NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5739 8.3193 115.4342 58.4523 64.3540 171.9130 3 R 4.2649 7.6077 115.3822 51.5963 32.0186 172.4187 4 P 4.2614 0.0000 0.0000 62.5133 32.7854 177.6445 5 T 3.7574 8.2867 116.8895 64.2933 69.0652 173.9308 6 I 3.8846 8.2101 126.7866 61.3272 38.5829 174.7078 7 I 4.8710 8.0133 127.1532 59.6787 39.2149 174.6033 8 I 4.7353 8.4873 126.4476 59.5118 41.9989 173.9182 9 N 5.1335 8.7101 124.4422 52.2450 38.8865 175.5263 10 D 4.4077 8.9959 120.4889 57.9159 40.8556 179.7650 11 L 4.1051 7.9254 118.4925 58.0811 41.7871 179.1895 12 D 4.5921 8.9700 120.0566 56.5949 40.6979 178.5842 13 A 4.0332 8.1623 121.4337 55.3041 18.4945 179.6087 14 E 3.9225 8.1272 116.6582 59.6365 29.5058 179.7768 15 R 3.9426 8.1557 118.0974 59.4647 30.0471 179.2886 16 I 3.9033 8.4368 120.0411 64.2441 36.8322 177.9219 17 D 4.3539 7.9763 118.3832 57.4497 41.3606 178.1965 18 I 3.9124 7.7764 120.0693 64.0753 37.2488 177.9336 19 L 4.0551 8.1290 121.4020 58.4755 41.7583 179.1893 20 L 4.2888 8.1342 117.0665 57.3899 41.5687 178.8764 21 E 4.2109 7.9690 117.6130 57.3907 29.9132 177.3720 22 Q 4.0326 7.7079 119.4191 55.2936 29.3852 176.0112 23 P 4.2304 0.0000 0.0000 65.2826 31.5029 178.2494 24 A 3.8835 7.7834 121.1160 54.7573 18.6158 177.4276 25 Y 4.8126 7.8223 111.9394 57.6290 38.2324 175.2648 26 A 4.2258 7.7789 124.7063 53.5477 18.6436 178.7407 27 G 3.9337 8.9356 110.6196 45.9773 0.0000 173.6797 28 L 4.3461 7.6851 120.9827 52.9562 43.2421 175.6093 29 P 4.1609 0.0000 0.0000 66.4434 30.9347 178.7927 30 I 3.4702 7.5589 118.6353 63.6214 37.0424 178.1551 31 A 3.8836 7.7522 121.2960 55.2012 18.4029 179.2525 32 D 4.2984 8.2340 117.2542 57.4085 40.8515 178.9151 33 A 4.0694 8.0565 121.2588 55.2284 18.3614 179.7180 34 L 4.0890 8.3608 117.9434 57.8591 41.5232 179.3781 35 N 4.3036 8.2922 116.2663 56.4285 38.3363 177.2617 36 A 4.0435 7.7144 120.3162 55.3127 18.8233 179.2575 37 E 4.0782 8.5205 117.1930 59.5202 29.6494 179.5839 38 L 4.0576 8.4808 119.4838 57.7797 41.4115 179.2218 39 D 4.5643 7.8663 118.4002 56.0228 40.6525 177.2675 40 R 4.5387 7.4182 113.9562 55.4869 29.8487 175.5525 41 A 4.3141 7.5448 119.3832 52.3863 19.7062 177.5972 42 Q 4.3912 9.1218 121.8814 55.1881 30.2994 174.6674 43 M 5.8467 8.6870 125.6980 53.5277 35.2416 174.4306 44 C 4.7598 8.0237 114.2970 57.3407 33.3805 173.3277 45 S 4.6639 9.0767 114.4250 57.0269 63.4299 173.5271 46 P 4.1597 0.0000 0.0000 66.2153 30.4812 178.2425 47 E 3.6488 6.9994 118.2049 58.2263 29.5524 177.5468 48 E 4.4250 7.5607 116.2878 55.2148 29.9447 175.9380 49 M 4.1041 7.1189 120.5771 54.5519 32.6390 174.2907 50 P 4.4086 0.0000 0.0000 63.1587 32.0154 176.9672 51 H 4.4317 8.9161 118.4825 57.5701 29.0092 175.7551 52 D 4.8579 8.0423 118.6291 52.7784 39.6198 174.9300 53 V 4.5553 7.0766 118.4208 61.7524 33.0878 175.6999 54 V 3.8995 8.9887 128.8527 63.1819 32.3728 174.9232 55 T 4.9637 8.3647 117.6852 59.3371 72.4529 173.4526 56 M 4.0371 8.4553 121.2146 57.2610 32.2582 176.5481 57 N 4.5378 9.4010 119.6425 53.9506 36.9275 174.4459 58 S 4.8444 7.8401 114.7373 57.8025 65.2161 172.9920 59 R 5.1231 9.0276 123.5363 54.7649 31.9619 175.2927 60 V 5.0568 9.0435 125.8477 59.8320 35.2758 174.1568 61 K 5.1998 9.2496 125.2314 54.9898 33.9356 175.0505 62 F 5.4389 8.8103 121.6295 55.3739 42.1390 173.0943 63 R 4.9596 9.1196 120.4379 54.5682 32.9497 174.2421 64 N 5.0853 9.2491 125.2749 52.8781 39.7312 175.1120 65 L 4.4157 9.1417 126.1496 55.9130 41.5051 178.1485 66 S 4.5403 8.6492 115.9152 59.6182 63.4946 174.7455 67 D 4.6209 7.7937 114.8382 52.2915 41.0607 176.2533 68 G 3.9717 8.6724 108.7241 45.5081 0.0000 173.9488 69 E 4.0952 8.8989 120.9480 56.4610 30.4746 176.0954 70 V 4.6850 8.1967 123.3346 61.4592 33.8339 174.7666 71 R 4.5655 8.1684 124.1078 54.6664 35.1456 173.8764 72 V 4.8818 8.1456 120.4690 61.3814 33.7665 174.9080 73 R 5.0262 9.1647 125.3058 55.2452 35.3524 173.8286 74 T 4.9798 8.7254 118.5765 61.9704 70.8588 173.6738 75 L 4.6608 8.8017 129.3732 54.8099 43.3485 175.9962 76 V 4.8301 8.6556 118.7976 59.4452 36.4685 174.9092 77 Y 4.3682 8.5381 119.3330 56.8701 38.9089 175.1627 78 P 4.3542 0.0000 0.0000 66.1085 31.2522 178.3984 79 A 4.0219 8.2115 120.4278 54.3699 18.3621 177.6517 80 K 4.2380 8.1558 114.5439 56.4613 32.4672 176.0704 81 M 4.4571 7.7289 118.1850 55.9468 31.1706 175.2863 82 T 4.4769 9.3847 116.2045 61.0224 70.9050 173.7798 83 D 4.5877 8.0471 121.1314 52.2092 42.6889 175.5959 84 S 4.6047 8.7110 122.0727 60.5917 63.2109 175.0371 85 N 4.6632 8.3768 117.8455 54.6961 38.8213 175.4814 86 T 4.7113 7.8082 105.9032 60.7346 71.0368 173.4352 87 Q 5.2458 8.7237 120.4328 53.9904 32.5567 174.8112 88 L 4.7247 8.7015 122.3693 53.4086 45.6950 175.4795 89 S 4.8197 8.7321 121.4366 57.9630 63.2200 175.2790 90 V 3.7011 8.1813 125.5849 64.0776 31.3533 176.9054 91 M 4.0245 7.6663 118.7311 56.0065 32.5068 176.8391 92 A 4.3263 7.6105 121.7232 50.4469 21.0291 176.1621 93 P 4.0542 0.0000 0.0000 66.0120 31.4915 179.4381 94 V 3.6730 7.7808 116.3125 65.7724 31.4673 178.1415 95 G 3.4702 7.9551 104.8882 47.7470 0.0000 175.4590 96 A 4.0710 7.9913 122.1368 54.6946 18.4324 179.3150 97 A 4.3227 8.0632 118.7538 55.4088 18.7865 179.5984 98 L 3.9761 7.9670 117.5834 56.2970 41.6192 177.6333 99 L 3.9196 7.1159 120.3603 56.8492 41.9441 177.4265 100 G 4.0342 9.0561 113.9630 45.0977 0.0000 173.4178 101 L 4.1523 7.5265 119.9107 54.2594 42.7441 176.0322 102 R 4.9651 8.6837 119.4167 53.9948 32.2630 176.4737 103 V 3.7161 8.0216 120.6309 64.8522 31.8313 176.0653 104 G 4.0713 9.0278 115.5025 45.4028 0.0000 173.6630 105 D 4.7083 8.1385 119.2949 54.2330 42.1818 175.7779 106 S 5.2538 8.4537 115.7167 56.9596 66.9541 173.2802 107 I 4.4978 8.6646 121.0414 60.0727 41.6048 173.7122 108 H 5.4627 8.7790 124.8453 53.4794 29.7674 170.5408 109 W 4.9355 9.3305 131.2153 55.8877 32.0505 173.8151 110 E 5.0200 8.9215 127.0286 54.5773 30.5759 175.7051 111 L 4.8877 8.9297 124.1409 51.7494 45.5604 174.7287 112 P 4.1642 0.0000 0.0000 64.2256 31.8060 176.3526 113 G 3.8938 8.8306 108.6796 45.5356 0.0000 174.0673 114 G 3.8162 8.2819 105.5775 45.1707 0.0000 173.2637 115 V 4.4310 7.2552 118.5117 60.6400 34.0432 174.6035 116 A 5.1029 8.2538 128.0717 51.1554 22.1720 175.3486 117 T 4.6391 9.0261 112.8642 60.1417 72.6333 173.0191 118 H 5.2600 8.8346 120.3259 54.2711 32.0765 172.1588 119 L 5.4244 8.8411 122.5988 52.9091 46.7898 175.3254 120 E 5.0113 9.0286 120.8274 54.5046 33.1460 174.5809 121 V 4.2394 8.8197 127.6642 62.7719 31.9952 176.1184 122 L 4.3255 8.9025 128.8364 56.9138 42.7827 177.2836 123 E 4.6872 7.9627 115.8863 54.9837 34.3217 174.4549 124 L 4.7508 8.4457 125.6896 53.6767 41.9475 175.5699 125 E 4.2922 9.0936 127.2612 59.1154 30.1712 177.2688 126 Y 4.8145 7.7440 119.7025 56.3697 42.8411 173.6071 127 Q 4.1991 7.8474 126.6650 52.6333 31.9545 173.2846 128 P 4.0545 0.0000 0.0000 65.3754 31.0676 178.0607 129 E 4.1217 8.1343 117.7604 59.1792 29.2459 179.2449 130 A 3.8253 7.8251 118.7876 54.4177 18.4440 178.5409 131 A 4.3115 7.3919 116.5165 52.0316 19.1468 178.2970 132 G 3.2723 7.7433 105.9015 45.2903 0.0000 174.5618 133 D 4.6006 7.8121 121.9097 53.1975 39.3054 177.1299 134 Y 4.4552 7.3221 115.8797 58.9017 39.1325 176.5228 135 L 3.6930 7.5592 120.8071 55.3707 40.7643 174.0436 136 L 4.2286 7.4445 121.2478 55.3364 42.6579 176.3656 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 2 S 8.32 4.57 0.00 3.97 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 3 R 7.61 4.26 0.00 1.26 0.74 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 4 P 0.00 4.26 0.00 2.09 2.01 0.00 3.54 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 5 T 8.29 3.76 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 1.20 0.00 0.00 6 I 8.21 3.88 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.36 0.86 0.00 0.00 7 I 8.01 4.87 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.15 0.88 0.00 0.00 8 I 8.49 4.74 1.85 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 1.29 1.25 0.90 0.00 0.00 9 N 8.71 5.13 0.00 3.13 2.90 0.00 0.00 6.07 8.07 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 10 D 9.00 4.41 0.00 2.65 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 11 L 7.93 4.11 0.00 1.85 1.73 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.97 4.59 0.00 2.74 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 13 A 8.16 4.03 1.41 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 0.00 0.00 14 E 8.13 3.92 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 15 R 8.16 3.94 0.00 2.10 1.85 0.00 3.05 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 16 I 8.44 3.90 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.06 0.95 0.00 0.00 17 D 7.98 4.35 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.78 3.91 2.05 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 1.42 0.87 0.92 0.00 0.00 19 L 8.13 4.06 0.00 2.01 1.94 1.20 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.13 4.29 0.00 1.70 1.78 1.03 1.23 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 21 E 7.97 4.21 0.00 2.23 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 2.37 2.52 0.00 22 Q 7.71 4.03 0.00 2.05 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 23 P 0.00 4.23 0.00 2.18 2.29 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 24 A 7.78 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.82 4.81 0.00 3.20 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 26 A 7.78 4.23 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 27 G 8.94 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 28 L 7.69 4.35 0.00 1.83 1.58 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.16 0.00 2.10 2.36 0.00 3.65 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 1.99 2.00 0.00 30 I 7.56 3.47 1.71 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.81 0.00 0.00 31 A 7.75 3.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.23 4.30 0.00 2.81 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 33 A 8.06 4.07 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 34 L 8.36 4.09 0.00 1.74 1.76 0.88 0.69 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 35 N 8.29 4.30 0.00 3.03 2.90 0.00 0.00 6.90 7.11 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 36 A 7.71 4.04 1.41 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 0.00 0.00 37 E 8.52 4.08 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 38 L 8.48 4.06 0.00 1.81 1.73 0.95 0.98 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 39 D 7.87 4.56 0.00 2.81 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 40 R 7.42 4.54 0.00 1.88 1.94 0.00 3.04 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 41 A 7.54 4.31 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 42 Q 9.12 4.39 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 43 M 8.69 5.85 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 44 C 8.02 4.76 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.08 4.66 0.00 3.91 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 46 P 0.00 4.16 0.00 1.98 2.31 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 47 E 7.00 3.65 0.00 1.52 1.80 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 2.30 2.39 0.00 48 E 7.56 4.42 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 49 M 7.12 4.10 0.00 1.92 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.63 0.00 50 P 0.00 4.41 0.00 2.21 1.96 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 51 H 8.92 4.43 0.00 3.09 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.04 4.86 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.08 4.56 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 0.77 0.00 0.00 0.91 0.00 0.00 54 V 8.99 3.90 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 55 T 8.36 4.96 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 1.25 0.00 0.00 56 M 8.46 4.04 0.00 1.88 2.22 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 57 N 9.40 4.54 0.00 2.96 3.14 0.00 0.00 7.00 5.99 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 58 S 7.84 4.84 0.00 3.88 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 59 R 9.03 5.12 0.00 1.99 1.92 0.00 3.06 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 60 V 9.04 5.06 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 0.81 0.00 0.00 1.12 0.00 0.00 61 K 9.25 5.20 0.00 1.83 1.74 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.30 7.81 62 F 8.81 5.44 0.00 3.28 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 63 R 9.12 4.96 0.00 1.87 1.82 0.00 3.10 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 64 N 9.25 5.09 0.00 2.83 2.93 0.00 0.00 7.10 6.59 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 65 L 9.14 4.42 0.00 1.70 1.76 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.65 4.54 0.00 4.08 3.94 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 0.00 0.00 0.00 67 D 7.79 4.62 0.00 2.70 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 68 G 8.67 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 69 E 8.90 4.10 0.00 1.91 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 2.44 2.40 0.00 70 V 8.20 4.68 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 0.72 0.00 0.00 0.93 0.00 0.00 71 R 8.17 4.57 0.00 0.86 1.47 0.00 3.06 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.00 72 V 8.15 4.88 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 0.91 0.00 0.00 0.91 0.00 0.00 73 R 9.16 5.03 0.00 2.01 1.86 0.00 3.56 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00 74 T 8.73 4.98 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 1.31 0.00 0.00 75 L 8.80 4.66 0.00 1.72 1.51 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.66 4.83 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 0.86 0.00 0.00 0.95 0.00 0.00 77 Y 8.54 4.37 0.00 3.14 2.92 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 78 P 0.00 4.35 0.00 2.34 2.46 0.00 3.96 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 79 A 8.21 4.02 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 80 K 8.16 4.24 0.00 1.80 2.03 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.40 7.81 81 M 7.73 4.46 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 82 T 9.38 4.48 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 1.23 0.00 0.00 83 D 8.05 4.59 0.00 2.72 2.54 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 84 S 8.71 4.60 0.00 4.04 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 85 N 8.38 4.66 0.00 2.91 2.91 0.00 0.00 6.73 6.82 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 86 T 7.81 4.71 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 1.29 0.00 0.00 87 Q 8.72 5.25 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 88 L 8.70 4.72 0.00 1.74 1.45 0.93 0.80 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 89 S 8.73 4.82 0.00 3.96 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 3.70 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 0.57 0.00 0.00 0.82 0.00 0.00 91 M 7.67 4.02 0.00 1.72 2.03 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.49 0.00 92 A 7.61 4.33 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 93 P 0.00 4.05 0.00 2.11 2.01 0.00 3.56 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 2.05 2.05 0.00 94 V 7.78 3.67 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 0.80 0.00 0.00 0.96 0.00 0.00 95 G 7.96 3.47 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 0.00 96 A 7.99 4.07 1.49 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 97 A 8.06 4.32 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 98 L 7.97 3.98 0.00 1.67 1.55 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.12 3.92 0.00 1.64 1.75 0.84 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 100 G 9.06 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 0.00 101 L 7.53 4.15 0.00 1.75 1.53 0.88 0.73 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 0.00 102 R 8.68 4.97 0.00 1.89 1.95 0.00 3.11 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 103 V 8.02 3.72 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 0.78 0.00 0.00 1.00 0.00 0.00 104 G 9.03 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 0.00 0.00 0.00 105 D 8.14 4.71 0.00 2.65 2.55 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 0.00 106 S 8.45 5.25 0.00 3.71 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.66 4.50 1.76 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.23 0.90 0.00 0.00 108 H 8.78 5.46 0.00 3.09 3.29 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 9.33 4.94 0.00 3.28 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 0.00 110 E 8.92 5.02 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 2.27 2.39 0.00 111 L 8.93 4.89 0.00 1.22 1.29 -0.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.16 0.00 2.15 2.04 0.00 3.66 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 1.94 1.94 0.00 113 G 8.83 3.89 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 0.00 0.00 0.00 114 G 8.28 3.82 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 0.00 115 V 7.26 4.43 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 0.72 0.00 0.00 0.82 0.00 0.00 116 A 8.25 5.10 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 0.00 117 T 9.03 4.64 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 1.19 0.00 0.00 118 H 8.83 5.26 0.00 3.11 3.31 0.00 5.56 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.84 5.42 0.00 1.56 1.58 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.03 5.01 0.00 2.04 1.78 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 2.22 2.24 0.00 121 V 8.82 4.24 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 1.00 0.00 0.00 0.92 0.00 0.00 122 L 8.90 4.33 0.00 1.71 1.71 0.91 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 0.00 123 E 7.96 4.69 0.00 1.90 1.80 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 2.32 2.32 0.00 124 L 8.45 4.75 0.00 1.64 1.60 0.95 0.99 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 0.00 125 E 9.09 4.29 0.00 2.08 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 0.00 2.38 2.31 0.00 126 Y 7.74 4.81 0.00 3.05 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 0.00 127 Q 7.85 4.20 0.00 1.90 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 128 P 0.00 4.05 0.00 2.45 2.38 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 129 E 8.13 4.12 0.00 2.29 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 0.00 2.51 2.54 0.00 130 A 7.83 3.83 1.10 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 0.00 0.00 131 A 7.39 4.31 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 0.00 132 G 7.74 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.81 4.60 0.00 2.88 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 0.00 134 Y 7.32 4.46 0.00 2.97 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 0.00 135 L 7.56 3.69 0.00 1.91 1.72 0.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.44 4.23 0.00 1.74 1.54 1.05 0.94 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