NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5172 8.1133 120.8887 56.6294 32.2552 177.1271 2 D 4.3775 8.3392 117.5616 55.8564 40.5527 177.7910 3 K 3.8626 8.7129 120.1402 60.0301 33.0531 178.5926 4 F 4.4764 7.7599 118.2065 60.2115 39.0017 177.6085 5 M 4.2606 9.1556 119.5478 58.0855 31.8604 178.0278 6 D 4.5509 8.5848 118.7460 57.5374 41.2915 178.1178 7 E 3.9859 8.1001 119.7851 59.1307 29.5742 178.3706 8 F 4.3892 8.0332 121.6908 60.9392 39.5625 177.2356 9 F 3.9221 8.5282 119.5764 60.6645 38.6498 178.5631 10 K 4.0516 7.9880 123.7142 59.6705 31.1304 183.2253 11 Q 4.0626 8.1333 119.5283 58.7846 28.5857 178.8527 12 V 3.4257 7.4723 119.4601 65.9000 31.4616 177.4907 13 E 3.8331 7.8892 118.4755 59.5365 29.4694 178.7309 14 E 3.6602 7.9473 118.3109 59.1696 29.3352 179.5672 15 I 3.7011 7.6171 119.8707 64.4046 37.1419 178.3974 16 R 3.9185 8.0515 119.1099 59.6355 29.8256 179.1501 17 Q 3.9389 8.0588 117.4943 59.0544 28.6381 178.4039 18 Y 4.4087 7.7513 117.7535 61.1784 37.9133 178.6764 19 I 3.7835 8.2030 121.0618 64.5895 37.2304 178.0723 20 D 4.4090 8.3152 119.8311 57.5298 40.6825 178.9132 21 R 3.9430 8.3849 119.3350 59.4678 29.9922 178.7090 22 I 3.6027 7.9652 119.3121 64.2271 37.1483 177.8147 23 A 3.9865 8.3675 122.0414 55.6621 18.2763 179.5019 24 E 3.9306 8.5833 116.8914 59.7881 29.4751 179.5519 25 N 4.3814 8.2211 116.3618 56.0909 38.4905 177.7222 26 V 3.6233 8.2375 122.8906 66.3727 31.5959 178.5176 27 E 3.9954 8.1947 118.2443 61.1134 29.4543 181.0038 28 E 4.1018 8.0927 120.2217 59.0342 29.6531 178.8397 29 V 3.4620 8.0855 118.4485 66.1336 31.5054 177.8491 30 A 3.9629 7.8939 120.2759 55.2228 18.1272 179.8676 31 R 3.8980 7.9143 116.6104 59.4343 30.0941 179.2736 32 Q 3.9496 8.3458 118.2131 59.1315 28.6843 178.4668 33 H 3.8853 8.1080 117.3644 58.9879 28.9074 177.5520 34 Q 3.9930 8.1363 120.9296 59.1533 28.9813 178.2990 35 A 3.9856 8.2437 121.9138 55.1715 18.2411 179.5852 36 I 3.6911 7.9410 117.6387 64.2550 37.3495 177.9019 37 L 4.4157 7.8387 116.3115 55.2217 41.9394 178.4191 38 A 4.1667 7.6445 121.0917 53.9615 18.9527 178.2194 39 S 4.3943 6.9939 111.1463 56.8374 64.2980 173.2600 40 P 4.0898 0.0000 0.0000 65.6117 30.8932 176.4292 41 N 4.6052 7.6383 121.2736 49.5943 38.9656 172.9393 42 P 4.1460 0.0000 0.0000 61.5157 32.1069 176.5141 43 N 3.8206 8.1769 119.4041 52.8906 39.1064 175.9091 44 W 4.5929 8.2338 123.5177 60.0281 29.1380 178.2605 45 F 4.9054 7.8489 114.2314 58.6557 37.4844 176.7539 46 D 4.4723 7.7625 120.3958 57.0029 40.6576 178.5685 47 I 3.9163 7.6238 120.3662 64.2239 37.5373 178.2556 48 S 4.2654 8.3390 115.1943 61.5652 62.7543 176.4000 49 Q 4.1231 8.1523 123.0109 58.6578 28.8251 177.6716 50 L 3.9537 7.9193 121.2290 58.1893 42.1629 178.6503 51 L 4.0328 7.9760 120.1303 58.0862 41.9769 178.8103 52 W 4.1636 8.2407 128.1176 60.3887 30.5825 178.0290 53 L 3.9235 8.2706 119.0490 58.0328 40.9927 179.3380 54 M 4.0597 8.2001 118.4147 58.3188 31.8819 178.6713 55 A 3.8684 7.9620 120.8879 55.1534 18.4402 179.2398 56 D 3.9508 7.5385 116.5322 57.1576 41.2166 178.5451 57 I 3.4946 7.8677 120.7810 64.0829 37.0919 178.0066 58 K 3.8074 8.1654 120.8142 59.6491 31.8319 178.2557 59 E 3.8020 8.0870 119.1743 59.5116 29.5884 178.8996 60 T 3.4006 8.0404 115.7851 66.4459 68.4529 176.2243 61 A 4.0870 8.2677 123.0981 55.5200 18.2876 179.0454 62 N 4.2129 8.1058 115.1467 57.1009 39.0005 176.9210 63 E 3.8448 7.6806 119.7039 59.1480 29.3614 179.5920 64 V 3.4234 7.5128 118.3602 65.8120 31.4303 178.0908 65 R 3.8895 7.9629 118.1767 59.3126 29.8692 179.0732 66 K 3.9375 8.1281 117.9395 59.5747 32.1212 179.5837 67 K 4.1330 8.0722 118.5484 59.4880 31.9268 179.4496 68 L 4.0117 8.2610 119.6752 57.6698 41.5058 179.3885 69 K 3.9367 8.3469 119.7661 59.4646 32.0694 178.4875 70 E 3.9540 8.3843 119.0590 59.6858 29.4240 179.3110 71 I 3.7550 7.7494 119.5888 64.5312 37.2004 178.0907 72 E 3.7869 8.3176 120.0327 59.4249 29.5708 178.9749 73 Q 3.9860 8.2889 118.2017 58.8403 28.8056 178.5150 74 S 4.0551 8.1136 114.3257 61.2159 62.3016 176.2758 75 I 3.5897 7.8736 122.5936 64.5754 36.7000 178.2568 76 E 3.8971 7.9796 117.7528 59.3258 29.2407 179.1204 77 Q 4.0334 7.5819 118.7592 59.1515 29.2653 177.4360 78 E 4.1410 7.7749 118.5756 57.4443 29.7412 176.3764 79 E 3.6174 7.7723 120.3970 56.3368 29.7894 175.9927 *84 S 4.1079 8.5101 120.4730 57.9220 63.0988 173.9477 85 S 4.4547 8.2963 122.6620 57.4622 65.3326 174.5338 86 A 3.9731 8.5548 124.2768 55.8713 18.0195 179.8661 87 D 4.2807 7.9899 116.5634 57.2278 40.9465 178.7020 88 L 3.7684 7.5652 120.0445 57.9368 42.1679 178.7814 89 K 3.8050 8.0500 118.5756 59.7285 32.0255 178.9799 90 I 3.6958 7.6833 119.6140 64.7336 37.0920 178.7320 91 R 3.4774 7.5844 118.4844 58.7383 29.7573 179.0762 92 K 3.9131 8.4146 119.7556 59.7190 32.3929 179.1767 93 R 4.0002 8.5895 118.6224 59.3219 29.9241 179.1469 94 Q 4.1161 8.4400 118.0526 58.8802 28.7220 177.8712 95 H 4.1197 8.4772 119.3259 59.4472 29.9557 176.8140 96 E 4.0044 8.3216 120.2674 59.7479 29.3750 179.2378 97 E 3.9785 8.1074 118.4792 59.3503 29.7318 178.8890 98 L 4.0617 8.1634 119.1258 57.5763 41.5832 179.0368 99 E 4.0668 8.6017 119.9174 59.2388 29.4828 179.1747 100 R 3.9332 8.0886 118.1670 59.2361 30.2022 179.1328 101 K 4.1353 8.2076 118.3059 59.4192 32.0540 179.2836 102 F 4.4109 8.4251 120.8479 61.4704 39.3036 177.4594 103 R 3.6338 8.1905 117.8754 59.0037 29.8460 178.4808 104 E 3.9170 8.3765 119.4982 59.3623 29.6439 179.4019 105 V 3.6566 7.8334 118.9769 65.2117 31.4920 178.2120 106 M 4.1284 7.9530 119.5934 57.7338 31.6925 178.6791 107 K 3.8808 8.3414 120.2026 59.5347 32.4261 178.4928 108 E 3.9623 8.2767 119.5836 59.3085 29.4568 178.2550 109 Y 4.2836 8.0870 119.6745 60.8261 38.8934 177.5731 110 N 4.0393 8.3314 117.2802 56.1573 38.6306 177.1774 111 A 4.2390 8.0174 123.4249 55.0336 18.5802 179.7795 112 T 3.8987 7.9893 114.1640 66.9007 68.4670 176.9641 113 Q 4.0580 8.0246 119.9660 58.9670 28.2565 178.5305 114 Q 3.9764 8.1681 119.1302 59.2426 28.6943 178.8122 115 D 4.4300 8.2650 119.7697 57.4014 40.7845 178.2753 116 Y 4.1523 7.8059 119.6878 60.6504 38.6337 178.0062 117 R 3.5878 8.1145 119.7321 59.0437 30.1882 178.4521 118 K 3.9121 8.1240 119.3946 59.7680 32.3424 179.2014 119 R 3.9659 8.3406 118.2808 58.9424 29.9143 178.8623 120 A 4.0135 7.8768 120.8308 54.6591 18.4536 179.6332 121 R 3.8387 7.5517 117.6932 59.3948 30.2658 178.8765 122 K 4.0127 8.1290 118.4558 59.2828 31.7671 179.5870 123 R 3.8952 7.7875 117.6568 59.3033 30.1063 178.0363 124 N 4.3693 7.9264 115.4614 56.9297 38.9216 176.4431 125 L 4.1898 7.6874 118.6944 56.9850 41.8759 177.3700 126 E 4.2664 7.8003 122.2568 56.5718 29.5562 176.4581 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 1 R 8.11 4.52 0.00 1.98 2.05 0.00 3.29 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 2 D 8.34 4.38 0.00 2.81 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 3 K 8.71 3.86 0.00 1.83 1.81 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.10 7.81 4 F 7.76 4.48 0.00 3.25 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 5 M 9.16 4.26 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.73 0.00 6 D 8.58 4.55 0.00 3.03 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 7 E 8.10 3.99 0.00 2.16 2.20 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 2.42 2.45 0.00 8 F 8.03 4.39 0.00 3.13 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 9 F 8.53 3.92 0.00 3.38 2.98 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 10 K 7.99 4.05 0.00 1.79 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 11 Q 8.13 4.06 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 12 V 7.47 3.43 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 1.03 0.00 0.00 0.18 0.00 0.00 13 E 7.89 3.83 0.00 2.24 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 2.26 2.33 0.00 14 E 7.95 3.66 0.00 2.08 1.61 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 2.11 2.38 0.00 15 I 7.62 3.70 1.91 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 1.50 0.83 0.83 0.00 0.00 16 R 8.05 3.92 0.00 2.03 1.96 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 17 Q 8.06 3.94 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 18 Y 7.75 4.41 0.00 3.09 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 19 I 8.20 3.78 2.03 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 1.64 0.65 1.00 0.00 0.00 20 D 8.32 4.41 0.00 2.84 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 21 R 8.38 3.94 0.00 2.00 2.22 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 22 I 7.97 3.60 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 0.83 0.00 0.00 23 A 8.37 3.99 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 24 E 8.58 3.93 0.00 1.99 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 2.37 0.00 25 N 8.22 4.38 0.00 2.85 2.75 0.00 0.00 6.68 7.02 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 26 V 8.24 3.62 2.22 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 1.09 0.00 0.00 0.85 0.00 0.00 27 E 8.19 4.00 0.00 2.03 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 2.25 2.19 0.00 28 E 8.09 4.10 0.00 2.34 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 2.30 2.18 0.00 29 V 8.09 3.46 2.29 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 0.98 0.00 0.00 1.01 0.00 0.00 30 A 7.89 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 3.90 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 32 Q 8.35 3.95 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 33 H 8.11 3.89 0.00 3.28 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.14 3.99 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 35 A 8.24 3.99 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 36 I 7.94 3.69 2.13 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 1.53 0.63 1.07 0.00 0.00 37 L 7.84 4.42 0.00 1.79 1.76 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.64 4.17 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 39 S 6.99 4.39 0.00 4.05 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 40 P 0.00 4.09 0.00 2.15 2.20 0.00 3.68 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 1.93 1.97 0.00 41 N 7.64 4.61 0.00 2.53 2.53 0.00 0.00 6.90 8.02 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 42 P 0.00 4.15 0.00 1.80 1.87 0.00 3.52 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.26 0.00 43 N 8.18 3.82 0.00 1.84 1.42 0.00 0.00 7.10 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 44 W 8.23 4.59 0.00 3.40 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 45 F 7.85 4.91 0.00 3.22 3.39 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 46 D 7.76 4.47 0.00 2.67 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 47 I 7.62 3.92 2.15 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.85 1.05 0.00 0.00 48 S 8.34 4.27 0.00 4.16 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 0.00 49 Q 8.15 4.12 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 50 L 7.92 3.95 0.00 1.90 1.89 0.82 0.20 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 51 L 7.98 4.03 0.00 1.92 1.96 0.98 1.09 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 52 W 8.24 4.16 0.00 3.56 3.25 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 53 L 8.27 3.92 0.00 1.76 1.67 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 54 M 8.20 4.06 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.79 0.00 55 A 7.96 3.87 1.11 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 0.00 0.00 56 D 7.54 3.95 0.00 2.40 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 I 7.87 3.49 1.72 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 1.09 0.26 0.47 0.00 0.00 58 K 8.17 3.81 0.00 1.80 1.92 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 59 E 8.09 3.80 0.00 2.02 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 2.16 2.24 0.00 60 T 8.04 3.40 4.11 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 1.01 0.00 0.00 61 A 8.27 4.09 1.56 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 0.00 0.00 62 N 8.11 4.21 0.00 2.92 2.94 0.00 0.00 7.28 7.72 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 63 E 7.68 3.84 0.00 1.62 1.68 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 2.26 2.14 0.00 64 V 7.51 3.42 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 0.18 0.00 0.00 0.82 0.00 0.00 65 R 7.96 3.89 0.00 2.06 2.02 0.00 3.27 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 66 K 8.13 3.94 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.56 7.81 67 K 8.07 4.13 0.00 1.85 1.86 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.69 7.81 68 L 8.26 4.01 0.00 1.84 1.75 0.80 0.62 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 69 K 8.35 3.94 0.00 1.94 2.10 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 70 E 8.38 3.95 0.00 2.27 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 2.34 2.47 0.00 71 I 7.75 3.75 2.14 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 1.64 0.66 1.08 0.00 0.00 72 E 8.32 3.79 0.00 2.09 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 0.00 2.42 2.25 0.00 73 Q 8.29 3.99 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 74 S 8.11 4.06 0.00 3.86 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 75 I 7.87 3.59 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.84 0.00 0.00 76 E 7.98 3.90 0.00 2.08 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 2.42 0.00 77 Q 7.58 4.03 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 78 E 7.77 4.14 0.00 1.93 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 2.26 2.25 0.00 79 E 7.77 3.62 0.00 2.12 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 2.23 0.00 *84 S 8.51 4.11 0.00 3.88 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 85 S 8.30 4.45 0.00 4.08 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 86 A 8.55 3.97 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 87 D 7.99 4.28 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 88 L 7.57 3.77 0.00 1.71 1.75 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.05 3.81 0.00 1.98 1.86 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.61 7.81 90 I 7.68 3.70 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.74 1.00 0.00 0.00 91 R 7.58 3.48 0.00 1.72 1.63 0.00 2.21 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 K 8.41 3.91 0.00 1.98 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 93 R 8.59 4.00 0.00 2.11 2.01 0.00 3.36 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 94 Q 8.44 4.12 0.00 2.48 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.71 0.00 95 H 8.48 4.12 0.00 3.36 3.50 0.00 5.61 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 96 E 8.32 4.00 0.00 2.27 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 2.39 2.42 0.00 97 E 8.11 3.98 0.00 2.15 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 0.00 2.34 2.43 0.00 98 L 8.16 4.06 0.00 1.83 1.67 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.60 4.07 0.00 2.17 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 2.30 2.22 0.00 100 R 8.09 3.93 0.00 2.11 1.98 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 101 K 8.21 4.14 0.00 1.99 1.93 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.63 7.81 102 F 8.43 4.41 0.00 3.09 3.25 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 0.00 103 R 8.19 3.63 0.00 1.86 1.89 0.00 3.20 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 104 E 8.38 3.92 0.00 2.06 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 2.32 2.34 0.00 105 V 7.83 3.66 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 0.95 0.00 0.00 0.97 0.00 0.00 106 M 7.95 4.13 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 107 K 8.34 3.88 0.00 1.97 1.91 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 108 E 8.28 3.96 0.00 2.26 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 0.00 2.34 2.41 0.00 109 Y 8.09 4.28 0.00 3.08 3.15 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 0.00 110 N 8.33 4.04 0.00 2.86 2.77 0.00 0.00 6.96 6.60 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 0.00 111 A 8.02 4.24 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 0.00 112 T 7.99 3.90 4.52 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 1.33 0.00 0.00 113 Q 8.02 4.06 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 114 Q 8.17 3.98 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 115 D 8.26 4.43 0.00 2.88 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 0.00 116 Y 7.81 4.15 0.00 2.48 2.96 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 0.00 117 R 8.11 3.59 0.00 1.84 2.02 0.00 3.10 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 118 K 8.12 3.91 0.00 1.84 1.90 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 119 R 8.34 3.97 0.00 1.99 1.99 0.00 3.34 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 120 A 7.88 4.01 1.02 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 0.00 0.00 121 R 7.55 3.84 0.00 1.93 2.05 0.00 3.11 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 122 K 8.13 4.01 0.00 1.97 1.83 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 123 R 7.79 3.90 0.00 1.92 1.98 0.00 3.34 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 124 N 7.93 4.37 0.00 2.78 3.06 0.00 0.00 7.34 7.06 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 0.00 125 L 7.69 4.19 0.00 1.81 1.70 0.94 0.87 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 0.00 126 E 7.80 4.27 0.00 2.13 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 2.34 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.