9512 17.4928 179.5872 144 A 3.9391 7.6315 119.4612 55.0889 18.4169 180.0907 145 K 3.9968 7.9539 116.9080 59.7891 32.1522 179.0642 146 Y 4.4437 8.2759 117.5750 61.2036 37.8198 179.0037 147 K 3.9325 7.9396 120.0228 59.7534 32.1510 178.5956 148 E 4.0310 7.6529 116.3612 59.2688 29.4868 178.6378 149 L 4.3878 7.9893 116.3548 54.7711 41.9484 177.5605 150 G 3.8055 8.0117 107.2584 45.6631 0.0000 172.8780 151 F 4.7943 8.0504 121.8212 55.9455 40.2295 175.3549 152 Q 4.0414 8.6505 128.3339 54.6572 28.5560 176.3456 153 G 2.7514 8.1043 111.4919 45.3585 0.0000 172.3111 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 G 8.35 3.95 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 0.00 0.00 0.00 2 L 7.42 4.36 0.00 0.80 0.51 0.46 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.12 4.45 0.00 4.09 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 4 D 8.80 4.68 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.06 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 0.00 0.00 0.00 6 E 8.04 3.93 0.00 2.06 1.72 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 2.22 2.27 0.00 7 W 8.17 4.59 0.00 3.51 3.15 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 8 Q 8.25 4.11 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 9 Q 8.27 4.06 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 10 V 8.01 3.78 2.49 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 1.27 0.00 0.00 0.89 0.00 0.00 11 L 8.49 4.24 0.00 1.84 1.80 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.38 4.33 0.00 2.82 3.09 0.00 0.00 7.25 8.05 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 13 V 7.99 3.77 2.49 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 1.09 0.00 0.00 0.85 0.00 0.00 14 W 8.60 3.92 0.00 3.77 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.16 3.72 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 0.00 0.00 0.00 16 K 7.65 3.78 0.00 1.44 1.28 0.00 1.73 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.46 7.81 17 V 6.87 2.66 0.70 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 0.21 0.00 0.00 -0.16 0.00 0.00 18 E 7.25 3.87 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 19 A 7.22 4.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.83 4.72 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 21 I 8.06 3.69 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 1.51 0.76 0.93 0.00 0.00 22 A 7.37 4.18 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 23 G 8.28 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 0.00 0.00 0.00 24 H 7.90 4.06 0.00 3.31 3.26 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.26 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 0.00 0.00 0.00 26 Q 8.15 3.92 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 27 E 8.14 3.88 0.00 2.06 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 2.26 2.37 0.00 28 V 7.91 3.52 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 1.12 0.00 0.00 1.00 0.00 0.00 29 L 7.79 3.44 0.00 1.48 1.02 0.86 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.82 3.69 1.87 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 1.41 0.66 0.90 0.00 0.00 31 R 7.86 3.80 0.00 1.97 2.13 0.00 3.04 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 32 L 7.96 3.92 0.00 1.73 1.44 1.05 1.07 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 33 F 8.19 4.60 0.00 3.04 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 34 T 8.05 4.10 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 1.26 0.00 0.00 35 G 8.24 3.63 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 0.00 0.00 0.00 36 H 8.25 4.74 0.00 2.99 2.79 0.00 5.64 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 37 P 0.00 4.57 0.00 2.16 2.13 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 38 E 8.61 4.37 0.00 2.30 2.32 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 2.37 2.47 0.00 39 T 8.04 3.77 4.39 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 0.69 0.00 0.00 40 L 7.99 3.66 0.00 1.24 1.80 0.21 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.97 4.13 0.00 2.13 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 2.35 2.42 0.00 42 K 7.87 4.35 0.00 1.67 1.55 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.68 1.86 7.81 43 F 7.70 4.31 0.00 2.37 1.76 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 44 D 8.41 4.40 0.00 2.63 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 45 K 7.78 4.28 0.00 1.85 2.09 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.47 7.81 46 F 7.34 5.03 0.00 3.08 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 47 K 7.94 3.97 0.00 1.87 2.16 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.38 7.81 48 H 8.16 4.45 0.00 3.30 3.45 0.00 5.53 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 49 L 7.43 4.30 0.00 1.65 1.60 0.93 0.72 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 50 K 9.57 4.44 0.00 1.81 1.80 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.49 7.81 51 T 7.55 4.75 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 1.21 0.00 0.00 52 E 8.60 3.91 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 53 A 8.00 3.97 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 54 E 7.88 3.91 0.00 2.14 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 2.34 2.34 0.00 55 M 8.22 4.14 0.00 2.08 2.24 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 2.87 2.64 0.00 56 K 8.28 3.99 0.00 1.82 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 57 A 7.62 4.35 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 58 S 7.28 4.14 0.00 3.71 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 59 E 8.80 3.97 0.00 2.10 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 2.37 2.45 0.00 60 D 7.98 4.40 0.00 2.81 2.97 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 61 L 7.63 2.85 0.00 0.41 1.32 0.84 0.68 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 62 K 7.61 3.72 0.00 1.91 1.90 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 63 K 8.04 3.97 0.00 2.02 1.88 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.60 7.81 64 V 7.98 3.84 2.32 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 1.20 0.00 0.00 1.38 0.00 0.00 65 G 8.46 3.63 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 0.00 0.00 0.00 66 T 7.97 3.88 4.45 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 1.23 0.00 0.00 67 R 8.12 3.95 0.00 1.96 2.20 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 68 V 7.97 3.64 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 1.16 0.00 0.00 1.17 0.00 0.00 69 L 7.90 4.28 0.00 1.80 1.90 0.87 1.36 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 70 T 8.32 3.95 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 71 A 8.06 4.02 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 72 L 8.32 3.60 0.00 1.67 1.70 0.19 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.16 3.42 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 74 G 7.61 3.65 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 75 I 7.27 3.84 1.77 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 1.50 0.84 0.80 0.00 0.00 76 L 7.91 4.00 0.00 1.13 1.60 -0.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.80 3.88 0.00 1.63 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.49 7.81 78 K 7.75 3.92 0.00 1.81 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.76 7.81 79 K 8.36 2.00 0.00 1.08 0.74 0.00 1.34 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.63 1.07 7.81 80 G 7.90 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 81 H 7.49 4.57 0.00 3.15 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.28 5.17 0.00 3.28 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.67 3.92 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 2.40 2.49 0.00 84 A 7.95 4.04 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 85 E 8.12 4.12 0.00 2.10 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 2.42 0.00 86 L 8.26 4.38 0.00 2.04 1.69 1.07 0.49 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 87 K 8.00 3.92 0.00 1.91 1.89 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.76 7.81 88 P 0.00 4.33 0.00 2.31 2.35 0.00 3.87 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 2.29 2.06 0.00 89 L 7.58 4.04 0.00 2.00 1.98 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.36 4.20 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 Q 8.14 4.00 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 92 S 8.40 4.30 0.00 4.08 4.13 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 0.00 0.00 0.00 0.00 93 H 9.01 4.52 0.00 3.53 3.64 0.00 5.76 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.58 3.92 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 95 T 6.62 4.18 4.15 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 1.19 0.00 0.00 96 K 8.40 3.79 0.00 1.74 1.92 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.58 7.81 97 H 7.51 4.51 0.00 3.12 3.11 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.37 3.93 0.00 1.29 0.98 0.00 1.33 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.67 1.10 7.81 99 I 8.58 4.35 2.16 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 1.30 1.04 1.19 0.00 0.00 100 P 0.00 4.31 0.00 1.47 1.69 0.00 2.89 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 0.99 1.86 0.00 101 I 8.28 3.59 1.75 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 1.37 1.22 0.75 0.00 0.00 102 K 7.90 3.67 0.00 1.65 1.60 0.00 1.92 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.70 1.38 7.81 103 Y 7.75 4.12 0.00 3.29 3.09 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 0.00 104 L 7.89 4.20 0.00 1.80 1.77 0.66 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.95 3.93 0.00 2.00 1.94 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 2.38 2.38 0.00 106 F 7.93 4.48 0.00 3.27 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 0.00 107 I 8.10 3.95 2.04 0.00 0.00 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 1.61 1.50 1.16 0.00 0.00 108 S 8.45 4.22 0.00 4.21 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 0.00 109 D 8.33 4.46 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.13 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 3.66 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.77 1.12 0.00 0.00 112 I 8.08 3.86 2.15 0.00 0.00 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 1.72 0.76 1.18 0.00 0.00 113 H 8.44 4.18 0.00 3.41 3.51 0.00 5.78 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 V 7.82 3.57 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 0.97 0.00 0.00 0.95 0.00 0.00 115 L 7.72 3.75 0.00 1.08 0.52 0.74 0.72 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 0.00 116 H 7.83 4.49 0.00 3.60 3.61 0.00 5.95 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 0.00 117 S 7.92 4.09 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 4.09 0.00 1.56 1.34 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.50 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.26 1.37 7.81 119 H 8.31 5.03 0.00 3.11 3.17 0.00 5.62 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 0.00 120 P 0.00 4.49 0.00 2.24 2.40 0.00 3.75 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 2.07 1.92 0.00 121 G 8.11 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 0.00 122 D 7.90 4.88 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 0.00 123 F 7.95 4.97 0.00 3.04 3.04 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 0.00 124 G 7.81 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 0.00 125 A 8.55 3.88 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 0.00 126 D 7.93 4.21 0.00 2.64 2.67 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 0.00 127 A 7.74 3.95 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 0.00 128 Q 7.71 2.97 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 1.94 1.16 0.00 129 G 7.83 3.54 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 0.00 0.00 0.00 130 A 7.89 3.81 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 0.00 131 M 8.11 4.03 0.00 2.56 2.46 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.93 0.00 132 T 8.29 3.92 4.40 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 1.22 0.00 0.00 133 K 8.13 4.16 0.00 1.63 1.72 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.56 7.81 134 A 7.88 3.81 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 0.00 135 L 8.00 4.13 0.00 1.81 1.85 1.03 0.93 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 0.00 136 E 8.31 3.95 0.00 2.25 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 2.33 2.42 0.00 137 L 8.04 3.94 0.00 1.88 1.97 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.20 0.00 3.12 3.27 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 0.00 139 R 8.15 3.30 0.00 1.94 1.78 0.00 3.12 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.86 0.00 140 N 8.50 4.14 0.00 2.86 2.78 0.00 0.00 7.27 8.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.07 4.30 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.56 3.35 1.35 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.12 0.05 0.00 0.00 143 A 7.86 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.63 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.95 4.00 0.00 1.90 1.94 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.63 7.81 146 Y 8.28 4.44 0.00 3.01 3.09 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 0.00 147 K 7.94 3.93 0.00 1.77 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 7.65 4.03 0.00 2.21 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 0.00 2.36 2.57 0.00 149 L 7.99 4.39 0.00 1.69 1.73 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 4.79 0.00 2.70 2.64 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 0.00 152 Q 8.65 4.04 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 153 G 8.10 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 0.00 0.00 0.00