NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5348 8.4201 119.1932 53.4726 41.1721 174.8486 0 A 3.9312 7.4046 127.4889 51.9610 16.5214 174.4186 2 R 4.1153 8.5345 119.8026 55.5365 30.9405 174.7577 3 W 4.6474 8.0949 121.4421 56.8924 30.3554 174.6810 4 N 5.3876 10.3286 124.7022 52.5344 39.9252 173.4839 5 I 5.1062 9.3755 127.8659 59.6741 40.6007 174.1876 6 C 4.6881 8.7043 126.5857 57.3791 33.9709 172.4121 7 V 4.5586 8.8008 126.9779 61.4263 33.1333 174.4318 8 V 4.4912 8.5995 129.3101 63.4417 33.2544 175.0356 9 G 4.2465 9.4515 117.6599 46.3348 0.0000 173.3202 10 A 4.7889 8.9835 128.5888 52.0988 19.7841 178.2365 11 G 3.9788 7.6188 108.3004 45.3735 0.0000 173.7818 12 K 3.8787 8.5962 120.4183 60.0195 32.3331 179.7152 13 I 3.9646 7.7227 118.0727 64.0167 37.2760 178.0882 14 G 4.1968 7.9751 107.5785 47.2657 0.0000 176.4671 15 Q 4.2992 8.1850 118.3058 56.1837 28.4506 178.1674 *17 I 3.9567 7.8015 122.4958 60.9733 40.1202 177.2451 18 A 3.9526 8.3138 122.0389 55.3576 18.1214 179.5701 19 A 4.0111 8.0424 119.1038 54.8828 18.1799 179.4952 20 L 3.8238 7.7880 117.6022 58.4205 42.5250 178.8189 21 L 4.0509 8.0018 118.8529 57.6357 41.3526 179.2027 22 K 3.9013 8.2695 119.0442 59.9622 32.1661 178.4799 23 T 4.1310 7.7743 108.2640 62.9387 69.1260 175.1227 24 S 4.4847 7.2371 116.2510 58.2594 63.8553 174.3108 25 S 4.4992 8.5436 116.1511 59.5445 63.4079 174.6577 26 N 4.7750 8.1173 116.7703 53.0430 39.6076 173.7208 27 Y 5.3758 8.0274 116.1041 56.3415 42.1789 174.9386 28 S 5.1288 9.6422 118.0707 56.7787 66.5968 173.5790 29 V 5.1041 8.4434 121.5842 60.3861 34.4262 174.7666 30 T 4.9580 8.9762 119.4850 61.7988 72.4961 172.8247 31 V 4.7924 8.8525 125.2236 61.0534 34.2093 173.9495 32 A 5.7186 8.9383 129.6053 49.7256 21.5921 174.7882 33 D 4.9369 8.3099 120.0359 53.5127 44.5705 175.5437 34 H 4.8664 8.8079 116.4261 56.3259 29.4602 175.1898 35 D 4.6440 8.1420 120.8601 52.7564 41.9798 176.6801 36 L 4.0354 8.4375 128.0280 57.5592 41.6580 179.3236 37 A 3.9639 8.1144 120.3386 55.0207 18.3583 179.1023 38 A 3.9417 8.4138 119.4019 55.5584 18.2963 179.9462 39 L 3.8878 7.9320 117.0914 57.5879 41.6256 179.2171 40 A 3.9571 7.9719 120.9160 55.4485 18.0199 179.3448 41 V 3.4929 7.2634 114.6511 66.7107 31.7347 177.7384 42 L 4.1196 7.5602 117.5855 58.1408 41.2955 179.5250 43 N 4.3999 8.3006 115.5444 55.7191 38.9987 176.4807 44 R 4.3621 7.9098 120.2404 56.0066 29.8875 177.3502 *46 G 3.8255 7.7267 103.3220 45.0629 0.0000 172.3672 47 V 4.3612 7.7825 119.6099 60.5873 32.8212 175.7484 48 A 4.3841 8.6695 129.8311 52.4810 19.5038 176.1513 49 T 5.6571 8.2432 110.1077 59.1704 72.9366 173.0530 50 K 4.5660 8.1825 121.4643 55.3359 35.7277 174.1205 51 Q 5.4217 8.6400 128.7545 55.3266 30.3450 174.8230 52 V 4.6708 8.1022 117.5884 60.0195 37.3433 173.8125 53 D 4.7665 8.3485 120.1132 53.1722 43.3672 175.6167 54 A 4.1848 8.8899 129.3774 54.0203 18.6577 177.9997 55 K 4.1058 8.2463 114.5810 57.6642 32.4444 177.5215 56 D 4.7593 7.8124 119.3635 52.1474 40.7059 175.8727 57 E 4.0412 8.3917 125.3721 58.8889 29.7894 178.5380 58 A 4.0672 8.0169 120.4813 54.9412 18.5708 179.4158 59 G 3.8283 8.3433 105.2080 47.2439 0.0000 175.3430 60 L 3.9279 8.1803 123.0420 57.5551 41.9194 178.5204 61 A 4.1639 7.9893 119.7572 55.5492 18.6480 179.5217 62 K 4.0911 8.2460 116.4316 59.5614 31.8865 179.5513 63 A 4.1601 8.4189 120.4936 54.6843 18.1114 178.7234 64 L 4.5840 8.1430 115.8758 54.2139 42.1249 177.1997 65 G 3.8179 7.2503 108.7044 47.1293 0.0000 174.3000 66 G 3.7634 8.9594 110.0954 45.0970 0.0000 173.0198 67 F 4.8545 7.2159 117.4716 55.5467 41.1929 175.8233 68 D 4.7970 9.3077 124.6132 57.4081 41.7410 176.2052 69 A 5.1996 8.0284 117.4697 50.6926 23.2681 175.1261 70 V 4.7232 9.0950 119.6013 61.1628 34.7274 174.3371 71 I 4.8788 8.6643 129.1674 59.4177 39.3903 174.9745 72 S 4.5794 8.6583 122.9667 57.7603 63.5843 174.0784 73 A 5.1037 9.3954 129.8586 51.8620 20.1013 175.1000 74 A 4.7088 7.9913 120.2193 50.5357 22.9311 175.5217 75 P 4.3630 0.0000 0.0000 62.0923 32.0279 177.8340 76 F 4.1716 8.9423 117.3319 60.4370 37.1078 177.5318 77 F 4.2369 6.1982 112.3858 58.2785 37.9882 176.0936 78 L 4.4954 7.3059 119.0665 55.0341 41.7040 178.1297 79 T 3.9020 7.8065 117.9267 66.3244 68.5305 174.4996 80 P 4.1960 0.0000 0.0000 65.5110 31.3642 178.7764 81 I 3.6553 7.5873 118.0332 64.5346 37.1073 178.4781 82 I 3.6547 7.9509 120.7009 64.1754 36.8537 178.3816 83 A 2.9379 7.7482 122.0437 54.5619 17.9923 179.6226 84 K 3.7881 7.8070 117.7252 59.5159 32.2302 179.0130 85 A 3.9344 7.9793 120.9347 54.9006 18.2207 179.3859 86 A 3.9626 8.2522 119.7532 55.2421 18.5211 179.7928 87 K 3.8512 8.2056 117.9230 59.6911 32.0902 178.8599 88 A 4.0317 8.0569 119.7448 54.9046 18.3759 178.6855 89 A 4.2969 8.0509 116.9273 52.1494 18.7406 178.0053 90 G 3.7877 7.9174 104.9250 45.9661 0.0000 173.2223 91 A 4.8651 7.8797 120.4896 49.7833 21.2506 177.6562 92 H 4.4717 8.6895 118.1448 56.1323 30.2858 173.8250 93 Y 5.2273 8.6600 122.0634 55.8328 41.2322 174.3138 94 F 4.3743 8.8252 129.5227 55.6677 41.4819 175.4337 95 D 4.5124 7.2615 131.0007 53.0223 40.1819 175.8787 96 L 3.7090 7.3206 125.2808 58.2100 42.8216 177.7661 97 T 3.7299 7.7232 104.8404 60.8826 69.0527 171.5133 98 E 4.0381 8.4507 118.8310 58.4596 30.1017 177.3463 99 D 4.4506 7.6198 118.4598 52.0330 43.0264 175.2575 100 V 3.5818 8.2769 126.8836 65.4935 31.7341 177.3524 101 A 3.9103 8.0029 119.9283 55.1286 18.3000 179.3384 102 A 3.8898 8.4912 119.4440 55.5596 18.4720 180.0305 103 T 3.6114 7.9538 114.2335 66.8338 68.4465 176.6378 104 N 4.3598 8.6734 118.5005 56.2756 38.5162 177.3516 105 A 3.9193 7.8631 122.2613 54.8596 18.4627 179.8622 106 V 3.3507 7.7491 116.9372 66.1181 31.4103 178.3153 107 R 3.8612 8.3913 117.8893 59.2943 29.8346 178.8795 108 A 3.9695 8.2080 120.5573 55.2295 18.1572 179.1157 109 L 3.9041 7.6377 116.0986 58.3824 41.8400 179.5151 110 V 3.6363 7.6326 117.3400 66.1503 31.4112 177.2977 111 E 4.3590 7.5550 116.4511 57.5427 31.0292 177.2684 112 D 4.7691 8.4991 120.5289 53.8823 38.5947 176.5609 113 S 4.2087 7.4988 119.2984 58.8824 64.0541 174.7087 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 N 8.42 4.53 0.00 2.64 2.78 0.00 0.00 6.96 7.08 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 A 7.40 3.93 1.24 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 0.00 0.00 2 R 8.53 4.12 0.00 1.92 2.05 0.00 3.19 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 3 W 8.09 4.65 0.00 3.02 3.05 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 4 N 10.33 5.39 0.00 2.87 2.83 0.00 0.00 6.63 7.96 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 5 I 9.38 5.11 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 1.45 0.93 0.87 0.00 0.00 6 C 8.70 4.69 0.00 1.23 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 7 V 8.80 4.56 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 0.73 0.00 0.00 0.88 0.00 0.00 8 V 8.60 4.49 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 0.88 0.00 0.00 0.91 0.00 0.00 9 G 9.45 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 0.00 0.00 0.00 0.00 10 A 8.98 4.79 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 11 G 7.62 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 12 K 8.60 3.88 0.00 1.76 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.54 7.81 13 I 7.72 3.96 1.86 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 1.56 0.64 0.96 0.00 0.00 14 G 7.98 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 0.00 0.00 0.00 0.00 15 Q 8.18 4.30 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.33 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 *17 I 7.80 3.96 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 0.94 0.00 0.00 18 A 8.31 3.95 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 19 A 8.04 4.01 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 20 L 7.79 3.82 0.00 1.58 1.82 0.89 0.88 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 21 L 8.00 4.05 0.00 1.84 1.72 0.83 0.10 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 22 K 8.27 3.90 0.00 1.81 2.02 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 23 T 7.77 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 1.26 0.00 0.00 24 S 7.24 4.48 0.00 4.23 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 25 S 8.54 4.50 0.00 3.89 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 26 N 8.12 4.78 0.00 2.52 2.49 0.00 0.00 6.89 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 27 Y 8.03 5.38 0.00 2.75 2.87 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 28 S 9.64 5.13 0.00 3.92 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 29 V 8.44 5.10 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 0.84 0.00 0.00 0.93 0.00 0.00 30 T 8.98 4.96 4.35 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 1.35 0.00 0.00 31 V 8.85 4.79 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 0.98 0.00 0.00 0.92 0.00 0.00 32 A 8.94 5.72 1.17 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 0.00 0.00 33 D 8.31 4.94 0.00 2.66 2.41 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 0.00 0.00 0.00 0.00 34 H 8.81 4.87 0.00 3.33 3.51 0.00 5.17 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.14 4.64 0.00 2.51 2.61 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 36 L 8.44 4.04 0.00 1.73 1.70 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.11 3.96 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 38 A 8.41 3.94 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 39 L 7.93 3.89 0.00 1.88 1.72 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.97 3.96 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 41 V 7.26 3.49 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 0.86 0.00 0.00 1.02 0.00 0.00 42 L 7.56 4.12 0.00 2.04 1.72 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.30 4.40 0.00 2.77 2.89 0.00 0.00 7.10 8.51 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 44 R 7.91 4.36 0.00 1.95 1.94 0.00 3.19 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 *46 G 7.73 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 47 V 7.78 4.36 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 0.79 0.00 0.00 0.94 0.00 0.00 48 A 8.67 4.38 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 49 T 8.24 5.66 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 1.24 0.00 0.00 50 K 8.18 4.57 0.00 1.88 1.67 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.49 7.81 51 Q 8.64 5.42 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 52 V 8.10 4.67 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 0.85 0.00 0.00 0.97 0.00 0.00 53 D 8.35 4.77 0.00 2.76 2.48 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 0.00 0.00 0.00 0.00 54 A 8.89 4.18 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 55 K 8.25 4.11 0.00 1.92 1.87 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.36 7.81 56 D 7.81 4.76 0.00 2.77 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 57 E 8.39 4.04 0.00 2.04 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 2.39 2.37 0.00 58 A 8.02 4.07 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 59 G 8.34 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 60 L 8.18 3.93 0.00 1.87 1.82 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.99 4.16 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 62 K 8.25 4.09 0.00 2.10 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 63 A 8.42 4.16 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 64 L 8.14 4.58 0.00 1.89 1.81 0.94 0.87 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 65 G 7.25 3.82 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 0.00 0.00 0.00 66 G 8.96 3.76 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 0.00 0.00 0.00 67 F 7.22 4.85 0.00 3.10 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 68 D 9.31 4.80 0.00 3.01 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 69 A 8.03 5.20 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 70 V 9.09 4.72 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 1.05 0.00 0.00 0.98 0.00 0.00 71 I 8.66 4.88 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.52 1.00 0.00 0.00 72 S 8.66 4.58 0.00 4.13 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 73 A 9.40 5.10 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 74 A 7.99 4.71 1.16 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 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.36 0.00 0.49 1.24 0.00 3.34 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.75 0.00 76 F 8.94 4.17 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 77 F 6.20 4.24 0.00 2.88 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 78 L 7.31 4.50 0.00 1.67 1.66 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.81 3.90 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 1.43 0.00 0.00 80 P 0.00 4.20 0.00 2.15 2.09 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 81 I 7.59 3.66 1.98 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 1.62 0.54 0.93 0.00 0.00 82 I 7.95 3.65 1.83 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 1.45 0.81 1.02 0.00 0.00 83 A 7.75 2.94 0.75 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 0.00 0.00 84 K 7.81 3.79 0.00 1.92 1.91 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 85 A 7.98 3.93 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 86 A 8.25 3.96 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 3.85 0.00 1.91 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 A 8.06 4.03 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 89 A 8.05 4.30 1.53 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 90 G 7.92 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 91 A 7.88 4.87 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 92 H 8.69 4.47 0.00 3.15 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.66 5.23 0.00 2.92 2.90 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 94 F 8.83 4.37 0.00 2.88 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 95 D 7.26 4.51 0.00 2.53 2.37 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 96 L 7.32 3.71 0.00 1.71 1.93 0.95 1.13 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 97 T 7.72 3.73 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 1.26 0.00 0.00 98 E 8.45 4.04 0.00 2.09 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 2.28 2.24 0.00 99 D 7.62 4.45 0.00 2.83 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 0.00 100 V 8.28 3.58 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 0.82 0.00 0.00 0.91 0.00 0.00 101 A 8.00 3.91 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 0.00 102 A 8.49 3.89 1.44 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 0.00 0.00 103 T 7.95 3.61 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 1.20 0.00 0.00 104 N 8.67 4.36 0.00 2.84 2.83 0.00 0.00 6.95 7.50 0.00 0.00 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 A 7.86 3.92 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 0.00 106 V 7.75 3.35 1.79 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 0.78 0.00 0.00 0.14 0.00 0.00 107 R 8.39 3.86 0.00 1.95 1.93 0.00 3.28 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 108 A 8.21 3.97 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 0.00 109 L 7.64 3.90 0.00 1.78 1.72 0.92 0.67 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 0.00 110 V 7.63 3.64 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 0.82 0.00 0.00 0.98 0.00 0.00 111 E 7.56 4.36 0.00 2.02 1.96 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 2.53 2.42 0.00 112 D 8.50 4.77 0.00 2.64 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 0.00 113 S 7.50 4.21 0.00 3.89 3.67 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 * Residues marked with a * may have inaccurate shift predictions.