NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 D 4.6207 8.3531 119.5566 52.9160 41.8120 175.4656 3 G 3.6396 8.1123 109.0079 44.9901 0.0000 172.6581 4 D 4.7431 9.7305 122.4938 52.2091 43.5076 175.5270 5 A 4.2309 8.6375 129.9198 55.0292 18.4491 178.8800 6 A 3.9449 8.1952 119.6514 55.3889 18.4108 180.0650 7 K 4.0507 8.2732 116.7350 59.3804 32.2057 179.6545 8 G 3.6109 8.4049 106.6119 47.7500 0.0000 175.3273 9 E 2.5400 7.4999 120.6289 58.3536 29.7510 178.8393 10 K 4.0580 7.4356 117.9730 59.3885 32.0703 179.1665 11 E 3.9525 8.2919 119.0740 59.2871 29.2788 179.0281 12 F 3.9379 8.1604 120.3674 60.7832 39.1034 176.6644 13 N 4.3602 7.9669 115.1934 55.9079 38.3117 176.7282 14 K 4.0374 7.9785 119.2212 58.3438 32.5382 178.0122 15 C 3.9292 7.5339 116.9800 60.4561 28.6378 175.7560 16 K 4.3442 7.6773 121.1881 59.2255 31.3192 178.6659 17 A 3.9212 7.8496 121.3578 54.4197 18.2268 177.8504 18 C 4.7348 8.1220 112.5187 59.6456 31.2316 173.9134 19 H 5.2993 7.9793 115.8497 54.0363 32.6979 172.5499 20 M 5.1448 8.7477 118.9297 53.7335 35.1048 174.5517 21 I 4.8632 8.8006 118.6847 59.5915 40.0567 174.4165 22 Q 4.9392 9.4431 128.1003 53.6657 31.6127 175.1905 23 A 2.8842 8.6961 129.4889 50.8986 19.0671 176.4560 24 P 4.1896 0.0000 0.0000 65.5187 31.4105 177.5446 25 D 4.3933 7.7651 114.9342 53.9010 39.6007 177.0435 26 G 3.8873 8.4499 109.3686 45.4259 0.0000 173.9556 27 T 3.9429 8.7074 118.4954 63.2827 68.7853 173.4674 28 D 4.7488 8.5995 127.0907 54.2815 41.6541 175.7931 29 I 4.1062 8.7059 125.9044 62.8553 38.1545 176.0798 30 I 4.6026 7.3386 121.5932 59.0935 40.3018 174.4092 31 K 4.3880 8.9240 129.3828 56.5204 32.9453 175.9538 32 G 4.1805 8.3510 112.7490 45.2706 0.0000 171.8242 33 G 4.2017 9.0320 108.7612 45.1493 0.0000 173.8721 34 K 4.6847 8.3481 116.0869 56.9149 32.8824 177.5330 35 T 3.9776 8.3600 118.9047 66.0371 68.5330 174.1480 36 G 3.9512 8.1234 108.6598 42.4272 0.0000 170.9410 37 P 4.3135 0.0000 0.0000 60.9057 31.8814 176.2786 38 N 4.5728 8.9644 119.7487 54.0961 39.3773 175.0322 39 L 4.3732 8.8292 124.4192 54.7650 42.4207 176.0647 40 Y 3.9969 8.1840 120.8851 58.6503 39.1209 175.4493 41 G 3.6826 7.8087 114.8585 46.2870 0.0000 175.3104 42 V 3.6848 7.4674 122.3406 63.9322 31.6080 176.7086 43 V 3.9112 7.3757 121.1058 63.7880 31.5068 176.1255 44 G 3.9829 9.3988 116.8926 45.0074 0.0000 173.2337 45 R 4.3281 7.8812 120.8342 55.2232 31.5452 175.6134 46 K 4.3713 8.5976 126.4661 56.4119 32.8641 176.4401 47 I 3.2337 7.8122 127.2947 61.9905 37.6003 175.9385 48 A 2.5800 7.9699 127.1919 53.4267 15.6070 177.1449 49 S 4.7026 7.5995 111.1164 57.5605 64.6750 174.3708 50 E 4.1415 8.8670 124.1241 56.1587 29.7911 175.6561 51 E 4.0524 8.8303 127.7633 57.3619 30.2115 177.1114 52 G 3.9914 8.9673 113.5898 45.5545 0.0000 173.0950 53 F 4.0589 7.7502 122.4622 57.4244 39.8168 175.6768 54 K 4.1419 6.7436 127.8768 55.1016 30.7641 176.0729 55 Y 4.6241 8.2138 121.0989 57.2306 38.9473 176.6325 56 G 4.0597 8.7386 108.4072 44.2365 0.0000 174.7617 57 E 4.1715 8.8053 119.9195 59.1796 29.4782 179.9552 58 G 3.6930 7.9654 105.8730 48.0599 0.0000 175.6848 59 I 3.9270 7.9229 121.1778 63.5030 38.0788 177.7740 60 L 3.9894 7.9049 119.9141 57.5793 41.3192 179.0179 61 E 3.9294 8.3285 119.4918 59.0722 29.5840 178.9739 62 V 3.4479 7.8659 118.1546 65.8802 31.3591 177.7973 63 A 3.8711 7.7325 119.2172 55.0977 18.2730 178.9044 64 E 3.9831 7.9854 116.5486 59.5021 29.8636 179.0354 65 K 4.2638 8.1531 117.0989 57.7807 33.5684 177.2086 66 N 4.9376 7.9030 116.6618 50.0231 38.9943 172.8766 67 P 4.2588 0.0000 0.0000 65.1422 31.7852 177.9006 68 D 4.5759 7.8204 115.7011 52.9819 40.1698 175.6561 69 L 4.2481 7.8664 124.8128 55.3201 42.8498 175.7222 70 T 4.8819 8.2003 115.6354 59.2095 72.2957 173.5646 71 W 4.5825 9.0237 124.2185 57.1763 30.0912 175.7703 72 T 4.8433 8.7088 114.4377 59.9437 71.2000 175.3661 73 E 3.9237 8.9265 121.6157 59.5579 29.4813 179.4828 74 A 4.0331 8.0265 120.2121 55.4239 18.5314 179.2932 75 D 4.5801 8.3310 117.4059 57.5184 40.8503 179.0145 76 L 3.6097 8.3569 119.8357 57.6806 41.3492 179.5902 77 I 3.6590 7.7817 118.9154 64.2450 37.2042 177.8116 78 E 4.1210 8.3110 120.0481 59.4463 29.5115 178.1264 79 Y 3.7414 8.0574 119.8477 60.8130 38.7781 178.5716 80 V 3.5609 7.9632 112.6773 63.8898 31.3044 178.6618 81 T 4.8119 7.2960 116.8891 64.7000 68.7743 173.6199 82 D 4.2781 7.5488 115.8324 51.7407 43.9781 174.3002 83 P 3.9708 0.0000 0.0000 65.5818 31.2077 177.7232 84 K 3.8564 8.0947 117.5339 59.9156 31.9057 176.8444 85 P 4.3157 0.0000 0.0000 65.1044 31.3122 178.6042 86 W 4.1563 7.9814 126.6901 60.5501 30.8170 178.0520 87 L 4.0669 8.6826 119.3345 57.8020 41.0012 179.6584 88 V 3.7468 8.0416 118.2533 65.7659 31.2303 177.8673 89 K 3.7947 8.0260 118.4972 59.9716 32.1928 178.4638 90 M 3.9648 7.7150 116.7943 56.9465 31.8951 177.5607 91 T 4.3829 7.3925 107.3619 60.1665 70.3844 174.0250 92 D 4.3631 8.2727 120.3277 55.1750 39.0316 172.8772 93 D 4.7652 7.9825 119.2534 51.9871 42.2998 176.1975 94 K 3.7317 8.9264 129.1072 59.1447 32.1954 177.3701 95 G 3.8971 9.0613 105.7202 44.7717 0.0000 173.1016 96 A 3.9743 8.2068 121.9711 52.6212 18.6820 177.7812 97 K 4.5686 8.8234 121.7813 55.4044 34.4145 175.5039 98 T 4.8468 8.4938 118.0738 60.5252 69.3416 174.0262 99 K 4.2146 9.1164 126.2697 57.3772 32.9024 176.2639 100 M 4.4746 7.7808 119.2720 54.2210 31.8995 175.3202 101 T 4.3284 8.3468 116.3863 61.8712 70.0630 175.2119 102 F 4.1349 8.1764 124.9761 58.2723 39.9351 174.0342 103 K 4.4723 7.3766 125.7502 54.5372 35.3461 175.5076 104 M 4.3629 8.8222 122.2652 53.8016 33.1018 176.2252 105 G 3.8668 8.4919 115.1896 46.1783 0.0000 172.1444 106 K 4.5953 7.4319 117.2337 56.9546 35.3154 175.4690 107 N 4.4026 8.9453 114.6968 54.7451 35.8216 176.6395 108 Q 3.9853 7.6680 120.4993 59.2013 28.6153 178.5645 109 A 4.0487 8.0089 121.1531 55.1209 18.3697 179.3649 110 D 4.3802 8.0246 117.2245 57.5786 41.1026 179.1203 111 V 3.7569 7.6158 119.5126 64.9338 31.2334 178.5432 112 V 3.5783 8.1473 118.8008 65.5837 31.3384 177.8123 113 A 3.9769 8.2912 120.9306 55.1679 18.3059 179.4338 114 F 4.2075 8.3683 119.2184 61.3643 39.2418 177.4615 115 L 3.6514 7.8586 117.7044 57.5203 41.6633 179.0157 116 A 3.9903 8.1247 121.1402 55.0635 18.0662 179.4212 117 Q 3.8838 7.7996 117.2481 58.7302 29.1918 177.0821 118 N 4.6312 7.2886 115.9143 52.5558 40.3700 175.5031 119 S 4.1916 7.5860 114.0792 56.1239 63.4262 173.4325 120 P 4.1397 0.0000 0.0000 65.4909 31.5072 177.5913 121 D 4.7157 7.7984 115.6455 53.6698 41.0871 176.0536 122 A 4.1305 7.7909 128.6402 52.5434 18.2496 178.0596 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 8.35 4.62 0.00 2.71 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 3 G 8.11 3.64 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 0.00 0.00 0.00 4 D 9.73 4.74 0.00 2.65 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 5 A 8.64 4.23 1.46 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 6 A 8.20 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.27 4.05 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.49 7.81 8 G 8.40 3.61 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 0.00 0.00 0.00 9 E 7.50 2.54 0.00 1.17 1.82 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 2.08 1.86 0.00 10 K 7.44 4.06 0.00 2.10 1.79 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 11 E 8.29 3.95 0.00 2.15 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 2.53 2.47 0.00 12 F 8.16 3.94 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 13 N 7.97 4.36 0.00 2.80 2.84 0.00 0.00 7.02 7.16 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 14 K 7.98 4.04 0.00 1.85 1.89 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.56 7.81 15 C 7.53 3.93 0.00 1.23 2.31 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 16 K 7.68 4.34 0.00 2.09 2.23 0.00 1.79 0.00 0.00 1.99 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.37 7.81 17 A 7.85 3.92 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 18 C 8.12 4.73 0.00 2.59 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 19 H 7.98 5.30 0.00 3.11 3.26 0.00 5.57 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.75 5.14 0.00 2.29 2.35 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 2.60 2.59 0.00 21 I 8.80 4.86 1.77 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.54 0.84 0.00 0.00 22 Q 9.44 4.94 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 23 A 8.70 2.88 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 24 P 0.00 4.19 0.00 1.96 2.08 0.00 3.14 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 25 D 7.77 4.39 0.00 2.73 2.71 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 0.00 0.00 0.00 0.00 26 G 8.45 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 27 T 8.71 3.94 4.18 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 1.18 0.00 0.00 28 D 8.60 4.75 0.00 2.67 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 29 I 8.71 4.11 2.03 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 1.30 0.51 0.94 0.00 0.00 30 I 7.34 4.60 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 1.16 0.00 0.00 31 K 8.92 4.39 0.00 1.80 1.74 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.65 7.81 32 G 8.35 4.18 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 0.00 0.00 0.00 33 G 9.03 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 0.00 0.00 0.00 0.00 34 K 8.35 4.68 0.00 1.79 1.91 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.44 7.81 35 T 8.36 3.98 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 1.23 0.00 0.00 36 G 8.12 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.31 0.00 1.88 1.51 0.00 3.48 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.87 0.00 38 N 8.96 4.57 0.00 2.72 2.96 0.00 0.00 7.12 7.41 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 39 L 8.83 4.37 0.00 1.76 1.60 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.18 4.00 0.00 3.00 2.93 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 41 G 7.81 3.68 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 0.00 0.00 0.00 42 V 7.47 3.68 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 0.52 0.00 0.00 0.66 0.00 0.00 43 V 7.38 3.91 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 0.80 0.00 0.00 0.85 0.00 0.00 44 G 9.40 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 0.00 0.00 0.00 45 R 7.88 4.33 0.00 2.21 2.14 0.00 3.19 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 46 K 8.60 4.37 0.00 1.77 1.67 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.52 7.81 47 I 7.81 3.23 1.57 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 0.85 0.49 0.58 0.00 0.00 48 A 7.97 2.58 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 49 S 7.60 4.70 0.00 3.99 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 50 E 8.87 4.14 0.00 2.16 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 2.48 2.38 0.00 51 E 8.83 4.05 0.00 2.04 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 2.34 2.36 0.00 52 G 8.97 3.99 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 0.00 0.00 0.00 53 F 7.75 4.06 0.00 2.99 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 54 K 6.74 4.14 0.00 1.34 1.50 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.33 7.81 55 Y 8.21 4.62 0.00 3.16 3.04 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 0.00 0.00 0.00 56 G 8.74 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 57 E 8.81 4.17 0.00 2.05 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 0.00 2.45 2.36 0.00 58 G 7.97 3.69 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 0.00 0.00 0.00 59 I 7.92 3.93 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 1.16 0.00 0.00 60 L 7.90 3.99 0.00 1.90 1.73 1.12 1.24 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 61 E 8.33 3.93 0.00 2.13 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 0.00 2.28 2.30 0.00 62 V 7.87 3.45 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 0.77 0.00 0.00 0.95 0.00 0.00 63 A 7.73 3.87 1.23 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 0.00 0.00 64 E 7.99 3.98 0.00 2.04 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 2.30 2.33 0.00 65 K 8.15 4.26 0.00 1.89 1.79 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.55 7.81 66 N 7.90 4.94 0.00 2.69 2.59 0.00 0.00 6.58 7.34 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 67 P 0.00 4.26 0.00 2.12 2.15 0.00 3.45 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 68 D 7.82 4.58 0.00 2.77 2.78 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 69 L 7.87 4.25 0.00 1.72 1.51 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.20 4.88 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 1.22 0.00 0.00 71 W 9.02 4.58 0.00 3.45 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 72 T 8.71 4.84 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 1.32 0.00 0.00 73 E 8.93 3.92 0.00 2.05 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 0.00 2.39 2.38 0.00 74 A 8.03 4.03 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 75 D 8.33 4.58 0.00 3.24 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 76 L 8.36 3.61 0.00 1.72 1.47 0.77 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.78 3.66 2.09 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 1.41 0.57 0.93 0.00 0.00 78 E 8.31 4.12 0.00 2.28 2.26 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 2.64 2.49 0.00 79 Y 8.06 3.74 0.00 1.98 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 80 V 7.96 3.56 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 0.75 0.00 0.00 0.96 0.00 0.00 81 T 7.30 4.81 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 1.19 0.00 0.00 82 D 7.55 4.28 0.00 2.55 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 0.00 0.00 0.00 83 P 0.00 3.97 0.00 2.20 1.61 0.00 3.52 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.36 0.00 84 K 8.09 3.86 0.00 1.89 1.93 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 P 0.00 4.32 0.00 2.21 2.13 0.00 4.16 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 86 W 7.98 4.16 0.00 3.65 3.64 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 87 L 8.68 4.07 0.00 2.04 1.84 1.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.04 3.75 2.23 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 1.08 0.00 0.00 1.02 0.00 0.00 89 K 8.03 3.79 0.00 1.73 1.89 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.20 1.37 7.81 90 M 7.71 3.96 0.00 1.50 1.51 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.54 0.00 91 T 7.39 4.38 4.38 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 1.24 0.00 0.00 92 D 8.27 4.36 0.00 2.79 2.77 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 93 D 7.98 4.77 0.00 2.70 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 94 K 8.93 3.73 0.00 1.75 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 95 G 9.06 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 96 A 8.21 3.97 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 97 K 8.82 4.57 0.00 1.79 1.79 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.62 7.81 98 T 8.49 4.85 4.38 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 1.32 0.00 0.00 99 K 9.12 4.21 0.00 1.98 1.98 0.00 1.99 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.55 7.81 100 M 7.78 4.47 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 101 T 8.35 4.33 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 1.26 0.00 0.00 102 F 8.18 4.13 0.00 2.95 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 0.00 103 K 7.38 4.47 0.00 1.45 1.65 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.43 7.81 104 M 8.82 4.36 0.00 1.95 1.94 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 2.43 0.00 105 G 8.49 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 0.00 0.00 0.00 106 K 7.43 4.60 0.00 1.89 1.84 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.41 7.81 107 N 8.95 4.40 0.00 2.94 2.98 0.00 0.00 6.85 7.32 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 0.00 108 Q 7.67 3.99 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 109 A 8.01 4.05 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 0.00 110 D 8.02 4.38 0.00 2.87 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 0.00 111 V 7.62 3.76 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 0.91 0.00 0.00 1.17 0.00 0.00 112 V 8.15 3.58 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 1.06 0.00 0.00 0.96 0.00 0.00 113 A 8.29 3.98 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 0.00 114 F 8.37 4.21 0.00 3.21 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 0.00 115 L 7.86 3.65 0.00 1.75 1.56 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.12 3.99 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 0.00 117 Q 7.80 3.88 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.39 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 118 N 7.29 4.63 0.00 2.23 2.43 0.00 0.00 6.69 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 0.00 119 S 7.59 4.19 0.00 3.78 3.70 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 0.00 120 P 0.00 4.14 0.00 2.16 2.16 0.00 3.30 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 121 D 7.80 4.72 0.00 2.69 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 0.00 122 A 7.79 4.13 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 * Residues marked with a * may have inaccurate shift predictions.