NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2749 8.2649 123.5763 52.2671 21.0598 176.6539 1 M 3.8256 7.7616 114.5021 54.4627 32.6542 174.3690 2 A 4.5615 8.8792 127.6212 49.6520 22.4178 175.8348 3 L 3.5031 7.5719 121.8848 54.6917 42.2909 178.1448 4 T 4.2719 8.0639 113.9466 60.9374 71.2167 175.2410 5 E 3.9795 8.8289 122.5420 59.7595 29.5818 179.0818 6 A 4.0151 8.0810 120.1144 54.8833 18.4738 179.2474 7 W 3.9550 8.4457 126.8970 60.5964 30.7430 178.3067 8 L 4.2513 8.3420 119.0521 57.9691 41.0458 179.5735 9 I 3.7264 8.1540 120.0923 64.2831 36.7980 178.1363 10 E 3.8653 8.1108 119.3482 59.0140 29.8480 178.6571 11 K 3.8363 7.7334 118.2510 59.4442 32.0698 179.1117 12 A 4.0629 8.1532 121.0105 55.2903 18.3227 179.2393 13 N 4.4586 8.5903 114.6159 55.5009 38.2708 177.5685 14 R 3.9010 7.5778 119.2090 58.9694 30.4504 178.2170 15 K 4.3365 7.8673 116.8189 58.6314 32.7127 178.9227 16 L 4.2196 8.2429 118.2043 56.9970 41.6065 178.1483 17 N 4.6728 7.8421 114.3854 51.9928 39.3615 175.0965 18 A 4.0480 7.6177 125.1825 52.2216 19.0744 179.1587 19 G 3.6033 8.8124 110.9937 48.6686 0.0000 175.0677 20 G 2.2952 7.3295 107.2763 46.5113 0.0000 173.0561 21 M 4.5399 7.4493 120.9300 54.8998 32.6114 176.0678 22 Y 4.1676 8.4713 121.7823 57.5562 39.0306 176.9317 23 K 3.8716 9.0768 124.5559 59.9028 32.1983 178.7221 24 I 3.6872 7.9546 118.1347 64.5413 37.6741 177.6657 25 T 3.9896 8.0097 115.7882 67.0181 68.3869 176.7062 26 S 4.2549 8.1841 116.9449 61.6346 62.7515 176.5682 27 D 4.4027 8.6215 122.1168 57.3546 40.6212 179.0096 28 K 4.0709 8.2263 119.0872 59.6271 31.9679 179.6327 29 T 3.7316 8.2874 116.1225 66.6864 68.4202 176.7729 30 R 3.9254 8.3962 120.3414 59.3686 30.0566 178.6730 31 N 4.2989 8.4154 116.3747 56.5375 38.5318 177.6370 32 V 3.4906 7.6898 119.3075 65.8402 31.5577 177.9006 33 I 3.6826 7.9568 119.9285 64.5246 36.8663 178.5662 34 K 4.0087 8.1080 119.0619 59.2505 31.6624 179.3890 35 K 3.9197 7.9379 118.8785 59.8949 32.4121 178.5464 36 M 4.0995 8.4290 119.1305 58.1379 31.7997 178.6130 37 A 4.1082 7.9282 122.4338 54.4291 18.3442 179.6048 38 K 4.0920 7.7426 115.8593 58.3696 32.0921 178.2139 39 E 4.5427 7.8668 117.6278 55.4866 29.7534 176.3688 40 G 3.4917 7.7823 106.6395 45.5935 0.0000 173.5058 41 I 3.9570 7.0218 120.5034 59.3091 38.5833 174.0401 42 Y 5.0428 8.2603 123.8197 56.4496 39.6527 174.9437 43 L 5.1145 8.7546 124.5158 53.7053 43.7446 175.8045 44 C 4.6940 8.6952 122.1550 57.5122 34.5367 173.1364 45 V 4.2749 8.4563 126.0648 61.9496 30.6064 175.1249 46 A 4.3479 9.1264 131.8608 54.6394 19.0658 177.6160 47 Q 4.5281 8.1630 112.4287 55.7083 33.6280 174.3364 48 G 4.2876 9.0647 108.2256 46.2751 0.0000 174.4997 49 Y 4.6438 9.3619 118.3040 57.2719 40.6531 173.9879 50 R 4.7992 7.6151 124.9192 54.3574 33.8899 174.8789 51 S 4.6961 9.2284 121.1634 57.7510 64.5857 175.3060 52 T 3.7320 8.5260 110.6418 64.8816 68.2736 176.2960 53 A 3.9416 7.8625 123.0286 54.9771 18.5436 179.3147 54 E 3.9061 8.1263 117.1515 59.4432 29.4466 179.3282 55 Q 3.9484 8.3636 119.9891 59.3910 29.2396 178.1180 56 N 4.3150 8.4491 117.4482 56.2957 38.2870 177.3009 57 A 4.0592 7.7380 121.4923 54.9913 18.6622 179.4011 58 L 4.0818 8.0615 117.6078 58.1414 41.5037 179.0685 59 Y 3.9802 8.1347 118.2878 60.6097 38.8719 177.7840 60 A 4.1960 8.1585 121.5417 53.6076 18.3736 177.5530 61 Q 3.9440 7.3538 117.5368 57.8871 29.0280 178.1292 62 G 3.8430 8.9492 111.1204 45.7517 0.0000 173.0470 63 R 4.3589 7.3655 115.1247 57.3329 32.2133 176.8715 64 T 4.5634 8.1480 104.8826 60.9691 69.7749 173.5879 65 K 4.5452 7.4277 120.1084 55.0250 35.2190 173.4751 66 P 4.4551 0.0000 0.0000 63.0919 31.7450 175.1837 67 G 4.1713 8.3723 104.9456 42.8382 0.0000 173.3856 68 A 4.1304 7.9750 123.3211 51.3146 19.0697 177.3389 69 I 3.8390 8.1432 122.0693 61.0203 38.4348 176.0698 70 V 4.3519 8.2219 118.9655 61.2889 33.6847 175.0744 71 T 4.6657 7.5036 112.0910 61.0483 70.0879 172.5952 72 N 4.8663 8.7628 120.5562 52.7544 39.5063 174.2458 73 A 4.6149 7.9536 122.2783 50.1054 20.8124 177.4924 74 K 3.9215 8.5635 123.0794 54.6777 33.1541 176.7030 75 G 3.7550 8.8343 109.6337 47.8161 0.0000 174.1255 76 G 3.9293 9.4362 113.8997 45.2316 0.0000 173.9207 77 Q 4.5724 8.0009 116.5913 55.4374 29.7764 175.0460 78 S 4.8814 7.8252 113.4472 56.1789 64.6740 174.5718 79 N 4.7899 8.8694 123.8534 56.1844 38.9515 176.9212 80 H 4.3267 8.4721 115.8457 58.5410 28.8425 176.7748 81 N 4.5955 7.9470 114.5174 53.9267 38.6859 175.1902 82 Y 4.8073 7.9531 115.9147 57.3462 38.9132 176.6664 83 G 4.6221 8.6721 106.3039 46.3833 0.0000 175.2590 84 V 4.8567 8.1408 108.8488 59.7942 33.3241 174.8680 85 A 5.4778 8.2601 122.2202 50.2281 21.5055 176.2845 86 V 4.8791 8.9665 113.9152 59.7423 36.3578 174.3109 87 D 5.6472 9.3794 123.6959 53.0000 42.7027 175.6000 88 L 5.2103 9.3312 124.2623 53.7094 44.5618 175.8794 89 C 4.3196 8.7323 114.9075 57.3863 33.1237 172.1170 90 L 5.1773 7.8445 117.4829 53.7084 43.9453 175.7408 91 Y 5.0916 8.7750 120.7293 57.0865 39.5499 175.7726 92 T 4.3078 8.7327 113.3133 61.3247 70.0826 175.3450 93 N 4.2679 8.9031 119.1943 55.7093 38.6440 175.9125 94 D 4.3305 7.9730 115.5607 52.3261 39.6378 176.7505 95 G 3.6296 7.9811 106.5064 46.6360 0.0000 175.0941 96 K 4.3122 8.0742 117.9209 57.1624 32.7605 175.3685 97 D 4.8564 7.8600 117.3542 53.4167 45.3335 173.6302 98 V 4.9799 8.2675 112.1735 59.5823 35.7872 175.4769 99 I 4.5098 8.2310 122.2175 59.3722 40.8451 174.6311 100 W 4.6760 8.8455 126.5678 55.1436 30.0927 175.3716 101 E 4.6323 8.0354 124.2538 54.3977 32.1020 175.3757 102 S 4.5536 8.5713 114.5128 59.7770 64.6339 175.3345 103 T 4.8280 7.5993 107.1480 59.9866 69.6593 174.3176 104 T 4.1914 7.8597 113.1012 61.8036 70.8885 174.9936 105 S 4.1135 8.6267 117.3660 61.8382 62.7408 176.6835 106 R 3.8851 7.9731 121.7375 58.9182 29.8771 178.1756 107 W 4.3420 8.6396 128.4731 60.3419 30.6018 178.0955 108 K 3.6712 8.3555 118.6848 59.2469 31.4029 179.2995 109 K 3.7864 7.9291 118.8061 59.4082 31.8611 179.5372 110 V 3.1576 6.9970 118.5238 65.5197 31.1769 178.2695 111 V 3.0922 7.1386 117.7490 65.8494 31.2971 177.8275 112 A 3.8470 7.8522 120.3883 55.0832 17.6050 179.5204 113 A 3.8407 7.7084 119.2494 55.4291 18.4945 179.8102 114 M 3.7994 7.7899 117.3821 58.4225 31.8861 179.2082 115 K 4.7196 8.5920 120.0584 58.9462 31.9794 179.2863 116 A 4.0831 7.9113 120.2395 54.6568 18.3493 178.5955 117 E 4.3264 7.5170 113.9294 56.2825 30.0200 177.1526 118 G 4.0635 7.8082 106.6427 44.8666 0.0000 174.2985 119 F 4.5890 8.4685 119.3493 57.4827 40.3045 175.0544 120 K 4.9867 9.3066 121.8953 55.1921 34.6632 175.2051 121 W 5.0465 8.5789 131.4993 55.5157 33.2273 176.6840 122 G 2.0000 8.2042 115.5240 46.4966 0.0000 175.4716 123 G 2.0000 5.3800 107.3768 46.3319 0.0000 174.0149 124 D 4.5362 6.6109 118.3470 54.2225 40.6202 177.1003 125 W 4.6359 7.1963 119.8883 56.6709 29.6120 177.3180 126 K 4.2532 8.7110 120.9282 58.9847 31.8300 177.0656 127 S 4.4649 7.4647 108.4087 57.0396 66.2722 173.0798 128 F 3.6989 8.0103 116.6461 58.0501 36.2610 176.5030 129 K 4.0128 7.7406 117.5060 56.9189 32.9239 177.4387 130 D 4.4304 7.6516 120.8131 52.4142 41.6319 175.4821 131 Y 4.0735 8.0739 123.0076 60.0208 38.4923 175.9112 132 P 5.1035 0.0000 0.0000 65.0944 32.7676 175.8075 133 H 5.4101 7.9896 120.3177 54.4852 31.3331 174.1355 134 F 5.5626 9.3874 123.9236 55.7133 43.3196 173.6807 135 E 5.4219 9.4937 119.2239 54.8330 32.3820 176.5173 136 L 3.7439 9.3822 123.8257 57.6795 42.2095 176.7144 137 C 4.6316 7.8013 110.5994 57.5655 32.3991 173.9053 138 D 4.6643 9.3384 121.7084 52.4312 39.3142 176.4346 139 A 3.9950 8.0965 126.6770 54.5812 19.1578 180.2467 140 V 3.4061 8.1312 115.0665 66.2714 31.4587 177.2173 141 S 4.2179 7.7954 112.6618 59.1238 62.8595 174.8747 142 G 4.0069 8.1032 109.5032 45.0217 0.0000 173.9409 143 E 4.0858 7.6514 119.0209 55.5586 29.9962 177.1846 144 K 4.0432 8.3238 122.2722 56.3256 32.7383 176.9725 145 I 3.8309 8.0087 124.5509 60.2993 37.7056 174.3434 146 P 4.2963 0.0000 0.0000 62.1501 31.9443 176.1019 147 A 4.1198 8.3337 123.9645 51.8701 19.7175 177.5255 148 A 4.1449 8.4740 121.3557 52.7473 18.8050 177.0211 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 0 A 8.26 4.27 1.25 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 1 M 7.76 3.83 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 2 A 8.88 4.56 1.18 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 0.00 0.00 3 L 7.57 3.50 0.00 0.85 1.08 0.20 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.06 4.27 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 1.18 0.00 0.00 5 E 8.83 3.98 0.00 2.11 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 2.43 2.45 0.00 6 A 8.08 4.02 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 7 W 8.45 3.96 0.00 3.38 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 8 L 8.34 4.25 0.00 2.09 1.90 1.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.15 3.73 1.90 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 1.66 0.99 0.92 0.00 0.00 10 E 8.11 3.87 0.00 1.97 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 2.24 2.40 0.00 11 K 7.73 3.84 0.00 1.75 1.79 0.00 1.47 0.00 0.00 1.21 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.21 7.81 12 A 8.15 4.06 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 13 N 8.59 4.46 0.00 2.90 2.87 0.00 0.00 7.01 7.23 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 14 R 7.58 3.90 0.00 1.94 2.00 0.00 3.10 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 15 K 7.87 4.34 0.00 1.94 1.91 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.52 1.63 7.81 16 L 8.24 4.22 0.00 1.77 1.78 0.95 0.98 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 17 N 7.84 4.67 0.00 2.88 2.84 0.00 0.00 6.93 7.47 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 18 A 7.62 4.05 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 19 G 8.81 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 20 G 7.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 7.45 4.54 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.72 0.00 22 Y 8.47 4.17 0.00 3.12 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.08 3.87 0.00 1.86 1.88 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.55 7.81 24 I 7.95 3.69 1.87 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 1.59 1.16 0.89 0.00 0.00 25 T 8.01 3.99 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 26 S 8.18 4.25 0.00 3.95 3.96 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 27 D 8.62 4.40 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 28 K 8.23 4.07 0.00 2.13 2.15 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.68 1.61 7.81 29 T 8.29 3.73 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 1.12 0.00 0.00 30 R 8.40 3.93 0.00 2.03 2.01 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 31 N 8.42 4.30 0.00 2.97 2.87 0.00 0.00 6.68 8.54 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 32 V 7.69 3.49 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 0.81 0.00 0.00 0.86 0.00 0.00 33 I 7.96 3.68 2.03 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 1.55 0.49 1.00 0.00 0.00 34 K 8.11 4.01 0.00 1.98 1.94 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.60 7.81 35 K 7.94 3.92 0.00 1.77 1.98 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.43 7.81 36 M 8.43 4.10 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 37 A 7.93 4.11 1.51 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 0.00 0.00 0.00 38 K 7.74 4.09 0.00 1.85 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.67 7.81 39 E 7.87 4.54 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 40 G 7.78 3.49 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 0.00 41 I 7.02 3.96 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.88 0.00 0.00 42 Y 8.26 5.04 0.00 3.14 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 43 L 8.75 5.11 0.00 1.59 1.63 0.78 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.70 4.69 0.00 1.39 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 0.00 0.00 0.00 0.00 45 V 8.46 4.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.96 0.00 0.00 46 A 9.13 4.35 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.16 4.53 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 48 G 9.06 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 0.00 0.00 0.00 0.00 49 Y 9.36 4.64 0.00 3.00 2.93 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 50 R 7.62 4.80 0.00 1.80 1.49 0.00 3.33 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 51 S 9.23 4.70 0.00 3.95 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 52 T 8.53 3.73 4.18 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 1.11 0.00 0.00 53 A 7.86 3.94 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 54 E 8.13 3.91 0.00 2.17 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 2.33 2.31 0.00 55 Q 8.36 3.95 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 56 N 8.45 4.32 0.00 2.90 2.86 0.00 0.00 6.96 8.97 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 57 A 7.74 4.06 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 58 L 8.06 4.08 0.00 1.98 1.76 0.96 0.55 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 59 Y 8.13 3.98 0.00 3.14 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 60 A 8.16 4.20 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 61 Q 7.35 3.94 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.59 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 62 G 8.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.37 4.36 0.00 1.84 1.81 0.00 2.21 0.00 0.00 2.80 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.22 0.00 64 T 8.15 4.56 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 1.22 0.00 0.00 65 K 7.43 4.55 0.00 1.90 1.89 0.00 1.51 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 66 P 0.00 4.46 0.00 2.05 2.02 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 67 G 8.37 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 68 A 7.98 4.13 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 69 I 8.14 3.84 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.85 0.00 0.00 70 V 8.22 4.35 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 0.78 0.00 0.00 0.91 0.00 0.00 71 T 7.50 4.67 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 1.34 0.00 0.00 72 N 8.76 4.87 0.00 2.62 2.69 0.00 0.00 6.76 7.35 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 73 A 7.95 4.61 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 74 K 8.56 3.92 0.00 1.60 1.56 0.00 1.40 0.00 0.00 1.31 0.00 0.00 2.48 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.48 7.81 75 G 8.83 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 76 G 9.44 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 0.00 0.00 0.00 77 Q 8.00 4.57 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 78 S 7.83 4.88 0.00 3.87 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.87 4.79 0.00 3.01 3.04 0.00 0.00 7.14 8.16 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 80 H 8.47 4.33 0.00 3.22 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 7.95 4.60 0.00 2.23 2.38 0.00 0.00 6.78 6.97 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 82 Y 7.95 4.81 0.00 3.22 3.08 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 0.00 0.00 0.00 0.00 83 G 8.67 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 4.86 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 1.22 0.00 0.00 85 A 8.26 5.48 1.09 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 0.00 0.00 86 V 8.97 4.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.87 0.00 0.00 87 D 9.38 5.65 0.00 2.90 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 88 L 9.33 5.21 0.00 2.09 1.88 0.46 1.22 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 89 C 8.73 4.32 0.00 1.99 1.66 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 90 L 7.84 5.18 0.00 1.60 1.61 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.77 5.09 0.00 3.02 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 92 T 8.73 4.31 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 1.29 0.00 0.00 93 N 8.90 4.27 0.00 2.70 2.86 0.00 0.00 6.83 8.06 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 94 D 7.97 4.33 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 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 96 K 8.07 4.31 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.51 7.81 97 D 7.86 4.86 0.00 2.78 2.52 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 98 V 8.27 4.98 1.54 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 0.51 0.00 0.00 0.80 0.00 0.00 99 I 8.23 4.51 1.76 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 1.21 0.87 0.86 0.00 0.00 100 W 8.85 4.68 0.00 3.02 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 0.00 101 E 8.04 4.63 0.00 1.60 1.73 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 2.12 2.11 0.00 102 S 8.57 4.55 0.00 2.72 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.60 4.83 4.31 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 1.23 0.00 0.00 104 T 7.86 4.19 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 1.22 0.00 0.00 105 S 8.63 4.11 0.00 4.07 4.19 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 0.00 106 R 7.97 3.89 0.00 1.92 2.02 0.00 3.28 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 107 W 8.64 4.34 0.00 3.42 3.11 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 0.00 108 K 8.36 3.67 0.00 1.98 1.77 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.67 7.81 109 K 7.93 3.79 0.00 1.92 1.73 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.55 7.81 110 V 7.00 3.16 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 0.00 0.00 0.08 0.00 0.00 0.66 0.00 0.00 111 V 7.14 3.09 1.51 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 0.37 0.00 0.00 -0.82 0.00 0.00 112 A 7.85 3.85 1.25 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 0.00 113 A 7.71 3.84 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 0.00 114 M 7.79 3.80 0.00 1.28 1.57 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.92 0.00 115 K 8.59 4.72 0.00 1.93 1.91 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.77 1.56 7.81 116 A 7.91 4.08 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 0.00 117 E 7.52 4.33 0.00 2.38 2.13 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 2.45 2.52 0.00 118 G 7.81 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.47 4.59 0.00 3.14 3.22 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 0.00 120 K 9.31 4.99 0.00 1.91 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.50 7.81 121 W 8.58 5.05 0.00 3.32 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 0.00 122 G 8.20 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 0.00 0.00 0.00 0.00 0.00 0.00 123 G 5.38 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 0.00 0.00 0.00 0.00 0.00 0.00 124 D 6.61 4.54 0.00 2.79 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 0.00 125 W 7.20 4.64 0.00 3.33 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 4.25 0.00 1.78 1.89 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 127 S 7.46 4.46 0.00 3.67 3.75 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 0.00 128 F 8.01 3.70 0.00 3.14 3.11 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 0.00 129 K 7.74 4.01 0.00 1.20 0.74 0.00 1.60 0.00 0.00 1.39 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.18 1.29 7.81 130 D 7.65 4.43 0.00 2.66 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 0.00 0.00 0.00 131 Y 8.07 4.07 0.00 3.11 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 0.00 132 P 0.00 5.10 0.00 2.37 2.78 0.00 3.88 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 133 H 7.99 5.41 0.00 3.56 3.05 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 9.39 5.56 0.00 2.84 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.49 5.42 0.00 2.30 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 0.00 2.49 2.50 0.00 136 L 9.38 3.74 0.00 1.49 1.58 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 137 C 7.80 4.63 0.00 3.16 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 0.00 138 D 9.34 4.66 0.00 2.73 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 0.00 139 A 8.10 3.99 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.13 3.41 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 0.85 0.00 0.00 1.26 0.00 0.00 141 S 7.80 4.22 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.10 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 0.00 143 E 7.65 4.09 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 144 K 8.32 4.04 0.00 1.70 1.69 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.42 7.81 145 I 8.01 3.83 1.62 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.35 0.31 0.00 0.00 146 P 0.00 4.30 0.00 1.94 1.89 0.00 3.49 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 147 A 8.33 4.12 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 0.00 148 A 8.47 4.14 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