NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4154 8.1927 115.2903 58.5352 64.7274 175.6924 4 S 4.1290 7.9293 114.1004 60.8827 62.2274 174.5706 5 I 3.7149 8.4472 123.3407 64.5024 37.3294 177.9732 6 R 3.9216 7.9699 118.3918 59.3517 29.9205 178.8268 7 E 4.0004 8.3571 118.4134 59.3406 29.3510 179.0382 8 E 3.9680 8.0698 119.1781 58.9464 29.6732 178.8939 9 V 3.5272 8.0397 118.8113 66.5686 31.5504 177.8947 10 H 4.2921 8.3310 115.8758 58.7819 28.4111 178.1167 11 R 3.9723 8.2116 120.1787 59.2626 29.8739 178.5125 12 H 4.0716 8.6080 118.4808 59.3956 29.7240 177.3492 13 L 4.1620 8.0026 119.4445 57.6415 41.1436 179.3895 14 G 3.7729 7.8754 105.3450 47.6434 0.0000 176.1944 15 T 3.9207 8.1148 118.1894 66.5198 68.5513 177.2388 16 V 3.5471 7.8550 113.9668 64.1838 31.4205 178.4121 17 A 4.0426 7.7034 119.9445 55.0151 17.9134 179.6138 18 L 4.0464 7.9312 117.0377 57.4689 41.6874 178.4650 19 M 4.4941 7.3982 116.2022 53.7380 32.2407 175.8407 20 Q 3.9481 7.2170 121.2682 55.6816 29.4652 174.8443 21 P 4.3687 0.0000 0.0000 63.1441 32.0165 175.1661 22 A 4.4105 8.0082 121.6016 51.6570 21.7065 176.4005 23 L 4.3404 8.3333 120.1579 53.6384 41.3770 176.2519 24 H 4.4947 8.6048 124.5840 54.5391 29.7451 174.4313 25 Q 4.4072 8.1841 129.4047 54.0212 28.9373 175.0014 26 Q 4.0564 8.4807 125.1902 55.8672 29.4485 176.0008 27 T 4.4971 8.1923 112.1646 60.4796 70.8507 174.8145 28 H 4.7477 8.2213 122.0928 55.0133 29.4742 173.7131 29 A 3.6632 7.8687 124.1379 52.3778 15.9093 175.3791 30 P 4.4136 0.0000 0.0000 61.4053 32.8607 177.2507 31 A 4.2518 8.2338 121.8799 51.2932 19.2940 176.8990 32 P 4.2706 0.0000 0.0000 65.9614 31.4605 178.9160 33 T 4.0856 7.9048 106.0145 63.4120 68.7619 174.4100 34 E 4.3718 8.2225 121.0880 56.2595 29.9891 175.6868 35 I 4.3403 7.5006 121.3632 59.8392 37.5789 176.3296 36 T 4.3630 8.1992 116.7718 60.9736 71.2288 174.8113 37 H 4.1686 8.6934 120.0282 59.7322 29.8094 177.1752 38 T 3.8238 7.9045 117.0406 66.6961 68.3691 176.4836 39 L 3.9440 7.8466 120.6939 57.4235 41.6316 179.1980 40 F 4.0494 8.5486 120.8953 61.5017 39.1706 177.2077 41 R 3.9922 8.1396 116.6220 59.3414 29.5886 178.0266 42 A 4.0450 7.9387 120.6745 55.3827 18.1514 179.2971 43 Y 4.2176 8.2093 114.8443 60.5709 37.9216 177.4507 44 T 4.3854 7.4701 108.8685 60.5139 69.3913 175.0107 45 R 3.9901 6.8902 117.3359 56.4792 30.3036 176.1222 46 V 4.0039 7.9824 118.2830 60.7345 31.8460 174.3733 47 P 4.0535 0.0000 0.0000 65.9861 31.1512 177.4198 48 H 4.4865 6.9856 110.7097 56.7524 28.7655 175.7840 49 D 4.5570 7.7212 121.1694 53.2559 39.3427 175.6843 50 V 4.6175 7.2212 113.8170 59.4397 33.2065 176.2442 51 G 3.8732 8.0066 109.6796 47.4340 0.0000 173.8490 52 G 4.0021 8.9677 113.3550 45.1209 0.0000 173.5264 53 E 4.0851 8.0650 120.0702 55.7083 30.0924 176.3151 54 A 4.1842 8.3601 126.0592 52.4321 19.0633 176.2225 55 D 4.6773 8.1593 120.0314 53.0467 44.4485 174.7980 56 V 4.1400 7.9257 115.9766 59.4220 33.0182 174.2016 57 P 4.4826 0.0000 0.0000 62.1483 31.9035 176.2551 58 I 4.4053 7.3756 114.4557 58.6526 40.5044 174.7992 59 E 3.9516 8.4614 123.3376 55.5129 28.9905 176.0510 60 Y 4.4190 8.0478 124.8466 58.3201 38.5797 175.4092 61 H 5.0328 8.2981 117.6056 53.7979 31.8186 172.6042 62 E 4.4766 8.4672 119.7231 55.2139 31.0285 175.7209 63 K 4.5841 7.9662 120.0004 54.7053 35.2127 175.7029 64 E 4.0715 8.6323 125.5013 56.2437 30.1045 176.0523 65 E 4.2542 8.3644 122.9887 55.6435 30.7366 176.8035 66 E 4.2261 9.0110 126.1257 55.7567 31.6989 178.1411 67 I 3.7177 8.3679 123.1272 64.4089 37.1941 178.8531 68 W 4.9171 8.2564 118.3263 58.9755 27.9373 178.2748 69 E 2.8987 6.9756 119.1707 58.6731 28.8545 178.6732 70 L 3.8436 7.4507 120.3146 58.2767 42.0885 178.8186 71 N 4.4403 8.2368 116.3863 56.5219 38.3723 177.6119 72 T 4.0124 8.2558 117.4322 66.5664 68.6055 176.3704 73 F 4.2295 8.2767 122.6141 61.3824 39.3906 176.9215 74 A 3.9248 8.1684 120.2277 55.4915 18.0895 179.6609 75 T 3.8858 8.2122 114.2605 67.1442 68.4276 176.6642 76 C 4.6109 8.5872 118.7568 63.0846 28.1693 176.0996 77 E 4.0932 8.3759 120.2635 59.5172 28.9459 179.1517 78 C 4.5029 8.7653 117.3635 62.8823 28.1031 176.0907 79 L 3.8865 8.4759 120.7131 57.5655 41.1001 179.5236 80 A 5.1513 8.1577 122.2242 54.4690 18.2478 179.1666 81 W 4.4679 8.7107 126.2048 60.7767 30.7212 177.4665 82 R 4.3965 8.0660 115.3164 55.7032 29.7636 177.1823 83 G 3.9917 8.0566 105.7312 46.1822 0.0000 175.7129 84 V 3.6746 8.1124 121.7392 65.0483 31.8036 175.5788 85 W 4.9839 7.8716 114.8605 55.1122 30.4195 172.7732 86 T 4.8229 8.7229 109.5173 59.7573 71.7279 175.2070 87 A 3.5973 8.2539 123.0972 55.3096 18.2880 179.9060 88 E 3.8216 7.9459 116.6090 59.5101 29.5595 179.2232 89 E 3.9168 7.7839 118.6993 59.1421 29.4664 179.3034 90 R 3.0392 7.1264 118.6494 59.1426 29.9587 178.6356 91 R 3.5952 7.7698 118.1114 59.1857 29.9813 178.9276 92 R 3.7446 7.7272 118.2291 59.4912 29.7942 178.7780 93 K 4.2281 7.8603 119.5316 58.8536 31.5375 179.2702 94 Q 4.2293 8.5965 121.5290 57.9199 27.6079 176.8345 95 N 5.0375 8.6245 115.3640 53.2854 39.3036 175.2538 96 C 4.1601 7.4763 115.8467 61.3625 30.3350 176.0467 97 D 4.4314 8.2248 119.1385 57.1913 40.5205 179.3207 98 V 3.6348 7.0971 111.6252 62.3706 31.8808 177.4101 99 G 4.1368 8.1177 105.3298 45.8085 0.0000 174.0423 100 Q 4.0432 8.8298 121.0019 59.6304 28.8825 179.4166 101 T 3.8857 7.9244 115.7323 66.9187 68.6221 176.7444 102 V 3.6821 7.8165 119.5240 65.8899 31.5194 176.9880 103 Y 4.2020 8.3807 119.7338 60.3280 38.4070 177.5522 104 L 4.5191 7.7417 116.5486 55.0052 42.9462 178.3708 105 G 3.8121 8.1663 105.3625 45.8661 0.0000 173.9320 106 M 4.5977 7.2123 119.2382 52.8509 34.1130 174.1441 107 P 4.5583 0.0000 0.0000 62.3652 32.1461 176.5070 108 Y 4.1848 8.7518 120.8953 62.1377 38.5176 178.4650 109 Y 4.5583 8.2977 116.3434 60.1058 38.0963 178.3564 110 G 3.9313 8.5451 107.7948 47.9449 0.0000 176.1447 111 R 4.0986 8.1605 120.5441 58.6731 30.0642 179.1050 112 W 4.4086 8.3918 119.7863 59.1479 29.1716 178.1301 113 L 4.1847 8.6299 120.1898 58.3784 41.6388 178.8301 114 L 4.0709 8.3075 119.0639 58.4125 41.5623 179.7994 115 T 4.0792 8.2828 115.2989 66.2756 67.8728 176.8706 116 A 3.9598 8.2845 122.9174 55.0786 18.1003 179.5523 117 A 3.9830 8.1411 119.4123 55.0933 18.4439 179.8169 118 R 3.8530 8.1134 117.3680 59.6889 30.2297 178.6138 119 I 3.7797 7.9403 118.5349 63.9898 37.7903 177.7447 120 L 4.0897 7.4670 118.8593 57.7085 41.4256 179.7180 121 V 3.9147 7.4103 119.0038 65.4223 31.3809 177.8233 122 D 4.3985 8.4178 117.6809 56.8969 40.6801 177.9886 123 K 4.2168 7.8261 116.1179 55.1963 32.2510 176.4850 124 Q 3.4618 7.6718 116.5822 56.9800 26.7148 175.1896 125 F 4.4404 8.0536 118.5636 59.6564 39.4029 176.6017 126 V 4.6842 7.3683 112.5333 58.8133 35.6572 174.7486 127 T 4.2337 8.9485 114.1024 60.9295 71.2149 175.9150 128 L 3.9050 8.2824 122.9994 58.4242 41.9809 179.3608 129 T 3.8433 7.7757 115.4523 66.6600 68.4858 176.1958 130 E 3.9596 8.2211 120.5099 59.1562 29.4530 179.2804 131 L 3.9367 7.8954 120.3618 58.5482 42.2299 178.6653 132 H 4.2674 8.5091 116.5737 59.1543 28.5596 177.6270 133 N 4.4037 8.6077 118.6118 56.0289 38.2589 177.4731 134 K 3.9483 8.2088 121.2367 59.4465 32.2893 179.0073 135 I 3.6912 7.8862 120.2080 64.2359 37.0226 178.5297 136 V 3.5596 7.7658 119.1113 65.9306 31.2962 177.5980 137 E 3.9193 8.3711 119.1530 59.5780 29.4572 178.5995 138 M 4.0364 8.3389 118.9520 58.6391 32.0191 179.0002 139 R 3.9159 8.0646 118.0042 59.3233 30.2011 179.0264 140 E 3.9818 8.2732 118.4116 59.1820 29.1941 179.2996 141 R 3.8658 7.8957 118.0820 59.4268 30.3441 178.4615 142 V 3.7170 7.9328 117.6781 66.1179 31.3853 177.9237 143 A 4.0455 8.1940 119.6066 54.9029 18.2392 179.2902 144 S 4.2971 8.0925 111.9389 59.7373 63.3766 175.4868 145 G 3.9737 7.8221 110.5399 45.2651 0.0000 173.8267 146 Q 4.0931 7.5829 115.1579 56.0162 29.0453 176.9778 147 G 4.0286 8.8848 103.7501 45.8214 0.0000 173.7570 148 L 4.5877 8.7179 120.3497 53.9922 43.3302 177.2702 149 G 3.7103 8.2465 119.2221 46.4377 0.0000 172.7089 150 E 4.0324 8.4041 120.7213 57.1537 30.3978 177.3349 151 Y 4.4352 7.8696 118.6943 60.3775 38.6873 175.5387 152 L 4.7219 7.5762 122.2500 53.0491 45.2238 173.1011 153 P 4.7008 0.0000 0.0000 61.5048 32.2589 174.4638 154 P 4.5058 0.0000 0.0000 63.2355 31.1946 176.1956 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 3 S 8.19 4.42 0.00 3.87 3.92 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 0.00 0.00 0.00 0.00 4 S 7.93 4.13 0.00 4.01 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 5 I 8.45 3.71 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.35 0.89 0.00 0.00 6 R 7.97 3.92 0.00 1.97 2.02 0.00 3.27 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 7 E 8.36 4.00 0.00 2.19 2.01 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 2.35 2.68 0.00 8 E 8.07 3.97 0.00 2.20 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 0.00 2.31 2.32 0.00 9 V 8.04 3.53 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 0.90 0.00 0.00 10 H 8.33 4.29 0.00 3.22 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.21 3.97 0.00 2.11 1.99 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 12 H 8.61 4.07 0.00 3.25 3.50 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.00 4.16 0.00 1.85 1.75 0.95 0.86 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 14 G 7.88 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 15 T 8.11 3.92 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 1.18 0.00 0.00 16 V 7.85 3.55 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 0.72 0.00 0.00 0.96 0.00 0.00 17 A 7.70 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.93 4.05 0.00 1.70 1.74 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 M 7.40 4.49 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 20 Q 7.22 3.95 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.37 0.00 2.08 1.97 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 22 A 8.01 4.41 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 23 L 8.33 4.34 0.00 1.65 1.67 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.60 4.49 0.00 3.10 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.18 4.41 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 26 Q 8.48 4.06 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 27 T 8.19 4.50 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 1.27 0.00 0.00 28 H 8.22 4.75 0.00 3.13 3.22 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.87 3.66 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 30 P 0.00 4.41 0.00 2.20 2.08 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 31 A 8.23 4.25 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 32 P 0.00 4.27 0.00 2.21 2.16 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 33 T 7.90 4.09 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 1.22 0.00 0.00 34 E 8.22 4.37 0.00 2.14 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 2.29 2.42 0.00 35 I 7.50 4.34 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.89 1.15 0.00 0.00 36 T 8.20 4.36 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 1.25 0.00 0.00 37 H 8.69 4.17 0.00 3.26 3.38 0.00 5.87 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 38 T 7.90 3.82 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 1.19 0.00 0.00 39 L 7.85 3.94 0.00 1.92 1.90 1.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.55 4.05 0.00 3.32 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.14 3.99 0.00 1.83 2.05 0.00 3.35 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 42 A 7.94 4.04 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 43 Y 8.21 4.22 0.00 2.87 2.81 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 44 T 7.47 4.39 4.12 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 0.00 0.00 0.00 0.55 0.00 0.00 45 R 6.89 3.99 0.00 1.94 2.14 0.00 3.06 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.51 0.00 46 V 7.98 4.00 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 0.78 0.00 0.00 0.89 0.00 0.00 47 P 0.00 4.05 0.00 1.59 1.77 0.00 3.49 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 48 H 6.99 4.49 0.00 3.32 3.38 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.72 4.56 0.00 2.69 2.72 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 50 V 7.22 4.62 2.15 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 1.17 0.00 0.00 1.00 0.00 0.00 51 G 8.01 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 0.00 0.00 0.00 52 G 8.97 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 0.00 0.00 0.00 53 E 8.06 4.09 0.00 2.15 1.89 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 2.34 2.38 0.00 54 A 8.36 4.18 1.24 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 0.00 0.00 55 D 8.16 4.68 0.00 2.62 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 56 V 7.93 4.14 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 0.77 0.00 0.00 0.91 0.00 0.00 57 P 0.00 4.48 0.00 1.97 1.90 0.00 3.58 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 1.99 2.03 0.00 58 I 7.38 4.41 1.74 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.03 0.84 0.00 0.00 59 E 8.46 3.95 0.00 1.87 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 2.28 2.30 0.00 60 Y 8.05 4.42 0.00 3.02 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 61 H 8.30 5.03 0.00 3.21 3.25 0.00 5.51 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.47 4.48 0.00 1.97 1.90 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 2.25 2.21 0.00 63 K 7.97 4.58 0.00 1.69 1.58 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.46 7.81 64 E 8.63 4.07 0.00 1.98 1.84 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 2.30 2.29 0.00 65 E 8.36 4.25 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 66 E 9.01 4.23 0.00 1.16 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 2.19 2.30 0.00 67 I 8.37 3.72 2.09 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.77 0.86 0.00 0.00 68 W 8.26 4.92 0.00 3.54 3.31 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 69 E 6.98 2.90 0.00 1.49 1.12 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 0.00 1.47 1.47 0.00 70 L 7.45 3.84 0.00 1.78 1.75 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.24 4.44 0.00 3.12 2.98 0.00 0.00 7.07 6.81 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 72 T 8.26 4.01 4.35 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 1.61 0.00 0.00 73 F 8.28 4.23 0.00 2.76 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 74 A 8.17 3.92 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 75 T 8.21 3.89 4.54 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 1.27 0.00 0.00 76 C 8.59 4.61 0.00 3.54 3.43 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 77 E 8.38 4.09 0.00 1.79 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 1.75 1.80 0.00 78 C 8.77 4.50 0.00 3.21 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.48 3.89 0.00 1.98 1.31 0.58 0.83 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 80 A 8.16 5.15 1.55 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 0.00 0.00 0.00 81 W 8.71 4.47 0.00 3.31 3.35 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 82 R 8.07 4.40 0.00 1.64 1.72 0.00 3.06 0.00 0.00 2.49 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.36 0.00 83 G 8.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.11 3.67 1.90 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 0.51 0.00 0.00 0.40 0.00 0.00 85 W 7.87 4.98 0.00 3.63 3.17 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 86 T 8.72 4.82 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 87 A 8.25 3.60 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.95 3.82 0.00 1.93 1.95 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 2.35 2.31 0.00 89 E 7.78 3.92 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 90 R 7.13 3.04 0.00 0.67 1.23 0.00 2.58 0.00 0.00 2.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.80 0.00 91 R 7.77 3.60 0.00 1.85 1.86 0.00 3.30 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 92 R 7.73 3.74 0.00 1.78 2.02 0.00 3.33 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 93 K 7.86 4.23 0.00 2.03 1.91 0.00 1.91 0.00 0.00 2.00 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.51 7.81 94 Q 8.60 4.23 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 95 N 8.62 5.04 0.00 2.74 2.90 0.00 0.00 6.80 7.53 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 96 C 7.48 4.16 0.00 3.00 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 97 D 8.22 4.43 0.00 2.91 2.72 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 98 V 7.10 3.63 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 0.81 0.00 0.00 1.10 0.00 0.00 99 G 8.12 4.14 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 0.00 100 Q 8.83 4.04 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 101 T 7.92 3.89 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 1.25 0.00 0.00 102 V 7.82 3.68 2.34 0.00 0.00 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 0.98 0.00 0.00 103 Y 8.38 4.20 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.74 4.52 0.00 1.64 1.69 1.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.17 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 0.00 106 M 7.21 4.60 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 107 P 0.00 4.56 0.00 2.48 2.16 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 108 Y 8.75 4.18 0.00 2.97 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 0.00 109 Y 8.30 4.56 0.00 3.12 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 0.00 110 G 8.55 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 0.00 111 R 8.16 4.10 0.00 2.06 2.06 0.00 3.29 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 112 W 8.39 4.41 0.00 3.84 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.63 4.18 0.00 2.17 2.07 1.06 0.44 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 0.00 114 L 8.31 4.07 0.00 1.83 1.79 0.99 0.72 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 0.00 115 T 8.28 4.08 4.57 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 1.44 0.00 0.00 116 A 8.28 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.14 3.98 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 0.00 118 R 8.11 3.85 0.00 2.13 2.15 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 119 I 7.94 3.78 1.52 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.91 0.03 0.00 0.00 120 L 7.47 4.09 0.00 1.89 1.72 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.41 3.91 2.18 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 1.28 0.00 0.00 0.96 0.00 0.00 122 D 8.42 4.40 0.00 2.71 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 0.00 123 K 7.83 4.22 0.00 1.82 1.39 0.00 2.15 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.49 7.81 124 Q 7.67 3.46 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 125 F 8.05 4.44 0.00 3.14 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 V 7.37 4.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 127 T 8.95 4.23 4.21 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 1.19 0.00 0.00 128 L 8.28 3.90 0.00 1.70 1.61 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.78 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 130 E 8.22 3.96 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 2.32 2.31 0.00 131 L 7.90 3.94 0.00 1.76 1.79 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.51 4.27 0.00 3.38 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.61 4.40 0.00 2.76 2.87 0.00 0.00 6.67 7.95 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 0.00 134 K 8.21 3.95 0.00 1.96 1.98 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.89 3.69 2.03 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 1.39 0.82 0.88 0.00 0.00 136 V 7.77 3.56 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 137 E 8.37 3.92 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 138 M 8.34 4.04 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.86 0.00 139 R 8.06 3.92 0.00 1.99 1.96 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 140 E 8.27 3.98 0.00 2.21 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 2.32 2.48 0.00 141 R 7.90 3.87 0.00 1.99 2.09 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 142 V 7.93 3.72 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 0.95 0.00 0.00 0.96 0.00 0.00 143 A 8.19 4.05 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 0.00 144 S 8.09 4.30 0.00 4.05 4.12 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 0.00 0.00 0.00 0.00 145 G 7.82 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 0.00 146 Q 7.58 4.09 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 147 G 8.88 4.03 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 0.00 0.00 0.00 148 L 8.72 4.59 0.00 1.68 1.62 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.25 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 0.00 150 E 8.40 4.03 0.00 1.92 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 1.68 1.68 0.00 151 Y 7.87 4.44 0.00 3.27 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.58 4.72 0.00 1.84 1.54 0.95 0.89 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 0.00 153 P 0.00 4.70 0.00 2.23 2.04 0.00 3.85 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 2.00 1.96 0.00 154 P 0.00 4.51 0.00 2.20 2.24 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00