NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 M 4.5078 8.2893 120.3363 53.6838 33.9564 176.1012 24 Q 5.3183 7.6482 128.6521 56.7410 27.7429 171.3622 25 E 4.3655 7.9276 113.9988 56.7093 31.0046 182.9731 26 M 4.2575 7.5361 119.2856 58.5217 32.7890 177.9473 27 K 3.8225 7.9400 115.5798 58.1448 33.4871 178.5778 28 E 4.3002 8.1409 124.2161 56.7794 29.9883 175.7543 29 A 3.4547 8.4764 126.8163 52.2814 16.2984 178.4708 30 F 4.3686 8.7234 115.0892 60.5028 36.5985 174.5596 31 T 4.6273 7.0741 111.4134 61.4957 70.4281 173.2666 32 M 3.5415 8.8280 130.6593 56.4602 31.6838 177.5260 33 I 3.5942 6.9708 109.2819 63.6559 39.1384 177.6143 34 D 5.8500 7.7366 115.1964 52.9528 40.5217 177.5566 *38 D 4.4780 9.3223 112.9932 52.6675 42.7493 174.0316 39 G 3.5308 7.5175 110.3554 46.0042 0.0000 174.4548 40 F 4.4488 8.0002 116.8210 57.1609 40.4180 174.5828 41 I 3.1371 8.0741 115.6101 61.4931 35.3482 173.2168 42 D 4.3438 8.2718 124.3579 54.1554 39.0013 177.4322 43 I 4.4166 7.9504 116.9772 58.8623 41.9895 174.2568 44 N 4.1597 8.7712 119.0878 54.3907 35.1672 173.9954 45 D 4.7537 7.2366 119.1674 57.1196 42.8807 180.7275 46 L 5.2793 7.6309 124.3980 54.4208 41.2203 177.1527 47 K 4.1981 9.0162 127.0423 59.6126 32.0156 179.0866 48 E 3.9639 8.1633 118.1284 58.5906 29.9041 180.7386 49 E 4.2832 8.0954 115.5371 58.1089 30.6220 179.6616 *50 F 4.9107 7.5904 117.9934 57.2233 39.2825 180.8474 51 S 4.7106 7.8869 118.4656 58.3576 65.1634 178.1973 52 S 4.5689 8.0518 114.8753 60.6128 62.1280 179.7647 53 L 4.8972 7.8532 115.9277 55.6729 47.6086 177.2292 54 G 4.0781 7.5063 102.0417 45.3623 0.0000 176.2165 55 R 4.6490 8.6546 113.4621 54.9019 32.3920 174.0512 56 T 4.1262 8.1442 116.5711 63.2288 71.1867 173.7545 57 P 3.9130 0.0000 0.0000 64.4410 32.3398 178.5844 *62 L 4.4256 8.5755 115.5484 55.4702 40.9024 178.4531 63 T 4.5752 8.3954 108.2134 61.3813 67.7104 173.8983 64 A 4.5607 8.2464 123.9977 53.1784 21.7295 177.8026 65 M 4.4583 7.8453 116.1410 53.1444 30.5950 175.0846 66 L 4.6793 6.8973 122.6980 55.5597 41.0804 174.6256 67 K 4.3662 8.2190 123.4734 57.8266 33.6877 175.9222 68 E 4.4460 7.9889 117.4702 56.5025 30.1674 175.7267 69 A 4.8493 7.4948 115.6734 50.8554 18.9763 175.9235 70 P 4.1279 0.0000 0.0000 65.0797 33.8811 181.3810 71 G 3.7275 8.2057 104.4519 46.2450 0.0000 174.5934 72 P 4.5667 0.0000 0.0000 62.1654 33.7895 179.3920 73 L 3.6582 8.0815 115.5965 52.6231 43.8279 179.8514 74 N 4.2765 8.8505 130.6240 53.6668 36.3766 173.3084 75 F 4.5928 8.4563 117.0414 58.0464 43.1145 176.2776 76 T 3.6921 8.6733 114.1627 67.0282 67.4131 175.3914 77 M 4.3532 9.0003 127.4680 55.9578 32.1621 179.0764 78 F 4.2898 7.9662 123.4341 62.5289 40.1375 176.8027 79 L 4.1028 7.8981 118.1197 56.6889 41.0176 177.3830 80 S 4.2682 6.9059 113.9447 59.0715 62.1873 175.1070 81 I 3.5487 7.2644 116.6556 64.1287 38.2039 176.6010 82 F 3.7714 7.8437 125.0471 58.0771 40.1976 176.7783 83 S 3.3582 8.2626 120.7306 59.5200 61.7886 172.1616 84 D 4.3685 8.6418 116.5369 55.4963 39.7696 173.8207 85 K 4.4433 7.9311 116.7416 56.8628 32.4374 175.9175 86 L 4.6952 7.4760 115.9332 54.2522 42.2099 176.0542 87 S 4.3933 7.9405 115.5031 59.6340 63.1504 175.1736 88 G 3.8935 8.8976 112.9859 45.8308 0.0000 173.2740 89 T 3.8226 7.3361 115.5741 64.0476 67.7854 173.9383 90 D 4.7125 8.2786 126.6342 52.8466 42.4807 176.4551 91 S 4.3427 8.2615 114.7452 58.2059 62.8583 174.1843 92 E 4.3452 8.7803 123.0111 57.5116 29.5162 177.4292 93 E 4.5213 8.5053 121.2943 58.5059 30.6281 176.7407 94 T 4.1891 8.1307 116.9084 64.9637 68.5583 176.3628 95 I 3.5964 7.7509 120.9338 65.0024 37.3071 178.1409 96 R 4.4128 8.1673 117.3841 59.8255 30.2499 177.8372 97 N 4.5776 8.1345 115.9501 56.1215 38.3234 176.9406 98 A 3.9896 8.4638 122.1638 55.6053 18.5632 179.4684 99 F 4.4042 8.2129 115.8863 60.4486 38.9888 177.9453 100 G 3.7901 8.0651 105.4730 48.3520 0.0000 175.2444 101 M 4.1582 7.9926 118.5075 56.7566 31.8640 177.3749 102 F 4.9971 7.7392 117.5311 56.4322 40.7547 175.5151 103 D 4.6792 7.9161 115.5994 53.2918 42.2042 176.1709 104 E 4.5549 8.5583 117.0762 57.3629 29.2736 177.8721 105 D 4.6073 8.1803 115.2536 52.7375 40.3312 179.3483 106 A 3.9501 7.6096 120.8306 54.6440 15.8231 178.1726 107 T 4.1876 8.0116 118.5564 63.6398 70.0487 175.6456 108 K 4.5240 8.3777 119.7266 55.6436 29.8090 175.4771 109 K 5.1539 7.9112 112.1098 56.5374 36.3838 176.0185 110 L 5.0485 8.4520 123.1432 52.8161 45.6042 175.4111 111 N 4.5737 9.1798 120.0271 54.2053 39.2614 175.9638 112 I 3.0609 8.7501 121.5380 63.1027 38.4858 177.5303 113 E 3.9909 8.2666 120.0031 60.0134 29.5616 178.6730 114 Y 4.3779 7.7632 117.7190 61.2104 38.9949 178.2603 115 I 3.3545 7.4511 119.4282 64.3071 36.9809 178.4273 116 K 3.6183 8.4005 120.2566 58.8792 31.7171 177.6846 117 D 4.7869 7.7285 116.9257 54.9999 42.3708 177.8937 118 L 3.8169 7.7968 118.9653 56.5145 41.6404 178.5825 119 L 3.9483 7.3220 118.2402 56.8080 42.2115 178.4208 120 E 4.1063 7.4386 117.6796 58.4231 29.5516 176.8787 121 N 4.9799 7.7094 112.9094 52.6902 40.5991 173.0410 122 M 4.7469 7.6077 118.5596 54.1562 36.6174 177.9788 123 G 3.7701 7.6411 108.0001 46.8390 0.0000 177.5830 124 D 4.7539 8.5030 122.6399 52.8992 39.1995 174.3689 125 N 5.0359 7.9081 118.7936 50.3579 39.8783 175.2202 126 F 5.1500 8.6750 119.1429 56.3736 40.7663 175.6249 127 N 4.6016 9.4191 120.8520 52.8507 39.3548 176.6083 128 K 3.9230 8.9230 121.5994 59.8173 32.0458 179.0132 129 D 4.3469 8.0075 118.3843 57.1218 41.1332 178.0024 130 E 3.8101 8.1373 118.5888 60.0806 29.4920 179.0869 131 M 4.6689 8.3813 119.5427 57.9501 31.9064 178.5547 132 R 4.0156 7.9499 117.7965 60.2505 30.3126 178.0037 133 M 4.2157 8.2254 116.9760 58.9846 32.5590 178.4681 134 T 3.8312 8.1913 108.7965 65.1173 69.8934 173.9457 135 F 4.9745 7.8196 122.7542 55.8421 37.7792 174.6100 136 K 4.4991 8.0476 121.1724 57.6703 34.3856 177.7660 137 E 4.5311 7.9951 114.6378 55.3690 30.3204 174.7124 138 A 4.3012 7.6235 117.9528 50.7674 19.1491 176.5352 139 P 4.2671 0.0000 0.0000 64.1511 32.0097 175.9855 140 V 4.9554 8.1650 116.4860 59.9645 36.3612 175.1164 141 E 4.4420 9.1174 119.7521 56.8305 33.7387 176.5331 142 G 3.8458 9.6921 111.4056 46.1168 0.0000 173.6806 143 G 3.7944 8.3603 106.4742 45.3045 0.0000 173.1801 144 K 4.7265 8.0037 119.5476 53.9351 34.7396 175.5924 145 F 4.5589 8.9666 128.2240 58.2302 40.8550 173.7107 146 D 4.5958 7.4482 123.7407 51.5868 40.8784 175.3714 147 Y 3.7902 8.6511 122.2598 59.3067 38.4153 178.5919 148 V 4.0896 6.5998 123.4835 62.3485 31.0569 175.7885 149 R 4.5798 8.0993 121.6909 56.7622 37.4729 178.7782 150 F 3.7130 7.5983 122.8447 61.5960 39.5082 178.1599 151 V 3.8114 8.3826 118.2891 66.4043 31.3022 180.1006 152 A 4.2042 8.0474 120.1261 55.4577 18.2788 179.3018 153 M 4.1497 7.9837 114.1986 57.6537 31.4412 177.6428 154 I 4.0013 7.7784 112.4072 60.4423 38.0849 175.6228 155 K 4.1535 7.7193 127.2821 56.9431 33.7365 175.7653 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 23 M 8.29 4.51 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 24 Q 7.65 5.32 0.00 2.37 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.96 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 25 E 7.93 4.37 0.00 2.01 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 2.20 1.86 0.00 26 M 7.54 4.26 0.00 2.11 2.08 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 2.61 2.68 0.00 27 K 7.94 3.82 0.00 1.47 1.52 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.50 7.81 28 E 8.14 4.30 0.00 1.85 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 29 A 8.48 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.72 4.37 0.00 3.16 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 31 T 7.07 4.63 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 32 M 8.83 3.54 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 33 I 6.97 3.59 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.98 0.00 0.00 34 D 7.74 5.85 0.00 2.72 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 0.00 0.00 0.00 *38 D 9.32 4.48 0.00 2.67 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 39 G 7.52 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.45 0.00 2.93 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 41 I 8.07 3.14 1.92 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 1.54 0.73 1.05 0.00 0.00 42 D 8.27 4.34 0.00 2.92 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 43 I 7.95 4.42 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.94 0.00 0.00 44 N 8.77 4.16 0.00 2.88 2.83 0.00 0.00 6.96 8.06 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 45 D 7.24 4.75 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 46 L 7.63 5.28 0.00 1.67 1.47 0.96 1.08 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 47 K 9.02 4.20 0.00 2.17 2.18 0.00 1.40 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 48 E 8.16 3.96 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 2.23 1.87 0.00 49 E 8.10 4.28 0.00 1.98 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 2.23 1.87 0.00 *50 F 7.59 4.91 0.00 2.19 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 0.00 0.00 0.00 0.00 51 S 7.89 4.71 0.00 3.58 3.79 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 52 S 8.05 4.57 0.00 3.62 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 53 L 7.85 4.90 0.00 1.53 1.66 0.92 0.77 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 54 G 7.51 4.08 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 0.00 0.00 0.00 55 R 8.65 4.65 0.00 1.76 1.83 0.00 3.24 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 56 T 8.14 4.13 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 57 P 0.00 3.91 0.00 2.19 1.49 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 *62 L 8.58 4.43 0.00 1.81 1.45 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.40 4.58 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 64 A 8.25 4.56 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 65 M 7.85 4.46 0.00 2.05 2.07 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 2.61 2.54 0.00 66 L 6.90 4.68 0.00 1.87 1.96 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.22 4.37 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.38 7.81 68 E 7.99 4.45 0.00 1.97 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 2.25 2.29 0.00 69 A 7.49 4.85 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 70 P 0.00 4.13 0.00 2.07 2.11 0.00 3.84 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 2.04 2.14 0.00 71 G 8.21 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.57 0.00 1.98 1.99 0.00 3.63 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 1.98 2.23 0.00 73 L 8.08 3.66 0.00 1.66 1.17 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.85 4.28 0.00 3.00 2.89 0.00 0.00 5.56 7.43 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 75 F 8.46 4.59 0.00 2.77 3.01 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 0.00 0.00 0.00 76 T 8.67 3.69 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 1.16 0.00 0.00 77 M 9.00 4.35 0.00 2.18 2.25 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 2.72 2.56 0.00 78 F 7.97 4.29 0.00 2.89 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 79 L 7.90 4.10 0.00 1.63 1.74 1.01 0.89 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 80 S 6.91 4.27 0.00 3.76 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 81 I 7.26 3.55 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.93 0.00 0.00 82 F 7.84 3.77 0.00 2.58 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 83 S 8.26 3.36 0.00 4.13 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 84 D 8.64 4.37 0.00 2.76 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 85 K 7.93 4.44 0.00 1.65 1.58 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.27 7.81 86 L 7.48 4.70 0.00 1.74 1.60 0.82 0.82 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 87 S 7.94 4.39 0.00 3.83 3.79 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 88 G 8.90 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 89 T 7.34 3.82 4.42 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 1.22 0.00 0.00 90 D 8.28 4.71 0.00 2.68 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 91 S 8.26 4.34 0.00 3.88 3.75 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 92 E 8.78 4.35 0.00 2.23 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 2.32 2.42 0.00 93 E 8.51 4.52 0.00 2.03 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 2.27 2.50 0.00 94 T 8.13 4.19 4.44 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 1.26 0.00 0.00 95 I 7.75 3.60 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.91 0.00 0.00 96 R 8.17 4.41 0.00 2.08 2.20 0.00 3.36 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 97 N 8.13 4.58 0.00 3.02 2.88 0.00 0.00 6.89 8.41 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 98 A 8.46 3.99 1.14 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 99 F 8.21 4.40 0.00 3.07 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 0.00 0.00 0.00 100 G 8.07 3.79 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 0.00 0.00 0.00 101 M 7.99 4.16 0.00 1.53 1.43 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 102 F 7.74 5.00 0.00 2.92 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 0.00 103 D 7.92 4.68 0.00 2.93 2.66 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 0.00 0.00 0.00 104 E 8.56 4.55 0.00 2.00 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 2.43 2.23 0.00 105 D 8.18 4.61 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.61 3.95 1.39 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 0.00 0.00 107 T 8.01 4.19 4.56 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 1.26 0.00 0.00 108 K 8.38 4.52 0.00 1.77 1.65 0.00 1.72 0.00 0.00 1.52 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.35 7.81 109 K 7.91 5.15 0.00 1.69 1.83 0.00 1.78 0.00 0.00 2.61 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.36 7.81 110 L 8.45 5.05 0.00 1.55 1.66 0.72 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 111 N 9.18 4.57 0.00 2.72 2.77 0.00 0.00 7.07 7.48 0.00 0.00 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 I 8.75 3.06 1.83 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 0.73 0.00 0.00 113 E 8.27 3.99 0.00 1.98 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 2.38 2.34 0.00 114 Y 7.76 4.38 0.00 2.78 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 0.00 115 I 7.45 3.35 1.51 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.20 0.47 0.00 0.00 116 K 8.40 3.62 0.00 1.58 1.69 0.00 1.39 0.00 0.00 1.17 0.00 0.00 2.27 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.39 1.20 7.81 117 D 7.73 4.79 0.00 2.79 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 0.00 118 L 7.80 3.82 0.00 1.17 1.17 -0.46 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.32 3.95 0.00 1.47 0.97 0.66 -0.02 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 0.00 120 E 7.44 4.11 0.00 2.16 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 2.34 2.40 0.00 121 N 7.71 4.98 0.00 2.84 2.74 0.00 0.00 6.78 7.71 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 0.00 122 M 7.61 4.75 0.00 1.92 2.08 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 2.39 2.53 0.00 123 G 7.64 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.50 4.75 0.00 2.70 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 0.00 125 N 7.91 5.04 0.00 2.84 2.84 0.00 0.00 6.89 7.53 0.00 0.00 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 F 8.67 5.15 0.00 2.82 3.03 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 0.00 127 N 9.42 4.60 0.00 2.61 2.72 0.00 0.00 6.80 8.43 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 0.00 128 K 8.92 3.92 0.00 1.78 1.93 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.55 7.81 129 D 8.01 4.35 0.00 2.67 2.69 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 0.00 130 E 8.14 3.81 0.00 2.04 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 1.97 2.19 0.00 131 M 8.38 4.67 0.00 2.31 2.43 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.16 2.93 0.00 132 R 7.95 4.02 0.00 1.99 2.23 0.00 3.30 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 133 M 8.23 4.22 0.00 2.02 2.33 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 2.64 2.55 0.00 134 T 8.19 3.83 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 1.44 0.00 0.00 135 F 7.82 4.97 0.00 3.25 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 0.00 136 K 8.05 4.50 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.37 7.81 137 E 8.00 4.53 0.00 1.85 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 2.17 2.18 0.00 138 A 7.62 4.30 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 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.27 0.00 2.02 2.16 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 140 V 8.17 4.96 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 0.96 0.00 0.00 0.98 0.00 0.00 141 E 9.12 4.44 0.00 2.00 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 2.23 2.23 0.00 142 G 9.69 3.85 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 0.00 0.00 0.00 143 G 8.36 3.79 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 0.00 0.00 0.00 144 K 8.00 4.73 0.00 1.99 1.77 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.38 7.81 145 F 8.97 4.56 0.00 3.26 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 0.00 146 D 7.45 4.60 0.00 2.63 2.25 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 0.00 147 Y 8.65 3.79 0.00 2.24 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 0.00 0.00 0.00 148 V 6.60 4.09 1.85 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 0.62 0.00 0.00 0.12 0.00 0.00 149 R 8.10 4.58 0.00 1.72 1.82 0.00 3.34 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.00 150 F 7.60 3.71 0.00 2.88 3.13 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 0.00 0.00 0.00 151 V 8.38 3.81 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 0.74 0.00 0.00 0.93 0.00 0.00 152 A 8.05 4.20 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 0.00 153 M 7.98 4.15 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 154 I 7.78 4.00 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.38 0.00 0.00 155 K 7.72 4.15 0.00 1.87 2.11 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.