NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5157 8.3649 119.5560 52.9524 41.3918 176.2545 *4 V 3.9607 8.0624 111.4823 63.2529 33.3314 174.1578 5 T 4.7128 8.5668 120.6000 62.0262 69.1010 173.6444 6 V 4.3305 7.9696 123.8780 60.0487 33.3894 174.7411 7 T 4.7784 8.5181 119.6675 60.3807 70.1200 172.6264 8 A 4.5443 8.2302 129.1077 51.6911 22.1732 176.4364 9 K 3.9310 9.1797 118.3588 57.6967 31.6857 172.4716 10 T 4.7549 7.3784 107.8399 58.9695 71.8138 174.6478 11 V 3.4967 8.1543 119.3486 66.3802 31.6498 177.5938 12 E 3.8885 8.0768 118.4663 58.9103 29.5183 178.0960 13 E 3.8638 8.0308 118.3478 59.8005 29.6752 179.4111 14 A 4.0364 7.7544 119.5837 54.4650 18.2513 179.9617 15 V 3.1457 7.4376 117.6723 66.3325 31.4573 178.3213 16 T 3.3565 7.7213 108.8079 64.0106 68.4554 176.4207 17 K 3.9350 7.8828 122.1612 58.9424 32.4473 178.3495 18 A 4.2093 8.3469 121.4639 55.1579 18.4900 179.1488 19 L 3.8660 8.5655 118.8149 58.3043 41.8084 179.7162 20 I 4.1086 7.3450 108.2421 61.3277 37.1462 175.7390 21 E 4.4579 8.2125 122.3615 56.6712 29.6012 176.0722 22 L 4.4882 7.2061 113.2424 53.6657 45.3723 180.9292 23 Q 4.3505 8.6698 124.1880 55.3390 27.5909 175.0905 24 T 4.7039 7.2443 111.1468 61.3553 71.3381 171.5219 25 T 4.4749 8.1352 109.7979 60.4671 70.9730 174.1260 26 S 4.1293 8.9889 117.7239 61.7700 62.8123 175.5201 27 D 4.4793 8.4911 121.5455 56.6267 38.8489 178.3617 28 K 4.3120 8.3206 120.7469 54.1018 32.4570 177.9932 29 L 4.7066 7.6760 119.2109 55.9978 43.2182 176.0604 30 T 4.9360 8.7643 120.5942 62.2763 72.9944 172.5688 31 Y 5.2341 7.9766 121.7396 56.1474 41.6898 173.0718 32 E 4.6869 9.5684 119.1390 54.5930 33.4483 173.9434 33 I 4.9260 8.4101 125.8294 59.8560 39.2946 175.4451 34 V 4.6353 8.4884 118.5769 60.0568 36.0563 174.6346 35 E 4.6248 8.5615 124.0309 56.3242 33.4649 176.5895 *47 K 4.2490 8.5054 122.0451 54.1145 33.6731 173.1865 *48 P 4.7885 0.0000 0.0000 61.1690 32.8352 179.2856 49 A 4.7693 8.3711 128.9675 49.9449 22.0545 175.6652 50 I 4.7245 8.4726 122.2719 59.7539 38.7343 172.4682 51 I 4.7412 7.9769 121.8492 59.4428 40.6576 174.5148 52 R 4.8874 9.3515 122.0093 55.3300 32.8942 174.3649 53 A 5.4847 8.2954 128.1626 50.0119 22.2346 174.8555 54 K 4.2390 8.2166 116.9430 56.4619 36.0863 174.4779 55 R 4.5184 8.6643 121.3925 55.8100 30.8439 175.8584 56 K 4.1963 9.2282 126.5703 56.5659 33.2672 175.4676 57 E 4.4666 8.4249 124.2780 54.7767 30.9829 176.6635 58 T 4.0919 8.2894 122.4229 63.4065 70.5842 175.5038 59 L 3.9449 8.2972 122.8150 57.9349 41.6234 179.8656 60 Q 3.8886 7.8217 117.2059 59.4062 28.5451 178.2392 61 D 4.3814 7.7161 120.0041 57.1641 40.7049 178.4141 62 K 3.9500 8.1962 118.9536 59.6098 31.9809 179.2658 63 A 3.8295 7.5470 118.9825 55.3578 18.7905 179.3654 64 I 3.6408 8.2213 117.0272 64.3348 37.2884 178.0269 65 E 3.9123 8.7126 120.3436 59.5984 29.1576 178.6341 66 F 4.1406 8.3494 119.2248 61.3281 39.7186 176.8951 67 L 3.4840 8.0968 118.3925 57.7874 41.5963 179.2968 68 E 4.1919 8.7408 118.6705 59.2032 29.1960 178.7783 69 Q 4.1042 7.4807 118.7925 57.5033 28.9930 177.8284 70 V 3.3819 7.2014 119.1791 65.8082 31.6917 177.6475 71 F 4.6098 7.3736 115.7642 60.4381 38.8151 176.6697 72 D 4.5180 7.8355 116.4587 56.9910 41.3748 179.9642 73 A 4.4196 7.3339 121.8926 50.7646 18.5267 177.9589 *75 N 4.1040 8.0530 119.5117 54.2515 38.7704 173.9633 *77 A 4.0599 8.1860 124.5342 51.8743 19.1723 176.2585 78 V 4.3585 7.9855 114.8896 59.9652 35.0021 175.2737 79 D 4.7464 8.4020 123.1064 53.8079 42.3580 175.1630 80 I 5.0233 8.3884 123.8085 59.5561 39.6490 175.3655 81 S 4.6280 9.1970 121.4092 56.6918 65.3776 173.7759 82 V 4.7164 8.4264 124.4053 60.9889 33.1891 175.1917 83 E 4.8910 8.6742 119.9407 55.1890 33.7628 174.3077 84 Y 4.9966 8.5982 123.2459 55.8955 42.1433 173.5654 85 N 4.6185 8.4685 124.6693 51.7794 41.1079 174.6066 86 E 3.8822 8.2032 123.6703 58.0348 31.1266 177.9727 87 T 3.8954 7.8881 108.8221 64.6735 68.3275 174.6409 88 E 4.0675 8.3706 119.9926 55.4120 30.7917 175.5095 89 K 3.8197 8.5156 117.8834 55.8246 30.4912 173.0993 90 E 5.0131 8.1838 118.4228 56.3465 33.9372 174.8672 *92 N 5.0400 8.7619 116.3704 53.7523 40.5543 173.7157 93 V 4.7877 8.5273 124.0310 59.8485 34.0297 174.1534 94 N 5.4465 9.5709 124.4411 51.7520 41.4851 173.0756 95 L 5.1212 9.0589 128.2961 53.4644 43.5541 177.1976 96 K 4.1680 9.1040 128.7182 54.5001 32.5318 173.6838 97 G 3.8327 8.8742 113.7424 46.5232 0.0000 175.4659 98 D 4.3794 7.6383 118.1525 55.4492 40.4222 180.3338 99 D 4.6674 7.6884 117.5542 52.0709 43.9068 176.2923 *101 G 3.9217 8.6688 114.8482 45.7681 0.0000 174.7719 102 I 3.7624 7.6871 120.2263 64.3801 37.1752 178.6001 103 L 4.0570 7.8075 117.3220 56.8721 41.6115 178.4111 104 I 3.5208 7.0512 118.3271 63.9992 37.0162 177.0087 105 G 4.1528 8.3934 106.4946 45.7933 0.0000 174.7522 106 K 3.9546 8.4261 120.8018 57.8746 31.5349 180.0008 107 R 4.6079 8.0531 114.7386 56.9885 31.8890 175.5406 108 G 4.2846 8.5429 107.6469 46.0222 0.0000 177.3448 109 Q 3.9860 8.3888 119.5803 59.2946 28.8047 179.9235 110 T 4.0205 8.0082 108.2655 64.5587 68.6889 176.5206 111 L 4.0788 7.8746 121.2849 57.8600 41.8442 178.8231 112 D 4.5068 9.0022 119.5156 57.5415 40.8722 179.1655 113 S 4.0556 8.1229 113.3312 61.5344 62.4264 175.6782 114 L 4.0040 8.3837 121.9784 58.1560 41.3472 178.9850 115 Q 3.9826 9.3517 119.7795 59.7821 28.9748 178.2666 116 Y 3.9795 8.6573 120.4228 60.9715 38.7230 178.6069 117 L 4.1279 8.1029 119.3963 57.8892 41.8784 179.7615 118 V 3.3646 8.2863 119.5451 64.8611 31.0031 178.1316 119 S 3.8381 8.4404 113.8502 61.2838 62.2270 175.9930 120 L 3.7591 7.5730 122.9131 58.5268 41.7574 178.8487 121 V 3.3051 7.3868 117.2509 65.0108 31.6303 177.3892 122 V 3.5762 7.8029 117.5104 66.5269 31.5034 178.3575 123 N 4.2433 8.8210 116.8612 55.7731 38.1032 177.1458 124 K 4.1282 7.7920 118.8362 58.7256 32.5876 177.5937 125 S 4.6080 7.5847 115.1748 58.0980 63.2170 173.5861 126 S 4.6081 7.8872 115.1508 56.3632 64.8334 174.2443 127 S 4.2524 8.8518 123.7807 61.2298 62.9681 174.5020 128 D 4.7948 7.6982 118.1993 52.9293 42.0158 175.2920 129 Y 4.2853 8.4249 122.6815 57.4825 39.4666 174.8818 130 I 4.3921 7.4193 127.6508 59.3312 39.6982 174.9705 131 R 4.4576 8.2078 123.9337 55.4945 31.2617 175.2457 132 V 4.3044 8.3625 120.1682 59.4835 33.7764 175.0138 133 K 4.7313 8.6761 126.9268 54.4403 34.8139 174.0020 134 L 5.2259 8.4989 130.0374 53.5849 43.6571 174.8684 135 D 5.0486 9.1338 124.7767 51.9769 45.4229 175.6968 136 T 4.7878 8.4006 113.0136 61.6439 68.4818 176.6158 137 E 4.4073 8.9691 122.3702 57.6453 29.3343 177.6217 138 N 4.4323 8.6463 123.6774 58.4871 37.5534 182.9958 *139 Y 4.3174 8.3304 125.0826 62.3568 37.0763 180.6475 140 R 4.2383 7.7670 122.4190 62.9825 29.6889 181.4481 141 E 4.4848 8.9642 120.9253 61.1843 29.8687 181.6584 142 R 4.3709 10.1968 121.2752 60.5407 29.5939 181.1890 143 R 4.4193 8.2291 123.3370 62.8949 29.5840 184.5608 144 K 4.0114 8.2292 122.0320 57.1091 31.8818 178.8549 145 E 4.3844 7.7552 117.1774 56.4353 30.1216 180.6362 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 D 8.36 4.52 0.00 2.71 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 0.00 0.00 0.00 0.00 *4 V 8.06 3.96 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 0.69 0.00 0.00 0.95 0.00 0.00 5 T 8.57 4.71 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 1.22 0.00 0.00 6 V 7.97 4.33 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 0.74 0.00 0.00 0.99 0.00 0.00 7 T 8.52 4.78 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 A 8.23 4.54 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 9 K 9.18 3.93 0.00 1.78 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.02 7.81 10 T 7.38 4.75 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 1.20 0.00 0.00 11 V 8.15 3.50 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 1.06 0.00 0.00 1.01 0.00 0.00 12 E 8.08 3.89 0.00 2.02 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 2.35 2.34 0.00 13 E 8.03 3.86 0.00 2.16 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 2.32 2.34 0.00 14 A 7.75 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.44 3.15 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 0.87 0.00 0.00 0.24 0.00 0.00 16 T 7.72 3.36 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 1.21 0.00 0.00 17 K 7.88 3.93 0.00 1.84 1.96 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.43 7.81 18 A 8.35 4.21 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.57 3.87 0.00 1.72 1.75 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.35 4.11 1.86 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 1.14 0.66 0.94 0.00 0.00 21 E 8.21 4.46 0.00 2.22 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 2.23 2.22 0.00 22 L 7.21 4.49 0.00 1.71 1.35 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.67 4.35 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 24 T 7.24 4.70 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 1.26 0.00 0.00 25 T 8.14 4.47 4.70 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 1.22 0.00 0.00 26 S 8.99 4.13 0.00 4.02 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 27 D 8.49 4.48 0.00 2.82 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 28 K 8.32 4.31 0.00 1.67 1.84 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.23 7.81 29 L 7.68 4.71 0.00 1.68 1.65 1.05 0.92 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 30 T 8.76 4.94 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 1.17 0.00 0.00 31 Y 7.98 5.23 0.00 3.06 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 32 E 9.57 4.69 0.00 2.02 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 2.20 2.24 0.00 33 I 8.41 4.93 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.01 0.96 0.00 0.00 34 V 8.49 4.64 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 35 E 8.56 4.62 0.00 1.99 1.81 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 2.42 2.32 0.00 *47 K 8.51 4.25 0.00 1.80 1.75 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *48 P 0.00 4.79 0.00 2.02 1.82 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 49 A 8.37 4.77 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.47 4.72 1.87 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 1.28 0.83 0.91 0.00 0.00 51 I 7.98 4.74 2.08 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.93 0.83 0.00 0.00 52 R 9.35 4.89 0.00 1.84 1.82 0.00 3.06 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 53 A 8.30 5.48 1.26 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 0.00 0.00 0.00 54 K 8.22 4.24 0.00 1.87 1.90 0.00 1.22 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.18 1.28 7.81 55 R 8.66 4.52 0.00 1.86 1.88 0.00 3.26 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 56 K 9.23 4.20 0.00 1.87 1.71 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.44 7.81 57 E 8.42 4.47 0.00 1.95 1.81 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 2.32 2.31 0.00 58 T 8.29 4.09 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 1.23 0.00 0.00 59 L 8.30 3.94 0.00 1.34 1.38 0.74 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.82 3.89 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 61 D 7.72 4.38 0.00 2.98 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 62 K 8.20 3.95 0.00 1.88 1.75 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 63 A 7.55 3.83 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 64 I 8.22 3.64 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 1.44 0.79 0.97 0.00 0.00 65 E 8.71 3.91 0.00 2.21 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 0.00 2.33 2.41 0.00 66 F 8.35 4.14 0.00 2.96 3.30 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 67 L 8.10 3.48 0.00 1.72 1.53 1.03 0.65 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 68 E 8.74 4.19 0.00 2.12 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 2.39 2.39 0.00 69 Q 7.48 4.10 0.00 2.18 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 70 V 7.20 3.38 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.20 0.00 0.00 71 F 7.37 4.61 0.00 3.05 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 72 D 7.84 4.52 0.00 2.76 2.67 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 73 A 7.33 4.42 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 *75 N 8.05 4.10 0.00 2.74 2.87 0.00 0.00 7.09 7.35 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 *77 A 8.19 4.06 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 78 V 7.99 4.36 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 -0.01 0.00 0.00 0.57 0.00 0.00 79 D 8.40 4.75 0.00 2.61 2.58 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 80 I 8.39 5.02 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.69 0.98 0.00 0.00 81 S 9.20 4.63 0.00 3.84 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 82 V 8.43 4.72 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 0.75 0.00 0.00 0.97 0.00 0.00 83 E 8.67 4.89 0.00 1.89 1.87 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 2.27 2.28 0.00 84 Y 8.60 5.00 0.00 2.82 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 85 N 8.47 4.62 0.00 2.71 2.48 0.00 0.00 6.56 8.49 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 86 E 8.20 3.88 0.00 2.17 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 2.12 2.19 0.00 87 T 7.89 3.90 4.20 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 1.17 0.00 0.00 88 E 8.37 4.07 0.00 1.94 2.03 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 2.29 2.20 0.00 89 K 8.52 3.82 0.00 2.11 1.92 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.52 7.81 90 E 8.18 5.01 0.00 2.28 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 2.23 2.19 0.00 *92 N 8.76 5.04 0.00 2.74 2.88 0.00 0.00 6.44 7.68 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 93 V 8.53 4.79 2.12 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 0.85 0.00 0.00 1.00 0.00 0.00 94 N 9.57 5.45 0.00 2.76 2.78 0.00 0.00 6.64 5.60 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 95 L 9.06 5.12 0.00 1.47 1.48 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.10 4.17 0.00 1.49 1.59 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.27 7.81 97 G 8.87 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 0.00 0.00 0.00 98 D 7.64 4.38 0.00 2.71 2.58 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 99 D 7.69 4.67 0.00 2.56 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 *101 G 8.67 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 0.00 102 I 7.69 3.76 1.85 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 1.57 0.93 0.92 0.00 0.00 103 L 7.81 4.06 0.00 1.62 1.78 0.63 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.05 3.52 2.25 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 1.23 1.32 0.92 0.00 0.00 105 G 8.39 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.43 3.95 0.00 1.78 1.78 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.07 7.81 107 R 8.05 4.61 0.00 1.75 1.90 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 108 G 8.54 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 0.00 0.00 0.00 0.00 109 Q 8.39 3.99 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 110 T 8.01 4.02 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 1.23 0.00 0.00 111 L 7.87 4.08 0.00 1.91 1.81 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 D 9.00 4.51 0.00 2.75 2.80 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 0.00 0.00 0.00 113 S 8.12 4.06 0.00 4.21 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 0.00 114 L 8.38 4.00 0.00 2.08 1.82 1.20 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.35 3.98 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 116 Y 8.66 3.98 0.00 3.26 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 0.00 117 L 8.10 4.13 0.00 2.18 1.92 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.29 3.36 2.28 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 0.93 0.00 0.00 1.00 0.00 0.00 119 S 8.44 3.84 0.00 3.74 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 0.00 120 L 7.57 3.76 0.00 1.81 1.63 0.85 0.75 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 0.00 121 V 7.39 3.31 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 -0.43 0.00 0.00 122 V 7.80 3.58 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 0.77 0.00 0.00 0.79 0.00 0.00 123 N 8.82 4.24 0.00 2.66 2.66 0.00 0.00 6.85 5.12 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 0.00 124 K 7.79 4.13 0.00 1.86 1.86 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.39 7.81 125 S 7.58 4.61 0.00 3.97 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 0.00 126 S 7.89 4.61 0.00 3.69 3.80 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 0.00 0.00 0.00 127 S 8.85 4.25 0.00 3.90 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 0.00 128 D 7.70 4.79 0.00 2.70 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 0.00 129 Y 8.42 4.29 0.00 2.93 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 0.00 130 I 7.42 4.39 1.62 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 0.90 0.00 0.00 131 R 8.21 4.46 0.00 2.16 1.89 0.00 3.60 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 132 V 8.36 4.30 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 0.65 0.00 0.00 0.79 0.00 0.00 133 K 8.68 4.73 0.00 1.80 1.81 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.37 7.81 134 L 8.50 5.23 0.00 1.67 1.59 1.08 1.26 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 0.00 135 D 9.13 5.05 0.00 2.82 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 0.00 136 T 8.40 4.79 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 1.26 0.00 0.00 137 E 8.97 4.41 0.00 2.00 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 2.35 2.30 0.00 138 N 8.65 4.43 0.00 2.69 2.81 0.00 0.00 7.02 7.21 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 *139 Y 8.33 4.32 0.00 2.42 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 0.00 0.00 0.00 0.00 140 R 7.77 4.24 0.00 1.92 1.89 0.00 3.23 0.00 0.00 3.26 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 141 E 8.96 4.48 0.00 1.93 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 2.24 2.19 0.00 142 R 10.20 4.37 0.00 1.91 1.88 0.00 3.23 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 143 R 8.23 4.42 0.00 1.82 1.95 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 144 K 8.23 4.01 0.00 1.76 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.04 7.81 145 E 7.76 4.38 0.00 1.91 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 2.16 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.