NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 K 4.3779 8.1733 120.0853 55.6417 34.7335 174.4933 16 K 4.8644 7.9822 118.7513 54.1865 35.7693 173.8522 17 R 4.6247 9.0242 120.5606 54.8963 35.4517 173.5023 18 Y 5.3137 8.8762 119.7330 56.0928 41.2952 174.6936 19 I 4.8957 8.9380 117.1114 59.0195 40.5786 174.3013 20 A 5.0047 8.8239 129.1401 50.9430 20.5296 175.9877 21 F 5.3288 8.5686 115.4296 55.1680 42.1578 173.3578 22 K 5.0098 9.0470 120.6124 54.5404 35.8411 174.9095 23 V 4.9876 8.4270 124.9807 60.1017 33.7698 175.1371 24 I 4.4183 8.9589 126.4417 60.2997 38.1972 174.6135 25 S 4.7800 8.3367 120.4418 56.9690 65.2325 173.6806 26 E 4.0558 8.9715 123.6899 58.0131 29.5729 175.7330 27 N 4.9487 7.4677 113.3221 50.2852 40.3621 173.5513 28 Q 4.3189 7.9954 117.0439 55.7409 29.5323 175.7192 29 F 5.3379 8.5512 117.2188 56.0551 43.2843 174.2056 30 N 5.3363 8.5633 120.0144 51.2581 39.6048 176.0636 31 K 4.0408 8.8078 118.9645 60.1559 32.0979 178.7048 32 D 4.3308 8.1965 118.2575 57.5946 40.7527 178.8736 33 E 3.8644 8.2627 119.0799 59.4829 29.5667 179.5548 34 I 3.4384 7.3227 112.4449 63.3594 37.4330 177.9241 35 K 3.7182 7.8834 121.7168 59.2896 32.0218 178.2645 36 E 3.8864 8.0579 119.2159 59.2066 29.5041 178.2515 37 A 3.9192 7.8785 120.7481 55.6264 18.2733 179.5398 38 I 3.4946 7.9863 118.3114 64.3289 37.0284 178.4415 39 W 3.9086 7.9771 128.9812 60.5418 30.6327 177.6370 40 N 4.2277 8.5590 116.2303 56.4010 37.9890 177.1484 41 A 3.9132 8.2363 122.2054 55.6127 18.5203 179.6249 42 C 4.0599 7.6526 115.1139 62.4995 28.0575 176.4826 43 L 3.6800 7.6368 120.8093 57.7366 41.0216 179.6559 44 R 3.8734 7.8993 116.7518 59.6386 30.1186 179.0797 45 T 4.1210 7.6858 113.9488 66.1454 69.1070 176.4172 46 L 4.3744 8.3181 119.6524 53.0981 42.3578 177.5918 47 G 4.2889 7.6246 106.5417 45.0686 0.0000 174.5057 48 E 3.8074 8.5390 118.0492 59.1796 29.3166 179.5822 49 L 3.9566 7.8325 119.7642 58.1060 42.2505 178.8776 50 G 3.9745 7.8844 106.4218 47.6239 0.0000 175.3880 51 T 3.6754 8.1243 118.4735 66.1561 68.1590 176.4623 52 A 3.9710 7.6045 121.6152 55.1275 18.4263 179.6241 53 K 4.0199 7.7368 115.7435 59.5312 32.4394 179.2788 54 A 3.9898 8.1474 121.1582 52.6477 19.3498 176.9904 55 K 3.6715 8.1698 115.8458 57.1517 29.8835 172.4760 56 P 4.9091 0.0000 0.0000 61.9935 32.7357 177.1970 57 W 5.4863 9.4692 134.7185 55.7701 34.1744 174.0893 58 L 4.6273 7.8031 129.6441 53.8114 40.2708 175.7769 59 I 3.9155 8.2197 118.6524 63.2565 38.4213 176.6243 60 K 4.7226 7.8814 122.2155 54.8217 35.8494 174.7252 61 F 5.1586 8.6765 127.6305 56.4915 41.4169 174.1513 62 D 4.2363 8.7923 129.6005 53.1980 39.6088 176.1993 63 E 3.8118 8.3343 126.5503 59.3213 29.9429 179.1958 64 T 3.9240 7.7947 112.7713 64.9670 67.3882 175.1863 65 T 4.3344 7.8274 107.5707 60.4665 69.7992 174.4165 66 Q 3.1298 7.4497 120.2209 57.8487 26.9335 172.9049 67 T 4.6248 6.3563 112.6833 62.0116 73.8521 174.7288 68 G 4.2508 7.1033 109.0466 46.0353 0.0000 172.1136 69 I 5.3217 8.8853 120.3030 59.4450 41.0432 175.2294 70 I 4.9825 8.7778 125.2418 59.6288 41.1729 174.3667 71 R 5.0859 9.2838 126.1796 54.9685 32.9852 174.7171 72 S 5.2829 8.3637 117.5365 57.4861 67.0020 173.0601 73 D 4.5138 8.9616 121.3910 54.6202 41.3650 177.3966 74 R 3.7538 8.5765 125.5903 59.3755 30.1239 176.8232 75 N 4.7443 8.4499 112.7779 53.5037 38.7594 174.8388 76 H 5.0524 8.2507 114.4993 54.8821 30.8625 175.4198 77 V 3.4077 7.9779 120.9546 66.5285 31.2056 177.3667 78 Y 4.4268 7.5454 114.1909 59.8537 37.7549 177.3101 79 D 4.5518 8.0460 120.6035 56.5761 41.3544 178.7937 80 V 3.6399 7.6531 118.4395 65.6923 31.5261 178.0627 81 I 3.6381 7.9134 119.6843 64.4356 36.8442 177.8059 82 F 3.9022 8.0311 120.1019 61.8542 39.3980 177.2611 83 S 4.3218 8.1835 114.4081 61.5731 62.6711 176.6549 84 L 4.0133 7.9513 121.7060 57.9596 41.0599 179.6662 85 T 3.8464 7.7878 115.2132 66.3609 68.4465 175.9727 86 L 4.3199 7.0497 116.7047 54.5947 41.7271 177.2322 87 V 3.5833 7.1551 119.7156 62.8268 30.5827 175.8232 88 S 4.1883 8.5926 122.9338 60.4487 62.6661 173.4529 89 D 4.8643 7.5979 116.4851 51.4088 42.3897 174.9332 90 I 4.1105 7.9338 118.9084 60.3531 39.2179 173.7663 91 N 4.1685 8.9618 128.7388 54.7441 36.4204 175.9321 92 G 4.0539 8.5422 107.0510 45.1957 0.0000 174.0064 93 N 4.7576 7.7707 117.9360 51.2696 39.3050 174.5797 94 K 4.1252 8.7191 124.7009 57.1181 32.7335 175.3328 95 A 4.8677 7.7722 124.4040 51.3473 22.7516 175.3368 96 I 4.7019 8.4910 112.8729 59.0139 41.5105 174.1139 97 I 5.1212 8.3708 123.3844 59.1222 40.4176 174.3965 98 K 4.7698 8.8996 128.4227 54.9167 35.4862 176.2828 99 V 4.2906 8.4586 116.1720 61.5638 32.2435 176.1558 100 L 4.4043 9.5539 123.6987 53.8661 42.7672 177.2389 101 G 3.5600 6.6480 110.8307 44.8253 0.0000 171.6830 102 V 4.5805 7.1469 113.8725 59.8747 34.1424 175.1205 103 S 4.6047 8.5406 113.7216 57.5517 65.1812 175.8721 104 G 3.6707 8.6745 113.6342 47.7801 0.0000 174.8317 105 T 4.6497 7.4725 109.6231 59.3326 72.5060 175.7226 106 I 3.4919 7.6575 121.6604 64.0951 37.0531 178.4693 107 K 3.8829 7.9168 120.0449 59.6331 31.6944 178.6040 108 R 3.9237 7.8541 118.4795 59.1488 28.3926 178.3220 109 L 4.2187 7.7863 119.7745 58.0233 42.2283 178.7079 110 K 3.9190 8.8969 120.2404 59.1515 32.0365 177.2946 111 R 4.1518 8.0654 119.9386 57.7401 29.4483 177.0821 112 K 3.6715 6.8528 122.5350 58.3356 33.2423 177.3584 113 F 4.8461 8.0840 115.1198 59.1461 42.8531 176.1048 114 L 4.3773 7.7992 118.8198 57.4829 41.7158 179.5092 115 S 5.1393 8.4708 112.4693 61.0319 62.7424 174.6804 116 Q 4.5183 7.9855 117.3299 55.9948 29.0517 175.0301 117 F 4.7050 8.5334 118.4719 57.5922 42.6789 174.3975 118 G 4.0055 9.0062 107.3666 46.7753 0.0000 173.4399 119 W 4.8239 7.8484 118.0388 54.8339 32.7760 176.6417 120 R 4.2640 8.4799 115.7624 57.0651 28.2549 174.6617 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 15 K 8.17 4.38 0.00 1.72 1.90 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 16 K 7.98 4.86 0.00 1.57 1.33 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.46 7.81 17 R 9.02 4.62 0.00 1.55 1.63 0.00 3.22 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 18 Y 8.88 5.31 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.94 4.90 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.80 0.00 0.00 20 A 8.82 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.57 5.33 0.00 3.10 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 22 K 9.05 5.01 0.00 1.62 1.65 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.40 7.81 23 V 8.43 4.99 2.35 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 1.18 0.00 0.00 1.25 0.00 0.00 24 I 8.96 4.42 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.97 0.00 0.00 25 S 8.34 4.78 0.00 4.09 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 26 E 8.97 4.06 0.00 1.96 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 2.29 2.34 0.00 27 N 7.47 4.95 0.00 2.61 2.64 0.00 0.00 6.06 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 28 Q 8.00 4.32 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 29 F 8.55 5.34 0.00 3.28 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 30 N 8.56 5.34 0.00 3.05 3.02 0.00 0.00 7.13 6.99 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 31 K 8.81 4.04 0.00 1.92 1.94 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.70 1.74 7.81 32 D 8.20 4.33 0.00 2.75 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 33 E 8.26 3.86 0.00 2.23 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 2.34 2.51 0.00 34 I 7.32 3.44 1.51 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.61 0.42 0.00 0.00 35 K 7.88 3.72 0.00 1.78 1.92 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.31 1.23 7.81 36 E 8.06 3.89 0.00 2.05 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 2.32 2.36 0.00 37 A 7.88 3.92 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 38 I 7.99 3.49 1.98 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 1.09 0.80 0.87 0.00 0.00 39 W 7.98 3.91 0.00 3.56 3.30 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 40 N 8.56 4.23 0.00 2.77 2.88 0.00 0.00 7.02 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.24 3.91 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 42 C 7.65 4.06 0.00 2.66 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 43 L 7.64 3.68 0.00 1.66 1.58 0.62 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.90 3.87 0.00 1.71 1.97 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 45 T 7.69 4.12 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 46 L 8.32 4.37 0.00 1.68 1.59 0.84 0.82 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 47 G 7.62 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 0.00 0.00 0.00 0.00 48 E 8.54 3.81 0.00 1.98 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 2.38 2.32 0.00 49 L 7.83 3.96 0.00 1.67 1.60 0.89 0.99 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 50 G 7.88 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.12 3.68 4.10 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 0.70 0.00 0.00 52 A 7.60 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.74 4.02 0.00 1.62 1.78 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.61 7.81 54 A 8.15 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 55 K 8.17 3.67 0.00 1.94 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.54 7.81 56 P 0.00 4.91 0.00 2.09 2.03 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 57 W 9.47 5.49 0.00 3.29 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 58 L 7.80 4.63 0.00 1.45 1.14 0.78 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.22 3.92 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 1.20 0.00 0.00 60 K 7.88 4.72 0.00 1.96 1.96 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.48 7.81 61 F 8.68 5.16 0.00 3.04 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 62 D 8.79 4.24 0.00 2.34 2.47 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 63 E 8.33 3.81 0.00 1.95 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 0.00 2.62 2.41 0.00 64 T 7.79 3.92 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 1.24 0.00 0.00 65 T 7.83 4.33 4.38 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 1.28 0.00 0.00 66 Q 7.45 3.13 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 67 T 6.36 4.62 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 0.47 0.00 0.00 68 G 7.10 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 0.00 0.00 0.00 0.00 69 I 8.89 5.32 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.80 1.02 0.00 0.00 70 I 8.78 4.98 1.93 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.99 0.94 0.00 0.00 71 R 9.28 5.09 0.00 1.99 1.94 0.00 3.09 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.00 72 S 8.36 5.28 0.00 4.00 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 73 D 8.96 4.51 0.00 2.82 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 74 R 8.58 3.75 0.00 1.82 1.93 0.00 3.29 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 75 N 8.45 4.74 0.00 2.64 2.67 0.00 0.00 6.79 7.92 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 76 H 8.25 5.05 0.00 3.09 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.98 3.41 1.60 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 0.51 0.00 0.00 0.83 0.00 0.00 78 Y 7.55 4.43 0.00 3.11 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 79 D 8.05 4.55 0.00 2.89 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 80 V 7.65 3.64 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 81 I 7.91 3.64 2.01 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 1.39 0.49 1.00 0.00 0.00 82 F 8.03 3.90 0.00 3.25 3.29 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 83 S 8.18 4.32 0.00 4.08 3.98 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 84 L 7.95 4.01 0.00 1.71 1.56 0.71 0.35 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 85 T 7.79 3.85 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 1.10 0.00 0.00 86 L 7.05 4.32 0.00 1.69 1.62 0.69 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.16 3.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.89 0.00 0.00 88 S 8.59 4.19 0.00 3.87 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 D 7.60 4.86 0.00 2.91 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 90 I 7.93 4.11 1.62 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.74 0.41 0.00 0.00 91 N 8.96 4.17 0.00 2.90 3.00 0.00 0.00 7.13 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 92 G 8.54 4.05 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 0.00 0.00 0.00 93 N 7.77 4.76 0.00 3.16 3.03 0.00 0.00 6.45 8.17 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 94 K 8.72 4.13 0.00 1.75 1.78 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 95 A 7.77 4.87 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 96 I 8.49 4.70 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 1.14 1.18 0.93 0.00 0.00 97 I 8.37 5.12 1.93 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 0.83 0.00 0.00 98 K 8.90 4.77 0.00 1.87 1.89 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.43 7.81 99 V 8.46 4.29 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 0.72 0.00 0.00 0.95 0.00 0.00 100 L 9.55 4.40 0.00 1.40 1.80 0.87 0.63 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 0.00 101 G 6.65 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.15 4.58 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 0.55 0.00 0.00 0.91 0.00 0.00 103 S 8.54 4.60 0.00 3.98 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 0.00 104 G 8.67 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 0.00 0.00 0.00 105 T 7.47 4.65 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 1.27 0.00 0.00 106 I 7.66 3.49 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.36 0.81 0.00 0.00 107 K 7.92 3.88 0.00 1.78 1.81 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.46 7.81 108 R 7.85 3.92 0.00 1.92 2.08 0.00 3.37 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 109 L 7.79 4.22 0.00 2.01 1.90 0.84 0.37 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 0.00 110 K 8.90 3.92 0.00 1.93 1.98 0.00 2.26 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.61 7.81 111 R 8.07 4.15 0.00 2.17 1.87 0.00 3.22 0.00 0.00 3.16 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 112 K 6.85 3.67 0.00 0.89 0.87 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.29 7.81 113 F 8.08 4.85 0.00 2.96 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 0.00 114 L 7.80 4.38 0.00 1.60 0.91 -0.85 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.47 5.14 0.00 4.00 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 0.00 116 Q 7.99 4.52 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.64 0.00 117 F 8.53 4.70 0.00 3.33 3.16 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 0.00 118 G 9.01 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 0.00 119 W 7.85 4.82 0.00 3.52 3.13 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 0.00 120 R 8.48 4.26 0.00 1.90 1.88 0.00 3.23 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00