NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.4347 8.3444 121.6534 55.4665 31.1817 175.1252 10 S 4.6384 7.6751 110.4258 57.0540 65.3759 171.6540 11 Q 4.9535 8.3827 120.9887 54.2277 32.1264 173.8145 12 F 5.0278 8.9190 123.8126 55.9146 43.6297 174.4639 13 F 4.6986 9.2926 120.2593 55.6803 41.7236 176.2545 14 I 3.6640 8.6827 118.3707 64.9420 37.0871 177.3537 15 E 4.0506 8.1262 117.9762 59.7164 29.3762 178.5252 16 H 4.8940 8.2042 115.8694 59.0358 28.9354 177.7795 17 I 4.0687 8.0891 121.8434 64.4566 36.7077 178.4931 18 L 4.0675 7.9643 118.9240 57.4633 41.6012 178.8080 19 Q 4.1671 7.9250 116.5014 56.8096 28.6475 176.7941 20 I 3.5137 7.1781 118.3910 62.5314 38.9405 175.9910 21 L 4.1237 7.6956 120.3198 53.9736 41.9911 175.8850 22 P 4.3621 0.0000 0.0000 64.5707 32.0670 176.5197 23 H 4.1800 7.9866 115.8562 56.3580 29.0849 174.1713 24 R 4.7115 8.0376 119.6431 54.4099 34.3945 173.7231 25 Y 4.2556 8.5808 120.1052 57.7614 39.0052 173.9658 26 P 3.8982 0.0000 0.0000 63.2327 31.9759 175.7004 27 M 4.5045 8.8461 116.4875 55.9058 32.9734 175.8588 28 L 4.5233 7.8586 121.6832 54.0674 41.4827 175.7123 29 L 4.7691 9.0809 128.1095 54.2386 42.1846 176.9899 30 V 4.4668 7.6465 117.7252 61.4344 33.8648 174.3388 31 D 4.6346 8.5858 127.1478 56.0646 42.0552 176.9347 32 R 4.3348 7.0428 116.0848 54.8934 33.9720 173.7387 33 I 4.5911 8.4025 126.0003 59.9073 38.7916 176.4361 34 T 4.2864 8.7294 118.5808 63.6018 69.9983 175.1391 35 E 5.4779 7.7598 117.9314 55.7116 32.9310 174.1559 36 L 5.1191 8.3976 122.6459 53.7806 45.6107 175.1918 37 Q 4.6706 9.4006 125.4898 53.6909 31.3120 175.0331 38 A 4.0679 8.8408 126.8588 54.1252 18.6123 176.8389 39 N 4.6434 9.4092 118.9294 54.0707 36.5410 174.1238 40 Q 4.7212 8.0740 115.4381 56.2333 31.3296 175.5381 41 K 5.2738 7.7162 115.1531 56.0805 37.2205 173.8429 42 I 5.0217 8.7622 119.4325 59.8139 42.0926 173.2921 43 V 4.9731 9.0548 128.2796 61.2039 34.4654 174.2546 44 A 5.1556 9.0380 128.3777 51.4727 23.5895 173.5979 45 Y 5.0012 8.5035 115.3733 56.1563 42.1425 173.8217 46 K 4.9484 8.8377 121.2455 54.6443 35.4501 175.1919 47 N 4.8625 9.3662 125.4260 53.3328 39.7060 174.5600 48 I 4.5563 8.5386 123.4549 59.9669 39.2974 174.7239 49 T 4.9550 9.7615 121.9878 59.9299 70.0411 173.8177 50 F 4.0366 8.9700 127.0977 60.9800 39.7702 176.3606 51 N 4.7497 8.1770 120.0591 53.5017 38.2278 174.1123 52 E 4.7844 8.0016 115.9475 53.7222 32.9857 176.8478 53 D 4.3441 8.9217 122.6237 57.5027 41.0094 178.8380 54 V 3.4319 7.6001 119.0281 64.7061 30.7077 178.0087 55 F 4.4248 7.9488 117.7102 59.7494 38.4862 177.1981 56 N 4.6411 8.1208 115.9837 55.1186 38.3272 175.7509 57 G 4.1046 7.5903 106.1346 45.3847 0.0000 173.1767 58 H 3.7812 7.7668 118.1728 53.8798 30.0390 171.5887 59 F 5.1802 9.2313 121.7859 53.9764 43.1747 173.0727 60 P 4.4909 0.0000 0.0000 64.6601 31.2734 177.1647 61 N 4.6330 9.4324 119.0459 53.5777 37.1962 174.8358 62 K 4.5068 8.2695 119.2723 53.2591 32.3381 170.6809 63 P 4.8506 0.0000 0.0000 62.6845 32.1382 175.7237 64 I 4.8916 9.1460 126.3055 59.0838 40.2134 175.5764 65 F 4.1993 9.7013 131.4004 57.4479 40.0205 173.3565 66 P 3.8134 0.0000 0.0000 62.5183 31.8943 177.1935 67 G 3.1413 8.5376 110.0056 48.0674 0.0000 176.0537 68 V 3.7870 7.4966 113.9485 63.9328 31.5730 178.1703 69 L 4.1459 7.6772 118.1904 56.8345 41.4282 179.3289 70 I 4.2375 7.7408 120.5961 64.3606 37.0265 178.4420 71 V 3.7401 7.9777 118.7792 65.9344 31.4019 177.4455 72 E 4.2442 8.4742 119.3521 59.4083 29.5896 179.0926 73 G 3.6346 8.1643 107.0364 47.4401 0.0000 175.6597 74 M 3.6917 7.8456 120.7576 57.7484 31.9714 178.7099 75 A 3.8269 8.1144 121.2480 55.3035 18.5272 179.7114 76 Q 3.9216 8.0922 116.7480 59.0604 28.6484 179.3948 77 S 4.1335 7.6377 115.9452 61.4666 62.7869 176.9266 78 G 3.6651 8.1091 108.6062 47.5831 0.0000 175.8558 79 G 3.5191 8.3779 108.5160 47.5727 0.0000 175.4695 80 F 3.8263 8.2817 123.3260 60.7337 39.4796 176.9646 81 L 3.9397 8.0202 119.7676 57.9625 41.7949 178.7592 82 A 2.0000 7.9186 121.1249 54.3170 18.1233 179.3799 83 F 3.7297 8.0472 119.6754 61.6010 39.5312 177.4529 84 T 4.7516 7.5679 110.1646 64.0503 68.3973 176.7793 85 S 4.1720 7.4758 117.3921 61.3261 62.8645 175.9773 86 L 3.7783 7.0869 121.2378 56.1036 41.4834 178.3369 87 W 4.6040 7.6884 116.8104 57.5416 30.6324 178.0346 88 G 4.3374 8.1153 107.7878 45.9548 0.0000 172.8839 89 F 4.8210 8.7035 119.5117 56.8919 38.1341 174.7001 90 D 4.6683 8.0082 122.9539 50.5763 42.9230 173.1062 91 P 4.2223 0.0000 0.0000 64.8665 31.2858 178.2551 92 E 3.9896 8.0484 115.6525 59.2687 29.1032 179.0907 93 I 3.7008 7.5437 118.7472 64.0090 37.1996 178.0419 94 A 3.5736 7.9060 121.6009 54.9830 17.7738 179.5322 95 K 3.7209 7.6497 118.1187 59.2810 32.5009 177.1270 96 T 4.4999 7.5960 106.2617 61.0694 68.9505 173.2291 97 K 5.1738 7.9656 120.9129 55.3705 34.6076 175.3312 98 I 4.6079 8.9938 115.6983 59.0813 41.6923 173.9722 99 V 4.7795 7.9415 121.2175 61.3014 33.9078 173.9051 100 Y 4.8569 9.1145 125.5443 56.1230 40.6680 174.7310 101 F 4.5199 9.0823 125.8852 58.6943 39.9397 174.1698 102 M 4.7884 9.4564 125.6597 56.9470 33.7908 176.1153 103 T 4.8757 7.8247 106.2815 60.6376 72.7995 172.4613 104 I 5.2783 8.1529 121.8624 60.1491 41.0964 174.2745 105 D 4.6925 9.5874 125.3160 52.1028 46.0568 175.0731 106 K 4.1089 8.2378 116.7199 57.4820 29.6953 175.3415 107 V 4.4343 7.3427 110.5487 60.1607 33.8235 177.1431 108 K 4.4026 8.4501 124.7797 54.8478 35.7703 174.5959 109 F 5.0912 8.8474 126.0093 56.5211 39.7310 175.4490 110 R 4.5455 9.0111 123.2416 57.1815 31.7114 177.3893 111 I 4.6933 7.6278 117.8333 58.3299 40.7985 173.1116 112 P 4.5080 0.0000 0.0000 63.0487 32.1527 175.6171 113 V 4.5904 8.5865 123.0680 61.9664 33.5385 174.5767 114 T 5.1166 8.8423 116.8761 58.7332 72.8293 171.4456 115 P 4.5145 0.0000 0.0000 64.3171 31.5947 176.9357 116 G 4.0602 9.2292 111.4279 45.2973 0.0000 173.7180 117 D 4.5493 7.9473 119.5927 54.0561 42.5039 175.9090 118 R 4.6458 8.2841 122.1938 54.4016 30.9297 174.7148 119 L 4.1195 8.4237 128.9949 54.6256 43.0795 174.8980 120 E 4.7729 9.2621 129.3595 54.9392 31.4215 174.1516 121 Y 5.1546 8.9455 125.7138 57.3824 40.1442 174.4751 122 H 5.0900 9.7762 121.1490 54.2474 31.8856 172.3675 123 L 5.2727 8.8490 123.7079 52.8189 45.0289 175.7755 124 E 5.1360 9.0266 121.7277 54.3153 33.5236 175.3383 125 V 4.1338 9.5409 125.5237 63.2201 31.3104 175.7091 126 L 4.3881 9.0552 129.1791 55.9934 42.8613 177.4015 127 K 4.3597 7.5289 118.2302 56.1209 35.0517 173.1617 128 H 4.9183 8.2668 121.2898 54.0548 31.8349 173.3003 129 K 4.0157 8.7396 122.2597 56.1616 34.8718 176.1690 130 G 3.7810 8.0680 118.3234 47.4667 0.0000 175.0708 131 M 4.3404 8.6961 125.3112 56.1778 32.3576 175.0921 132 I 4.8018 7.8113 121.3345 60.0760 38.3995 174.5862 133 W 4.8529 9.1568 127.8461 54.7904 32.1595 175.3732 134 Q 5.0613 9.4790 123.5944 54.6085 30.5676 175.1246 135 V 4.9757 8.9359 117.9325 59.7906 35.5744 175.2111 136 G 4.3659 8.3261 107.8268 45.1606 0.0000 173.5452 137 G 4.9393 8.3670 108.4710 45.9841 0.0000 171.4412 138 T 5.2789 7.8412 109.9647 60.0571 73.3621 172.6784 139 A 5.3287 9.0315 123.1041 50.3093 21.8162 175.3859 140 Q 5.0937 9.6562 121.7789 53.9952 33.4048 174.9695 141 V 4.4923 8.2785 121.3440 61.0866 34.3684 175.1619 142 D 4.2507 9.4457 129.4976 55.4569 39.1339 174.1289 143 G 3.9211 8.0924 103.8481 45.7762 0.0000 173.0156 144 K 4.5095 7.4504 119.3938 54.0614 34.2085 175.8239 145 V 4.1533 8.3096 122.8334 63.2139 31.6521 175.8922 146 V 4.4187 8.5692 120.3611 61.7021 33.4000 175.4858 147 A 4.9647 7.4558 119.8236 51.1118 22.4865 174.9651 148 E 5.1361 8.6468 119.0483 54.8500 33.7209 174.9202 149 A 4.8366 8.6206 122.3299 51.1324 23.5851 174.8225 150 E 5.1472 8.7650 120.2158 54.4209 33.1316 174.5381 151 L 5.1845 9.2871 125.8036 54.5434 44.8413 174.2896 152 K 5.1285 9.2045 120.7031 54.8041 35.1407 174.8426 153 A 5.2379 9.0957 128.3788 50.2466 23.0844 174.0023 154 M 5.3422 9.5002 119.0999 53.9071 35.3760 174.4987 155 I 4.8259 8.5829 126.4791 60.3688 38.8277 175.0934 156 A 4.8801 8.9962 126.9361 50.2426 23.1359 174.7901 157 E 4.4709 8.8384 121.6150 55.7438 30.5601 176.7749 158 R 3.9287 9.2078 129.6738 57.0488 30.7718 177.4270 *159 E 4.1378 8.7616 118.7932 56.1822 30.4783 172.4777 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 9 Q 8.34 4.43 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 10 S 7.68 4.64 0.00 3.98 3.74 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 11 Q 8.38 4.95 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.51 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 12 F 8.92 5.03 0.00 2.82 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 13 F 9.29 4.70 0.00 3.10 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 14 I 8.68 3.66 1.89 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 1.66 1.25 0.96 0.00 0.00 15 E 8.13 4.05 0.00 1.90 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 2.30 2.47 0.00 16 H 8.20 4.89 0.00 3.71 3.88 0.00 5.64 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 17 I 8.09 4.07 2.07 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.94 0.00 0.00 18 L 7.96 4.07 0.00 1.87 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.93 4.17 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 20 I 7.18 3.51 1.69 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.31 0.03 0.00 0.00 21 L 7.70 4.12 0.00 1.77 1.64 0.98 0.96 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 22 P 0.00 4.36 0.00 2.02 2.23 0.00 3.76 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 1.72 1.83 0.00 23 H 7.99 4.18 0.00 3.10 3.44 0.00 5.86 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 24 R 8.04 4.71 0.00 1.79 1.83 0.00 3.32 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 25 Y 8.58 4.26 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 3.90 0.00 1.65 0.82 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 27 M 8.85 4.50 0.00 1.85 2.03 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 2.47 2.48 0.00 28 L 7.86 4.52 0.00 1.61 1.65 1.03 1.00 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 29 L 9.08 4.77 0.00 1.65 1.81 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.65 4.47 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 0.75 0.00 0.00 0.79 0.00 0.00 31 D 8.59 4.63 0.00 2.42 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 32 R 7.04 4.33 0.00 1.33 0.69 0.00 3.12 0.00 0.00 2.81 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.16 0.00 33 I 8.40 4.59 1.77 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.20 0.91 0.00 0.00 34 T 8.73 4.29 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 1.31 0.00 0.00 35 E 7.76 5.48 0.00 2.04 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 2.28 2.17 0.00 36 L 8.40 5.12 0.00 1.83 1.75 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.40 4.67 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 38 A 8.84 4.07 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 39 N 9.41 4.64 0.00 2.95 3.03 0.00 0.00 6.83 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.07 4.72 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 41 K 7.72 5.27 0.00 1.94 1.92 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 42 I 8.76 5.02 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.37 1.01 0.00 0.00 43 V 9.05 4.97 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 0.76 0.00 0.00 0.88 0.00 0.00 44 A 9.04 5.16 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 45 Y 8.50 5.00 0.00 3.05 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 46 K 8.84 4.95 0.00 2.07 1.59 0.00 1.88 0.00 0.00 1.40 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.45 7.81 47 N 9.37 4.86 0.00 2.71 2.78 0.00 0.00 6.93 7.29 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 48 I 8.54 4.56 2.02 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.93 1.04 0.00 0.00 49 T 9.76 4.96 4.32 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 1.38 0.00 0.00 50 F 8.97 4.04 0.00 2.90 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 51 N 8.18 4.75 0.00 2.82 2.88 0.00 0.00 6.76 7.65 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 52 E 8.00 4.78 0.00 2.13 1.77 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 2.39 2.56 0.00 53 D 8.92 4.34 0.00 2.84 2.63 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 54 V 7.60 3.43 1.74 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 0.07 0.00 0.00 0.47 0.00 0.00 55 F 7.95 4.42 0.00 3.00 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 56 N 8.12 4.64 0.00 2.83 2.89 0.00 0.00 6.70 7.12 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 57 G 7.59 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 7.77 3.78 0.00 2.77 2.77 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.23 5.18 0.00 3.10 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 60 P 0.00 4.49 0.00 2.12 2.10 0.00 3.95 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 61 N 9.43 4.63 0.00 2.95 3.06 0.00 0.00 6.79 7.61 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 62 K 8.27 4.51 0.00 1.77 1.80 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 P 0.00 4.85 0.00 1.83 1.52 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 64 I 9.15 4.89 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.19 1.08 0.00 0.00 65 F 9.70 4.20 0.00 3.17 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 66 P 0.00 3.81 0.00 1.63 1.42 0.00 2.26 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.22 0.00 67 G 8.54 3.14 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 68 V 7.50 3.79 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 0.76 0.00 0.00 0.76 0.00 0.00 69 L 7.68 4.15 0.00 1.08 1.42 0.40 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.74 4.24 2.44 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.05 1.22 0.00 0.00 71 V 7.98 3.74 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.08 0.00 0.00 72 E 8.47 4.24 0.00 2.30 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 0.00 2.33 2.39 0.00 73 G 8.16 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 74 M 7.85 3.69 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.84 0.00 75 A 8.11 3.83 1.07 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 76 Q 8.09 3.92 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 1.84 2.24 0.00 77 S 7.64 4.13 0.00 3.91 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 78 G 8.11 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.38 3.52 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 0.00 0.00 0.00 80 F 8.28 3.83 0.00 3.02 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 81 L 8.02 3.94 0.00 1.85 1.79 1.04 1.39 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 82 A 7.92 2.00 0.20 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 83 F 8.05 3.73 0.00 3.07 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 84 T 7.57 4.75 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 85 S 7.48 4.17 0.00 3.87 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 86 L 7.09 3.78 0.00 1.06 0.13 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.69 4.60 0.00 2.89 2.91 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 88 G 8.12 4.34 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 0.00 89 F 8.70 4.82 0.00 3.16 3.18 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 90 D 8.01 4.67 0.00 2.79 2.62 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 91 P 0.00 4.22 0.00 2.06 1.89 0.00 3.80 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.33 0.00 92 E 8.05 3.99 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 93 I 7.54 3.70 1.84 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.18 -0.23 0.00 0.00 94 A 7.91 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.65 3.72 0.00 1.77 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.34 7.81 96 T 7.60 4.50 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 1.14 0.00 0.00 97 K 7.97 5.17 0.00 1.60 1.79 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.57 7.81 98 I 8.99 4.61 1.52 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 0.77 0.00 0.00 99 V 7.94 4.78 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 0.83 0.00 0.00 0.90 0.00 0.00 100 Y 9.11 4.86 0.00 2.99 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 0.00 101 F 9.08 4.52 0.00 3.17 2.91 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 0.00 102 M 9.46 4.79 0.00 1.97 2.33 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 2.65 2.52 0.00 103 T 7.82 4.88 4.30 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 1.26 0.00 0.00 104 I 8.15 5.28 1.83 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.51 0.93 0.00 0.00 105 D 9.59 4.69 0.00 2.58 2.51 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 0.00 106 K 8.24 4.11 0.00 1.81 1.82 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.45 7.81 107 V 7.34 4.43 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 0.67 0.00 0.00 0.66 0.00 0.00 108 K 8.45 4.40 0.00 1.72 1.50 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.41 7.81 109 F 8.85 5.09 0.00 3.02 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 0.00 110 R 9.01 4.55 0.00 1.85 2.01 0.00 3.12 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 111 I 7.63 4.69 1.93 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 1.51 0.65 0.96 0.00 0.00 112 P 0.00 4.51 0.00 2.16 2.14 0.00 3.81 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 2.05 2.02 0.00 113 V 8.59 4.59 2.33 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 1.07 0.00 0.00 1.07 0.00 0.00 114 T 8.84 5.12 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 1.33 0.00 0.00 115 P 0.00 4.51 0.00 1.99 2.10 0.00 3.51 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.17 0.00 116 G 9.23 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 0.00 117 D 7.95 4.55 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.28 4.65 0.00 1.68 1.71 0.00 2.89 0.00 0.00 2.84 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.38 0.00 119 L 8.42 4.12 0.00 1.65 1.38 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.26 4.77 0.00 1.95 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 2.23 2.36 0.00 121 Y 8.95 5.15 0.00 3.01 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 0.00 122 H 9.78 5.09 0.00 3.01 3.26 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 0.00 123 L 8.85 5.27 0.00 1.60 1.58 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.03 5.14 0.00 1.92 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 2.26 2.27 0.00 125 V 9.54 4.13 2.33 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 0.83 0.00 0.00 1.30 0.00 0.00 126 L 9.06 4.39 0.00 1.64 1.71 0.95 0.90 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 0.00 127 K 7.53 4.36 0.00 1.75 1.55 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.11 1.11 7.81 128 H 8.27 4.92 0.00 1.40 2.06 0.00 5.78 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 0.00 129 K 8.74 4.02 0.00 1.58 1.54 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.27 7.81 130 G 8.07 3.78 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 0.00 0.00 0.00 131 M 8.70 4.34 0.00 2.46 2.21 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 132 I 7.81 4.80 1.95 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 0.67 0.95 0.00 0.00 133 W 9.16 4.85 0.00 3.25 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 0.00 134 Q 9.48 5.06 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 135 V 8.94 4.98 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 0.83 0.00 0.00 0.97 0.00 0.00 136 G 8.33 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 0.00 0.00 0.00 137 G 8.37 4.94 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 0.00 0.00 0.00 138 T 7.84 5.28 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 1.22 0.00 0.00 139 A 9.03 5.33 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 9.66 5.09 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 141 V 8.28 4.49 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 0.92 0.00 0.00 0.92 0.00 0.00 142 D 9.45 4.25 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 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 0.00 0.00 0.00 144 K 7.45 4.51 0.00 1.97 1.70 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 145 V 8.31 4.15 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 0.85 0.00 0.00 0.92 0.00 0.00 146 V 8.57 4.42 2.40 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 0.74 0.00 0.00 1.06 0.00 0.00 147 A 7.46 4.96 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 0.00 148 E 8.65 5.14 0.00 1.82 1.77 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 2.20 2.20 0.00 149 A 8.62 4.84 1.21 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 0.00 0.00 150 E 8.77 5.15 0.00 2.00 1.98 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 2.23 2.26 0.00 151 L 9.29 5.18 0.00 2.20 1.91 0.73 0.52 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 0.00 152 K 9.20 5.13 0.00 1.89 1.74 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.57 7.81 153 A 9.10 5.24 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 9.50 5.34 0.00 2.18 1.97 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 2.57 2.61 0.00 155 I 8.58 4.83 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 1.23 0.72 1.22 0.00 0.00 156 A 9.00 4.88 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 0.00 157 E 8.84 4.47 0.00 2.01 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 2.29 2.40 0.00 158 R 9.21 3.93 0.00 1.73 1.86 0.00 3.19 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 *159 E 8.76 4.14 0.00 1.75 1.79 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 2.18 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.