NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Q 4.3926 8.1876 118.9655 56.2248 30.1775 173.6693 16 N 6.0459 8.5208 121.4773 50.1887 39.9514 172.4304 17 Y 4.8360 9.2897 117.8454 55.8035 43.0097 175.9811 18 L 4.4216 8.8711 122.1580 55.5871 42.4214 176.3741 19 F 4.9943 9.1990 124.7021 56.7316 42.9551 173.7146 20 G 4.0150 6.6251 108.5697 45.4923 0.0000 172.1342 21 C 4.3843 7.5495 113.9304 56.6956 32.6315 171.9833 22 E 4.9870 8.6028 121.9855 54.5412 31.3640 174.7996 23 L 5.0996 8.5890 126.2880 53.1373 45.6192 175.3552 24 K 4.5905 8.7119 117.3780 56.3614 35.4686 173.7801 25 A 3.7430 8.6605 123.3326 53.3638 18.4106 177.4489 26 D 4.6047 8.9820 121.6978 54.9853 38.1975 173.7798 27 K 4.6469 7.8355 117.3817 54.5909 35.2324 175.5370 28 D 4.9599 8.5438 121.8201 52.6012 43.7234 174.6602 29 Y 4.2602 9.0963 126.6210 57.3685 40.2033 173.7794 30 H 4.9209 8.1295 124.2347 54.3233 30.3008 174.2556 31 F 4.7942 9.2521 128.4874 56.6237 40.2736 174.6817 32 K 4.8668 7.9458 124.8873 54.7902 35.7726 175.9820 33 V 4.2034 7.7198 120.1989 60.1142 34.1117 176.0981 34 D 4.4704 8.0080 118.9618 52.7697 40.3274 174.7186 *39 E 4.3886 7.9908 121.1141 56.7337 32.7126 175.2929 40 H 5.3594 8.2672 116.0862 54.5422 32.3249 172.5250 41 Q 4.5910 9.5666 124.0193 54.1531 32.9731 173.4958 42 L 4.4924 8.4287 127.8185 53.4849 44.0150 174.8996 43 S 5.1277 8.7188 123.1110 56.6657 64.0164 172.9161 44 L 4.4212 8.9689 128.6509 54.7564 42.4809 176.2818 45 R 4.6157 9.5471 121.4347 56.8224 32.2043 175.5227 46 T 4.8987 8.0958 107.1601 59.8838 72.7762 172.7782 47 V 4.9371 8.5648 122.8055 61.3140 34.3838 174.2269 48 S 5.1920 8.9525 123.0526 56.0813 66.0974 173.6575 49 L 4.2196 8.8912 124.1942 54.6779 42.2834 177.4911 50 G 3.6539 8.6290 110.1650 45.5958 0.0000 174.5085 51 A 4.1936 8.8319 124.1512 54.9609 18.6880 179.9439 52 G 3.5321 8.7301 103.7680 49.7058 0.0000 174.0090 53 A 3.9707 7.0568 119.2478 51.6340 18.4941 177.3770 54 K 4.3566 7.7062 120.7133 55.8625 33.0024 176.0024 55 D 4.6753 8.3724 117.8717 54.7734 41.2077 175.7887 56 E 4.5332 7.8329 114.6165 53.8673 31.8248 174.9115 57 L 4.2835 8.3142 122.1952 55.8118 42.5496 175.6061 58 H 5.4486 9.5722 124.2378 53.5895 31.6844 174.0980 59 I 4.9789 8.1408 121.4061 59.7397 41.0925 174.0557 60 V 4.9139 8.7187 127.6547 61.0600 33.6770 174.3226 61 E 5.2949 9.2959 124.9535 54.5983 33.3793 174.3903 62 A 5.2091 8.9344 122.1716 50.2219 22.6239 174.5902 63 E 5.1570 9.3936 122.7599 54.5010 32.4381 174.6989 64 A 4.6666 8.4333 125.3081 51.1826 23.3492 175.4335 65 M 4.5432 8.9527 119.4889 56.0120 33.1250 176.1518 66 N 4.9145 9.0076 119.8449 51.0564 39.8896 174.3457 67 Y 4.4000 8.6178 118.0883 61.4881 38.6361 177.6724 68 E 3.7352 7.9967 118.9145 57.9400 29.8684 178.3236 69 G 4.1055 8.2260 106.5320 44.9893 0.0000 174.2247 70 S 4.5111 7.8388 114.4552 57.3867 64.8377 171.7050 71 P 5.0980 0.0000 0.0000 62.1891 32.3017 175.4842 72 I 4.5959 8.7232 117.9481 59.0507 40.5312 174.6566 73 K 4.8346 8.5655 123.6975 55.6649 33.2995 176.4687 74 V 4.5788 8.6804 122.8260 60.3579 35.4217 174.3964 75 T 4.7228 8.4592 119.1964 62.6781 68.7396 174.7388 76 L 4.3542 9.0640 128.0396 57.3624 42.4351 177.1685 77 A 4.4070 7.3311 117.2421 51.7731 22.5736 175.2805 78 T 4.9902 8.6665 115.4514 62.0833 70.8586 173.8513 79 L 4.9325 8.8712 126.8537 53.0989 45.5247 176.3944 80 K 4.4112 8.7841 122.3093 56.4032 34.5410 176.2388 81 M 3.7696 8.8217 128.9146 58.6735 32.3534 177.1541 82 S 4.6004 8.2206 109.8875 58.2645 63.7296 174.2552 83 V 4.1036 8.1331 120.2092 64.4479 33.4824 175.5191 84 Q 4.4031 7.4044 120.2988 55.0479 29.6351 171.8458 85 P 4.5029 0.0000 0.0000 64.4716 32.7076 176.2051 86 T 5.1922 7.7719 114.3483 61.6009 72.6794 173.5727 87 V 4.4075 8.7168 124.0523 61.1931 34.8605 173.9581 88 S 5.0418 8.7562 122.6215 57.3558 62.8220 173.5692 89 L 4.2658 9.8010 128.1738 53.7314 42.5903 176.9491 90 G 3.7353 8.8797 106.4792 46.6693 0.0000 173.1407 91 G 3.6498 8.3440 102.2923 46.1293 0.0000 174.6783 92 F 4.7511 8.6657 121.5262 57.3578 40.6394 175.1339 93 E 4.9601 8.9968 126.2821 55.8038 30.7859 176.3411 94 I 4.6401 8.4363 123.5236 59.8166 41.6228 174.7698 95 T 4.3827 8.6303 124.0700 61.9844 68.8277 173.0867 96 P 4.6210 0.0000 0.0000 61.9207 32.0039 174.1387 97 P 4.8628 0.0000 0.0000 62.9691 32.3695 175.8956 98 V 4.8116 8.8339 120.0826 60.2756 35.1420 173.8701 99 V 4.9488 9.0459 123.0611 61.2114 34.3669 174.2239 100 L 5.1312 8.4202 126.8828 53.2463 45.3489 175.4182 101 R 4.6592 8.2181 116.5495 56.0417 32.6087 172.9196 102 L 4.8300 7.9196 119.3603 53.5473 42.3634 178.0509 103 K 4.2433 9.7083 127.5566 58.2363 33.1118 176.8142 104 C 4.8399 7.4655 114.0934 56.8898 32.5337 171.0232 105 G 3.3919 9.5841 111.8816 44.6681 0.0000 173.3004 106 S 3.7230 9.0988 122.0876 60.4793 63.8218 174.4776 107 G 4.0094 8.0506 105.9877 42.3268 0.0000 170.4906 108 P 5.0480 0.0000 0.0000 61.7746 34.2094 174.9645 109 V 4.6227 8.8400 119.5508 61.6643 34.7639 173.8129 110 H 5.2204 9.3101 125.5013 55.0761 30.9879 174.3078 111 I 5.1011 8.6248 122.3263 59.5604 40.6589 174.7996 112 S 5.0641 10.0126 121.3499 56.0841 66.7296 173.9610 113 G 4.0631 7.0998 105.5053 47.0389 0.0000 171.0044 114 Q 5.3070 8.5550 118.2971 54.3915 32.3654 174.9991 115 H 5.0247 9.3199 122.7570 54.6967 31.6207 173.1830 116 L 5.0607 9.5132 127.8466 54.0942 43.1576 176.4009 117 V 4.5307 8.2864 121.1495 62.0385 35.0062 175.3270 118 A 4.2027 8.8404 127.6049 52.6283 18.9608 176.6188 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 15 Q 8.19 4.39 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 16 N 8.52 6.05 0.00 2.83 2.85 0.00 0.00 6.17 6.66 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 17 Y 9.29 4.84 0.00 2.98 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 18 L 8.87 4.42 0.00 1.59 1.66 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 F 9.20 4.99 0.00 3.10 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 20 G 6.63 4.02 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 0.00 21 C 7.55 4.38 0.00 2.02 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 0.00 0.00 0.00 22 E 8.60 4.99 0.00 1.87 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 2.21 2.36 0.00 23 L 8.59 5.10 0.00 1.57 1.55 0.92 0.75 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 24 K 8.71 4.59 0.00 1.79 1.87 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.37 7.81 25 A 8.66 3.74 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 26 D 8.98 4.60 0.00 2.87 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 27 K 7.84 4.65 0.00 1.92 1.72 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 28 D 8.54 4.96 0.00 2.43 2.30 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 29 Y 9.10 4.26 0.00 3.17 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 30 H 8.13 4.92 0.00 2.88 3.11 0.00 5.74 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.25 4.79 0.00 3.31 3.09 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 0.00 0.00 0.00 32 K 7.95 4.87 0.00 1.56 1.56 0.00 1.42 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.05 1.18 7.81 33 V 7.72 4.20 1.77 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 0.63 0.00 0.00 0.43 0.00 0.00 34 D 8.01 4.47 0.00 2.69 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 *39 E 7.99 4.39 0.00 2.11 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 0.00 2.32 2.42 0.00 40 H 8.27 5.36 0.00 3.05 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.57 4.59 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 42 L 8.43 4.49 0.00 0.93 1.29 -0.67 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.72 5.13 0.00 3.94 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 44 L 8.97 4.42 0.00 1.59 1.57 0.74 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 45 R 9.55 4.62 0.00 1.79 1.88 0.00 3.24 0.00 0.00 3.32 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 46 T 8.10 4.90 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 1.22 0.00 0.00 47 V 8.56 4.94 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 1.07 0.00 0.00 0.96 0.00 0.00 48 S 8.95 5.19 0.00 3.84 3.88 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 49 L 8.89 4.22 0.00 1.44 1.53 0.87 0.56 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 50 G 8.63 3.65 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 0.00 0.00 0.00 51 A 8.83 4.19 1.29 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 0.00 0.00 0.00 52 G 8.73 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 53 A 7.06 3.97 1.29 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 0.00 0.00 0.00 54 K 7.71 4.36 0.00 1.93 1.77 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.62 7.81 55 D 8.37 4.68 0.00 2.62 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 56 E 7.83 4.53 0.00 2.09 1.92 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 2.08 2.17 0.00 57 L 8.31 4.28 0.00 1.66 1.62 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.57 5.45 0.00 3.06 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.14 4.98 1.88 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 1.25 1.05 0.93 0.00 0.00 60 V 8.72 4.91 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 1.12 0.00 0.00 0.95 0.00 0.00 61 E 9.30 5.29 0.00 2.20 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 2.18 2.23 0.00 62 A 8.93 5.21 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 63 E 9.39 5.16 0.00 1.88 1.78 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 2.28 2.23 0.00 64 A 8.43 4.67 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 65 M 8.95 4.54 0.00 1.95 2.06 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 2.63 2.81 0.00 66 N 9.01 4.91 0.00 2.96 3.02 0.00 0.00 6.65 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 67 Y 8.62 4.40 0.00 2.86 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 68 E 8.00 3.74 0.00 2.17 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 2.29 2.19 0.00 69 G 8.23 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 0.00 0.00 0.00 0.00 70 S 7.84 4.51 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.10 0.00 1.97 2.03 0.00 3.64 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 2.02 2.09 0.00 72 I 8.72 4.60 1.90 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 1.48 0.74 0.99 0.00 0.00 73 K 8.57 4.83 0.00 1.67 1.92 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.51 7.81 74 V 8.68 4.58 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 0.90 0.00 0.00 1.00 0.00 0.00 75 T 8.46 4.72 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 1.26 0.00 0.00 76 L 9.06 4.35 0.00 1.66 1.77 0.88 0.84 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 77 A 7.33 4.41 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 78 T 8.67 4.99 4.26 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 1.26 0.00 0.00 79 L 8.87 4.93 0.00 1.57 1.66 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.78 4.41 0.00 1.89 1.64 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.44 7.81 81 M 8.82 3.77 0.00 2.21 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 2.58 2.64 0.00 82 S 8.22 4.60 0.00 4.03 3.94 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 83 V 8.13 4.10 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 0.79 0.00 0.00 0.93 0.00 0.00 84 Q 7.40 4.40 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 85 P 0.00 4.50 0.00 2.10 2.05 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 86 T 7.77 5.19 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 87 V 8.72 4.41 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 0.97 0.00 0.00 0.94 0.00 0.00 88 S 8.76 5.04 0.00 3.92 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 89 L 9.80 4.27 0.00 1.79 1.88 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.88 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 0.00 0.00 0.00 91 G 8.34 3.65 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 0.00 0.00 0.00 92 F 8.67 4.75 0.00 3.09 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 93 E 9.00 4.96 0.00 1.98 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 0.00 2.31 2.39 0.00 94 I 8.44 4.64 1.68 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.06 0.84 0.00 0.00 95 T 8.63 4.38 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 1.24 0.00 0.00 96 P 0.00 4.62 0.00 2.13 2.32 0.00 3.94 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 97 P 0.00 4.86 0.00 2.08 2.04 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 98 V 8.83 4.81 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 0.96 0.00 0.00 0.94 0.00 0.00 99 V 9.05 4.95 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 0.97 0.00 0.00 100 L 8.42 5.13 0.00 1.71 1.56 1.12 0.53 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 0.00 101 R 8.22 4.66 0.00 1.95 2.08 0.00 2.92 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 102 L 7.92 4.83 0.00 1.69 1.66 0.94 0.89 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 0.00 103 K 9.71 4.24 0.00 1.73 1.94 0.00 1.94 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.40 7.81 104 C 7.47 4.84 0.00 3.29 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 0.00 105 G 9.58 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 0.00 0.00 0.00 106 S 9.10 3.72 0.00 4.00 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 0.00 107 G 8.05 4.01 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 0.00 0.00 0.00 108 P 0.00 5.05 0.00 2.23 2.21 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 109 V 8.84 4.62 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 0.85 0.00 0.00 0.89 0.00 0.00 110 H 9.31 5.22 0.00 3.10 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.62 5.10 1.92 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 1.29 1.26 0.99 0.00 0.00 112 S 10.01 5.06 0.00 3.76 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 0.00 113 G 7.10 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 0.00 114 Q 8.55 5.31 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 115 H 9.32 5.02 0.00 3.33 3.51 0.00 5.57 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.51 5.06 0.00 1.75 1.61 0.95 -0.40 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 0.00 117 V 8.29 4.53 2.21 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 0.64 0.00 0.00 0.89 0.00 0.00 118 A 8.84 4.20 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 * Residues marked with a * may have inaccurate shift predictions.