NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3840 8.3044 120.3257 55.1722 32.4352 174.1561 1 I 3.9738 8.1751 124.8790 59.3720 38.8928 173.4456 2 Q 4.9296 9.3064 127.6182 54.3935 31.9797 174.4826 3 R 4.8394 8.6909 118.6695 54.8580 34.4018 174.5962 4 T 4.7699 8.7017 118.3607 60.7654 70.0643 173.1073 5 P 4.8552 0.0000 0.0000 63.1336 32.3662 175.5120 6 K 4.7589 9.5510 121.7334 54.9845 34.7238 175.4196 7 I 5.1584 8.2536 122.9552 59.8805 41.0744 174.9158 8 Q 4.7872 9.0564 123.2872 54.5294 33.5133 173.8569 9 V 5.0866 8.5208 123.0450 61.4657 34.2392 173.8288 10 Y 5.1799 8.2153 124.4301 56.6958 41.6776 173.2221 11 S 5.6408 8.8902 114.3438 56.6886 64.8163 174.5619 12 R 4.0671 9.0372 121.4583 59.6539 30.0093 176.2779 13 H 5.0150 7.8568 113.3837 52.7846 31.3162 172.6577 14 P 4.3831 0.0000 0.0000 62.4280 31.4600 176.7491 15 A 4.2198 8.8922 126.3784 52.5550 19.1097 176.2720 16 E 4.6053 8.5941 122.3595 53.9460 32.3946 174.3950 17 N 4.5923 8.8595 124.3061 55.0129 38.9322 175.1411 18 G 3.9071 9.5097 111.7102 45.3196 0.0000 172.6789 19 K 4.5592 7.4982 117.5764 53.7130 34.9096 176.3029 20 S 4.0436 8.6803 119.5135 59.6681 63.0804 172.8587 21 N 4.9392 8.2906 123.0986 53.2067 42.7101 172.2403 22 F 5.3387 8.9397 115.7304 55.7550 43.4492 173.8223 23 L 4.3544 8.5758 125.0065 53.3547 43.6283 174.7929 24 N 5.4284 8.9396 124.0845 51.8353 42.1918 173.3215 25 C 5.2530 9.5607 122.2639 54.8137 41.2784 171.0452 26 Y 5.1700 9.1203 127.1197 57.0739 39.8941 173.8627 27 V 4.9918 9.0040 127.1003 61.1909 34.4190 174.4951 28 S 5.1852 9.0633 121.5359 58.1271 66.8975 175.1483 29 G 4.0480 8.6976 107.1359 46.4156 0.0000 173.8481 30 F 4.8754 7.5262 115.1277 55.8713 39.6552 173.9354 31 H 5.0128 8.4768 117.7918 55.1881 33.2714 172.2946 32 P 4.8461 0.0000 0.0000 62.2968 31.8500 176.4855 33 S 3.6340 8.2168 113.4707 61.0296 62.9065 174.5576 34 D 4.4500 7.8671 121.2355 53.9978 40.7197 175.1060 35 I 4.5745 7.9830 123.5102 59.0877 41.7502 173.4793 36 E 4.5400 8.8316 128.1000 54.3170 31.9331 174.8039 37 V 4.4541 7.9764 126.0693 61.2060 34.1033 173.9731 38 D 4.9759 8.8579 127.8662 52.4050 44.5754 175.1145 39 L 4.9154 8.3436 121.7731 53.5164 44.0377 175.2866 40 L 5.1634 8.8006 123.0362 52.7766 44.8828 175.1531 41 K 4.2833 9.1326 125.0368 55.0390 34.3287 175.8333 42 N 4.1463 9.4866 125.4241 54.2899 36.7617 175.4829 43 G 3.8980 8.4749 103.8811 45.3059 0.0000 173.4068 44 E 4.5632 8.4642 121.7735 53.4870 31.5559 175.2048 45 R 4.2568 8.5613 125.7829 57.1093 30.5880 175.4467 46 I 4.4283 7.7886 123.8822 59.9927 38.5611 174.8713 47 E 4.0995 7.9619 121.1698 58.2674 30.2113 176.9666 48 K 3.9765 7.6457 130.4162 56.5032 31.6029 176.9104 49 V 4.4021 7.7595 125.7744 60.2502 34.1418 174.5905 50 E 4.4461 8.1878 127.9505 55.9368 31.7268 175.0199 51 H 5.1504 7.9981 114.8653 54.1196 30.9509 173.6769 52 S 4.3298 8.8095 117.5755 58.7873 63.4929 173.5434 53 D 4.5963 8.3829 119.4516 52.9455 41.6296 176.3820 54 L 4.0056 8.4227 124.5975 56.0910 42.6176 175.9190 55 S 4.6127 8.1901 120.2152 56.7163 66.6753 171.9148 56 F 5.4658 7.5042 115.6802 55.5575 41.2117 174.3447 57 S 4.6407 9.3097 119.4077 57.5711 64.3425 175.9830 *58 K 3.9293 8.6057 122.2426 58.0133 31.0850 174.0996 59 D 4.4386 7.7966 115.2768 52.8598 39.5401 176.9322 60 W 3.5419 8.0798 118.9626 56.9103 27.2959 174.0197 61 S 4.5545 7.5040 113.7263 57.4886 64.5044 173.9204 62 F 4.9360 8.3451 121.4844 57.5008 40.5182 174.0086 63 Y 5.4229 8.1926 116.7294 56.1987 41.5571 173.8387 64 L 5.1885 9.7790 121.4008 53.2527 46.9866 174.6219 65 L 5.4203 10.0129 125.3664 53.7124 44.6228 174.5430 66 Y 5.3139 8.9578 123.3478 56.6606 41.0809 174.4642 67 Y 5.7662 7.7754 119.7432 56.5033 42.6049 173.2221 68 T 4.2490 8.2882 111.1238 61.3400 70.2851 171.6378 69 E 3.7768 8.8212 130.0409 56.5422 30.5916 175.3337 70 F 4.7375 8.4347 119.6885 56.6533 42.0758 172.7057 71 T 4.2446 8.0621 114.5231 60.8068 71.3838 172.7524 72 P 4.8036 0.0000 0.0000 63.1727 32.1422 177.4474 73 T 4.6315 8.9318 109.7330 60.7333 70.7459 173.3773 74 E 4.3817 8.8940 120.4094 55.9233 28.8662 175.6105 75 K 4.2787 7.7916 116.1037 58.4147 32.9346 177.2014 76 D 4.5410 8.4396 118.1365 53.9661 41.5716 175.3912 77 E 4.8764 8.3262 119.5665 55.0172 32.6585 174.6713 78 Y 5.0670 9.0741 121.0713 57.0128 41.3923 173.8595 79 A 4.8166 8.3422 121.0915 51.9555 23.6395 174.1279 80 C 5.1812 9.0980 117.4591 55.0913 48.0011 172.8303 81 R 5.1261 9.1246 126.5698 54.6570 32.2253 174.7958 82 V 4.8841 8.7478 118.8683 59.5990 36.0116 174.1377 83 N 5.2478 8.9906 121.7576 52.5328 42.7011 172.3974 84 H 5.0570 8.2843 122.2609 55.3426 33.4442 174.2429 85 V 3.7499 8.1033 113.0289 63.5989 31.6243 177.5044 86 T 4.3218 8.2123 108.7196 61.8458 69.3370 173.8638 87 L 4.6854 7.3783 122.8265 53.4619 43.2531 176.6888 88 S 4.4978 8.4208 116.0078 58.9162 63.9396 174.2094 89 Q 4.4423 7.8654 115.5628 54.3579 30.5368 171.6456 90 P 4.1990 0.0000 0.0000 62.8804 31.7513 174.7989 91 K 4.4939 8.9244 122.7904 54.9304 34.1493 174.7371 92 I 4.8350 8.4013 128.1714 59.7588 39.0846 174.9179 93 V 4.3741 8.6541 128.4382 60.9611 33.2089 175.4230 94 K 4.5334 8.6985 127.2546 55.9588 33.2453 177.2233 95 W 4.5680 8.8222 133.8759 56.9059 30.2711 175.7210 96 D 4.4055 8.6840 126.9879 53.1094 39.0957 175.8766 97 R 3.0007 7.5849 124.3615 58.8170 30.3684 177.6997 98 D 4.5594 7.3917 119.4000 53.0998 39.4772 176.3032 99 M 4.1297 7.8090 121.4851 55.3860 32.2644 175.6000 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 M 8.30 4.38 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 1 I 8.18 3.97 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 1.42 0.90 0.87 0.00 0.00 2 Q 9.31 4.93 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 3 R 8.69 4.84 0.00 1.81 2.06 0.00 3.29 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 4 T 8.70 4.77 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 1.23 0.00 0.00 5 P 0.00 4.86 0.00 2.01 1.87 0.00 3.68 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 6 K 9.55 4.76 0.00 1.77 1.76 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 7 I 8.25 5.16 1.91 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 1.33 0.61 0.96 0.00 0.00 8 Q 9.06 4.79 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 9 V 8.52 5.09 2.32 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 0.92 0.00 0.00 1.09 0.00 0.00 10 Y 8.22 5.18 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.89 5.64 0.00 4.37 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 12 R 9.04 4.07 0.00 1.81 2.00 0.00 2.97 0.00 0.00 2.95 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.47 0.00 13 H 7.86 5.01 0.00 3.20 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.38 0.00 2.11 2.08 0.00 3.78 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 2.09 2.16 0.00 15 A 8.89 4.22 1.70 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 0.00 0.00 16 E 8.59 4.61 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 17 N 8.86 4.59 0.00 2.78 2.79 0.00 0.00 7.27 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 18 G 9.51 3.91 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 0.00 19 K 7.50 4.56 0.00 1.72 1.65 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.67 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.64 7.81 20 S 8.68 4.04 0.00 3.81 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 21 N 8.29 4.94 0.00 2.70 2.16 0.00 0.00 6.76 7.31 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 22 F 8.94 5.34 0.00 3.01 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 23 L 8.58 4.35 0.00 0.27 0.84 -0.64 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.94 5.43 0.00 1.54 2.39 0.00 0.00 5.95 8.32 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 25 C 9.56 5.25 0.00 2.89 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 26 Y 9.12 5.17 0.00 3.46 3.23 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 27 V 9.00 4.99 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 0.85 0.00 0.00 0.90 0.00 0.00 28 S 9.06 5.19 0.00 3.82 3.46 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 29 G 8.70 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.53 4.88 0.00 3.18 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 31 H 8.48 5.01 0.00 3.23 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.73 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 4.85 0.00 2.11 2.04 0.00 3.88 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 33 S 8.22 3.63 0.00 3.29 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 34 D 7.87 4.45 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.98 4.57 1.37 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.76 0.74 0.00 0.00 36 E 8.83 4.54 0.00 1.97 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 37 V 7.98 4.45 0.67 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 0.35 0.00 0.00 0.51 0.00 0.00 38 D 8.86 4.98 0.00 2.51 2.44 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 39 L 8.34 4.92 0.00 1.56 1.51 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.80 5.16 0.00 1.56 1.51 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.13 4.28 0.00 1.77 1.60 0.00 1.96 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.16 0.80 7.81 42 N 9.49 4.15 0.00 2.80 2.79 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.47 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.46 4.56 0.00 1.92 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 2.18 2.18 0.00 45 R 8.56 4.26 0.00 1.78 1.82 0.00 3.24 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 46 I 7.79 4.43 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.92 0.00 0.00 47 E 7.96 4.10 0.00 1.95 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 2.26 2.22 0.00 48 K 7.65 3.98 0.00 1.68 1.75 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.45 7.81 49 V 7.76 4.40 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 1.14 0.00 0.00 0.91 0.00 0.00 50 E 8.19 4.45 0.00 1.16 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 2.23 2.10 0.00 51 H 8.00 5.15 0.00 1.81 2.07 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.81 4.33 0.00 3.93 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 53 D 8.38 4.60 0.00 2.65 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 54 L 8.42 4.01 0.00 1.63 1.61 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.19 4.61 0.00 3.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.50 5.47 0.00 2.82 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 57 S 9.31 4.64 0.00 4.08 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 *58 K 8.61 3.93 0.00 1.77 1.76 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.03 7.81 59 D 7.80 4.44 0.00 2.75 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 60 W 8.08 3.54 0.00 3.27 2.94 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 61 S 7.50 4.55 0.00 3.94 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 62 F 8.35 4.94 0.00 1.93 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.19 5.42 0.00 3.14 2.99 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 64 L 9.78 5.19 0.00 1.99 1.74 1.23 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 65 L 10.01 5.42 0.00 1.85 1.64 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.96 5.31 0.00 3.13 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 67 Y 7.78 5.77 0.00 3.19 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 68 T 8.29 4.25 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 1.09 0.00 0.00 69 E 8.82 3.78 0.00 1.54 1.62 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 2.09 2.03 0.00 70 F 8.43 4.74 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.06 4.24 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 72 P 0.00 4.80 0.00 2.29 2.35 0.00 3.31 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.59 0.00 73 T 8.93 4.63 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 74 E 8.89 4.38 0.00 2.17 2.49 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 2.16 2.28 0.00 75 K 7.79 4.28 0.00 1.82 1.86 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.48 7.81 76 D 8.44 4.54 0.00 2.83 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 0.00 0.00 0.00 0.00 77 E 8.33 4.88 0.00 2.05 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 2.21 2.27 0.00 78 Y 9.07 5.07 0.00 3.05 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.34 4.82 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 80 C 9.10 5.18 0.00 2.95 2.88 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 0.00 0.00 0.00 81 R 9.12 5.13 0.00 1.82 1.68 0.00 3.05 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 82 V 8.75 4.88 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 0.57 0.00 0.00 0.84 0.00 0.00 83 N 8.99 5.25 0.00 2.67 2.52 0.00 0.00 6.57 8.71 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 84 H 8.28 5.06 0.00 3.09 3.04 0.00 5.72 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.10 3.75 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 0.74 0.00 0.00 0.92 0.00 0.00 86 T 8.21 4.32 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 1.36 0.00 0.00 87 L 7.38 4.69 0.00 1.77 1.62 0.90 0.77 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 88 S 8.42 4.50 0.00 3.97 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 89 Q 7.87 4.44 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 90 P 0.00 4.20 0.00 2.16 2.11 0.00 3.73 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 1.98 1.98 0.00 91 K 8.92 4.49 0.00 1.83 1.68 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 92 I 8.40 4.83 1.88 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 1.21 0.75 0.95 0.00 0.00 93 V 8.65 4.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 94 K 8.70 4.53 0.00 1.75 1.81 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.47 7.81 95 W 8.82 4.57 0.00 3.29 3.46 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 96 D 8.68 4.41 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.58 3.00 0.00 0.75 1.49 0.00 2.61 0.00 0.00 2.96 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.00 98 D 7.39 4.56 0.00 2.61 2.57 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 99 M 7.81 4.13 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 * Residues marked with a * may have inaccurate shift predictions.