NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1752 8.1727 122.0525 56.3183 34.0400 173.9500 2 V 4.5047 8.2710 127.7527 60.9065 31.9964 174.6792 3 F 4.4594 9.9597 128.6884 57.6005 40.2684 174.7244 4 E 4.3866 9.0119 120.3674 55.5418 31.1259 177.1300 5 R 3.4217 8.9840 121.8225 60.5701 30.0153 179.6312 6 C 4.3655 8.0507 115.2539 59.5370 35.4860 175.7057 7 E 3.9018 8.0733 120.8746 59.2397 29.2686 178.4826 8 L 3.6406 8.0447 120.2070 57.7606 42.0785 178.5933 9 A 3.9182 7.8308 120.8089 55.4133 18.3555 179.9162 10 R 3.8991 8.0406 116.4304 59.5033 30.0758 179.4971 11 T 3.8623 7.8157 115.4604 66.6758 68.4993 176.7554 12 L 3.8450 8.0689 121.2265 57.4764 41.5549 179.5033 13 K 3.9022 7.9490 119.5912 59.5572 31.9426 178.9209 14 R 3.9592 7.8741 117.7982 58.8892 29.9831 177.3944 15 L 4.4379 7.4630 116.8271 53.9797 41.6724 176.8631 16 G 3.8625 7.6661 106.3881 46.9646 0.0000 175.2766 17 M 3.9010 7.8776 121.0451 56.2191 32.3904 175.8291 18 D 4.5987 7.9777 118.3606 55.9295 41.1715 176.0289 19 G 3.9745 9.3559 116.3023 45.1345 0.0000 171.7506 20 Y 4.1646 8.0807 121.7774 58.9229 38.9750 175.8581 21 R 3.5578 9.1018 126.5529 57.1528 28.6684 176.5481 22 G 3.8548 8.3165 101.7434 45.0812 0.0000 173.9937 23 I 4.0114 7.8305 122.4258 59.6519 38.1629 176.0108 24 S 4.6350 8.2995 120.6331 57.8594 65.0813 174.8602 25 L 4.1871 8.6766 124.2894 58.5134 41.7588 179.2377 26 A 4.1599 8.1486 120.1814 55.4036 18.3548 179.2597 27 N 4.4092 7.8770 114.1317 56.2311 38.6316 177.7554 28 W 4.2517 8.0344 120.2256 60.0147 29.0935 178.5499 29 M 4.1719 8.6505 119.1880 58.4319 31.4059 177.9143 30 C 3.2524 8.1939 119.0336 59.3051 42.5804 175.6877 31 L 4.0805 8.0594 121.0624 58.6578 40.1125 179.0827 32 A 3.9672 8.2042 121.7989 54.6928 18.3360 179.3303 33 K 2.7865 8.1188 118.0862 59.3438 32.0533 178.9287 34 W 4.4197 7.6831 116.7649 58.7216 29.1768 178.1723 35 E 4.4381 8.5287 119.0352 58.3373 29.4021 177.4140 36 S 4.5267 8.0644 109.7539 56.4886 64.6289 174.8171 37 G 3.4413 8.2089 108.8779 46.7372 0.0000 173.6810 38 Y 3.6962 7.7216 113.7145 58.3208 35.3241 168.1365 39 N 5.3228 7.7594 120.1557 52.1552 39.7053 176.0471 40 T 4.0473 8.9710 116.7920 63.8827 69.1756 175.8614 41 R 4.5194 8.3213 119.7885 55.7149 30.6785 176.1560 42 A 4.2210 7.7271 122.3804 52.6968 19.3391 177.1497 43 T 4.9924 8.4175 118.0618 61.9162 72.8322 173.2487 44 N 4.9753 9.0815 122.6025 51.7418 42.4978 172.5462 45 Y 4.9019 8.7666 125.2041 56.0894 40.8625 174.4428 46 N 4.4753 8.5867 126.0685 51.7173 39.1335 175.1074 47 A 3.7105 8.3582 130.4196 54.9050 18.9890 179.0801 48 G 3.6500 8.1826 104.2284 48.6240 0.0000 174.1190 49 D 4.5612 8.3121 117.2132 51.6511 40.1662 176.2688 50 R 3.7658 7.5758 117.9911 57.5810 28.2274 175.3567 51 S 4.9186 7.6257 110.4676 57.0527 67.5235 174.1222 52 T 5.1054 8.9204 116.4873 61.9566 72.3890 172.6118 53 D 5.4046 9.1894 124.7107 53.0309 43.2922 174.9957 54 Y 4.8344 9.1177 121.2006 57.4302 41.3714 177.5001 55 G 4.3261 9.0919 112.3550 45.5089 0.0000 173.6525 56 I 3.9825 8.2211 116.7927 62.8675 37.9423 177.2100 57 F 4.8227 8.0834 115.8909 56.5197 40.0152 175.1471 58 Q 3.5397 7.8870 119.3520 57.0263 26.6101 174.0139 59 I 4.3797 8.0613 118.8025 60.6396 39.3734 176.9772 60 N 5.5065 9.4312 126.1863 53.1976 39.6722 175.5097 61 S 4.7661 9.2345 120.7601 59.7972 63.3774 175.2091 62 R 3.8466 8.7574 122.3374 58.3866 30.4603 177.5185 63 Y 4.2971 7.8462 115.1090 57.6845 40.2931 176.8590 64 W 4.9380 8.1630 118.8335 57.2825 31.8201 173.8448 65 C 5.6733 8.2760 112.2710 53.5063 43.5372 172.4852 66 N 5.0950 9.3020 119.4639 52.0047 40.4667 174.5596 67 D 4.6574 8.8423 124.3799 52.4442 40.2359 178.3969 68 G 4.0826 8.3512 109.0124 45.9971 0.0000 174.8966 69 K 4.4465 7.9616 116.5298 56.6363 32.4082 175.7664 70 T 4.4750 7.6165 117.3547 61.2515 69.2930 172.2865 71 P 4.3115 0.0000 0.0000 63.9198 31.6759 176.3058 72 G 3.7711 8.8298 109.1399 46.3076 0.0000 173.6105 73 A 4.1033 7.4063 120.7541 51.8679 18.9078 178.5091 74 V 3.9713 8.3081 119.6705 62.0040 34.1081 175.4786 75 N 4.1406 8.0310 116.5478 54.5269 36.7783 174.9287 76 A 4.0653 8.2991 121.1561 54.9738 19.0586 178.3664 77 C 4.6203 8.4587 111.6204 57.0937 40.9061 173.1179 78 H 4.0803 7.9443 116.0545 56.9876 26.5608 174.5583 79 L 4.8616 8.2589 117.0246 52.7561 45.6753 176.3713 80 S 4.7240 8.3917 116.1541 57.7893 63.3443 175.8696 81 C 4.0836 8.6383 125.6021 59.9064 40.8583 176.5368 82 S 3.8821 7.9333 115.2492 61.2272 62.2439 176.2019 83 A 4.0511 8.0635 123.8995 54.3279 18.0705 177.8889 84 L 4.4924 7.5071 115.6791 54.9445 41.6844 177.0987 85 L 4.9473 7.8298 117.1451 54.4930 42.5848 176.8232 86 Q 4.3531 7.7684 117.7553 55.4045 29.5042 175.9642 87 D 4.3803 8.5350 119.8501 57.0528 41.1163 176.5295 88 N 4.6075 8.0406 118.0982 53.0575 38.9037 174.3786 89 I 4.3046 8.4508 119.4789 61.1177 38.0236 177.0439 90 A 3.9418 8.6362 125.5134 56.0697 18.2028 180.3140 91 D 4.3087 8.1022 116.5438 57.2531 40.8599 178.6355 92 A 4.1114 8.0133 121.0044 55.1212 18.3841 179.7521 93 V 3.1706 8.0369 116.5387 66.0494 31.5525 178.0760 94 A 3.8024 7.9378 120.5156 55.3151 18.0561 178.8070 95 C 4.1978 8.3171 116.7318 59.5378 37.9454 175.5720 96 A 3.8772 8.1102 122.8122 55.0873 17.5742 179.8019 97 K 3.8516 7.6966 116.3481 59.2915 32.2950 179.3367 98 R 4.0230 7.6032 118.9274 59.3228 30.1184 178.5071 99 V 2.3133 7.4493 118.1900 65.8993 31.2113 178.3462 100 V 3.8698 7.8109 110.6305 63.5841 31.2247 177.8728 101 R 4.2393 7.7734 116.3454 56.3260 30.5467 176.1260 102 D 4.7195 7.5527 119.6800 52.4817 42.2721 174.9809 103 P 4.1780 0.0000 0.0000 66.2124 31.2032 177.4026 104 Q 4.0058 8.1930 119.0859 56.3272 30.3490 176.7202 105 G 3.7925 8.3050 107.5640 47.2411 0.0000 175.4342 106 I 4.0680 7.9582 120.6593 62.7706 38.0540 177.5995 107 R 4.3384 7.5980 117.2414 58.1500 29.8728 177.3918 108 A 3.9006 7.7032 120.7649 53.4991 18.6923 177.5083 109 W 4.7032 8.1800 116.8617 55.1043 29.4721 176.8706 110 V 3.6834 8.8469 124.1087 66.3583 30.7610 177.6818 111 A 4.1528 8.7382 120.0724 54.6424 18.1495 179.4913 112 W 3.9932 8.4064 127.3453 60.5685 30.5784 178.3769 113 R 3.7586 8.1955 116.3842 59.5238 29.7165 178.4037 114 N 4.4200 7.9763 114.6682 55.4133 38.6793 176.7772 115 R 4.2906 7.9913 116.0070 55.8567 31.6820 175.7613 116 C 4.5863 7.3269 114.1025 57.5718 42.8746 174.6173 117 Q 2.9639 6.8007 119.6703 57.1101 28.9962 175.5393 118 N 4.1594 8.5467 119.5832 53.7527 36.3830 173.9319 119 R 4.5736 7.3191 114.0916 54.4957 33.6287 173.2435 120 D 4.5702 8.6008 122.6774 54.2760 41.8016 176.3312 121 V 4.7739 8.3665 117.5072 61.0077 33.1993 177.3656 122 R 4.0715 8.0407 119.6160 58.9724 30.2908 178.8948 123 Q 3.9918 8.2119 115.8709 59.1678 28.7552 178.1427 124 Y 4.1163 8.2143 115.8254 60.2527 38.0446 177.3598 125 V 4.3066 7.6680 111.1561 60.7456 32.2567 174.9694 126 Q 3.9656 7.8158 122.8762 57.3344 28.9716 176.3682 127 G 3.9772 9.0284 113.3102 45.8769 0.0000 174.3219 128 C 4.4120 7.8729 117.0412 56.9672 40.7236 173.9078 129 G 3.7680 8.2294 106.8087 46.9751 0.0000 173.8846 130 V 4.0115 7.8239 117.6933 61.1109 32.1947 175.9410 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 K 8.17 4.18 0.00 1.82 1.69 0.00 1.26 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.13 7.81 2 V 8.27 4.50 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 0.91 0.00 0.00 0.96 0.00 0.00 3 F 9.96 4.46 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.01 4.39 0.00 1.92 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 2.28 2.39 0.00 5 R 8.98 3.42 0.00 1.97 1.95 0.00 3.42 0.00 0.00 3.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 6 C 8.05 4.37 0.00 3.00 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 7 E 8.07 3.90 0.00 2.06 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 0.00 2.53 2.40 0.00 8 L 8.04 3.64 0.00 1.35 1.34 -0.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.83 3.92 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 10 R 8.04 3.90 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 11 T 7.82 3.86 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 12 L 8.07 3.85 0.00 1.57 1.54 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.95 3.90 0.00 1.94 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 R 7.87 3.96 0.00 2.10 1.91 0.00 3.29 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.46 4.44 0.00 1.54 1.52 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.67 3.86 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 0.00 0.00 0.00 17 M 7.88 3.90 0.00 1.17 1.88 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 18 D 7.98 4.60 0.00 2.66 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 19 G 9.36 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 20 Y 8.08 4.16 0.00 3.30 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 21 R 9.10 3.56 0.00 1.55 1.81 0.00 3.27 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 22 G 8.32 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 23 I 7.83 4.01 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.63 -0.18 0.00 0.00 24 S 8.30 4.64 0.00 4.10 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 25 L 8.68 4.19 0.00 2.16 1.80 0.96 1.14 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 26 A 8.15 4.16 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 27 N 7.88 4.41 0.00 2.79 2.65 0.00 0.00 7.00 7.55 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 28 W 8.03 4.25 0.00 3.52 3.06 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 29 M 8.65 4.17 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.90 0.00 30 C 8.19 3.25 0.00 2.48 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 31 L 8.06 4.08 0.00 2.16 2.12 0.61 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.20 3.97 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 33 K 8.12 2.79 0.00 1.73 1.72 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 0.21 7.81 34 W 7.68 4.42 0.00 3.38 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 35 E 8.53 4.44 0.00 2.12 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 0.00 2.67 2.74 0.00 36 S 8.06 4.53 0.00 4.09 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 37 G 8.21 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.72 3.70 0.00 3.19 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 39 N 7.76 5.32 0.00 2.69 2.82 0.00 0.00 6.98 7.20 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 40 T 8.97 4.05 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 1.52 0.00 0.00 41 R 8.32 4.52 0.00 1.94 2.04 0.00 3.19 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 42 A 7.73 4.22 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 43 T 8.42 4.99 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 1.07 0.00 0.00 44 N 9.08 4.98 0.00 2.76 2.69 0.00 0.00 6.26 7.01 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 45 Y 8.77 4.90 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 46 N 8.59 4.48 0.00 2.62 2.73 0.00 0.00 6.78 8.51 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 47 A 8.36 3.71 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 48 G 8.18 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 49 D 8.31 4.56 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.58 3.77 0.00 1.99 2.10 0.00 3.15 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 51 S 7.63 4.92 0.00 3.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.92 5.11 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 0.76 0.00 0.00 53 D 9.19 5.40 0.00 2.64 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 54 Y 9.12 4.83 0.00 3.04 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 55 G 9.09 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 0.00 0.00 0.00 0.00 56 I 8.22 3.98 1.71 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.83 0.25 0.00 0.00 57 F 8.08 4.82 0.00 3.27 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 58 Q 7.89 3.54 0.00 2.56 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 59 I 8.06 4.38 2.12 0.00 0.00 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 1.21 0.97 1.14 0.00 0.00 60 N 9.43 5.51 0.00 3.08 3.05 0.00 0.00 7.45 7.56 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 61 S 9.23 4.77 0.00 4.05 4.37 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 62 R 8.76 3.85 0.00 1.60 1.58 0.00 2.65 0.00 0.00 2.81 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 63 Y 7.85 4.30 0.00 1.70 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.16 4.94 0.00 3.42 3.24 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 65 C 8.28 5.67 0.00 3.09 3.24 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 66 N 9.30 5.09 0.00 2.79 2.70 0.00 0.00 7.10 8.45 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 67 D 8.84 4.66 0.00 2.97 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 68 G 8.35 4.08 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 0.00 69 K 7.96 4.45 0.00 1.89 1.89 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.44 7.81 70 T 7.62 4.47 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 71 P 0.00 4.31 0.00 2.15 2.06 0.00 4.09 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 72 G 8.83 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 0.00 0.00 0.00 73 A 7.41 4.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.31 3.97 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 0.72 0.00 0.00 0.87 0.00 0.00 75 N 8.03 4.14 0.00 2.95 2.73 0.00 0.00 7.12 8.10 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 76 A 8.30 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.46 4.62 0.00 3.42 3.24 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 78 H 7.94 4.08 0.00 3.36 3.39 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.26 4.86 0.00 1.70 1.52 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.39 4.72 0.00 3.83 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 81 C 8.64 4.08 0.00 2.35 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 0.00 0.00 0.00 0.00 82 S 7.93 3.88 0.00 4.02 4.07 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 83 A 8.06 4.05 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 84 L 7.51 4.49 0.00 1.86 1.83 1.06 0.77 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 85 L 7.83 4.95 0.00 1.78 1.72 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.77 4.35 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 7.10 0.00 0.00 0.00 0.00 0.00 2.62 2.33 0.00 87 D 8.54 4.38 0.00 2.65 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 88 N 8.04 4.61 0.00 2.70 2.77 0.00 0.00 6.96 7.94 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 89 I 8.45 4.30 1.84 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.50 1.05 0.00 0.00 90 A 8.64 3.94 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 91 D 8.10 4.31 0.00 2.72 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 92 A 8.01 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 93 V 8.04 3.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.92 0.00 0.00 94 A 7.94 3.80 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 95 C 8.32 4.20 0.00 3.12 3.24 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 96 A 8.11 3.88 0.60 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 97 K 7.70 3.85 0.00 1.62 1.54 0.00 1.28 0.00 0.00 0.75 0.00 0.00 2.25 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.90 7.81 98 R 7.60 4.02 0.00 1.90 2.04 0.00 3.25 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 1.79 1.72 0.00 99 V 7.45 2.31 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 -0.14 0.00 0.00 -0.45 0.00 0.00 100 V 7.81 3.87 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.37 0.00 0.00 101 R 7.77 4.24 0.00 2.03 2.02 0.00 3.21 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.05 0.00 102 D 7.55 4.72 0.00 3.12 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 0.00 103 P 0.00 4.18 0.00 2.20 2.22 0.00 3.86 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 104 Q 8.19 4.01 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.91 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 105 G 8.31 3.79 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 0.00 0.00 0.00 106 I 7.96 4.07 1.27 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 0.52 0.86 -0.20 0.00 0.00 107 R 7.60 4.34 0.00 2.04 2.03 0.00 3.30 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 108 A 7.70 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.18 4.70 0.00 3.61 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 0.00 110 V 8.85 3.68 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 1.11 0.00 0.00 1.01 0.00 0.00 111 A 8.74 4.15 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.41 3.99 0.00 3.53 3.53 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 0.00 113 R 8.20 3.76 0.00 2.04 2.01 0.00 3.53 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.17 0.00 114 N 7.98 4.42 0.00 2.63 2.78 0.00 0.00 6.94 7.82 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 0.00 115 R 7.99 4.29 0.00 1.48 1.32 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.18 0.00 116 C 7.33 4.59 0.00 1.76 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 0.00 117 Q 6.80 2.96 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 118 N 8.55 4.16 0.00 2.74 2.77 0.00 0.00 6.67 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 0.00 119 R 7.32 4.57 0.00 1.84 1.68 0.00 3.13 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 120 D 8.60 4.57 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 4.77 2.29 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 0.87 0.00 0.00 1.09 0.00 0.00 122 R 8.04 4.07 0.00 1.94 2.05 0.00 3.34 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 123 Q 8.21 3.99 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.89 0.00 0.00 0.00 0.00 0.00 1.59 1.96 0.00 124 Y 8.21 4.12 0.00 3.17 3.20 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 0.00 125 V 7.67 4.31 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 0.83 0.00 0.00 1.06 0.00 0.00 126 Q 7.82 3.97 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 127 G 9.03 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 0.00 0.00 0.00 128 C 7.87 4.41 0.00 2.94 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 0.00 129 G 8.23 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 0.00 0.00 0.00 130 V 7.82 4.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.95 0.00 0.00