NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4014 8.2649 123.5935 51.9813 19.9651 176.1480 3 I 4.0548 8.3596 122.8508 59.4117 38.4878 173.5927 4 D 4.5985 8.3934 124.7780 53.1742 42.6401 176.8438 5 V 2.6521 8.3487 127.4514 64.8539 30.7769 177.9169 6 L 4.8372 8.0335 118.9641 56.1168 41.5690 178.0806 7 D 4.5195 7.8894 118.0829 55.4700 41.0955 178.2784 8 V 3.9066 7.2290 117.9176 63.5633 32.3639 175.9188 9 I 4.3378 7.6253 120.0478 58.2739 40.4624 175.3383 10 S 4.6471 8.3159 120.5479 58.0566 64.9912 174.9127 11 L 4.1592 8.4815 124.2342 58.5034 41.9388 179.2669 12 S 4.1552 8.0310 112.7398 61.2896 62.3607 175.9823 13 L 3.9707 7.8106 121.3675 57.4606 40.7605 179.3952 14 F 3.7876 7.8263 117.4572 60.3004 38.6725 177.8201 15 K 4.1498 8.2494 118.1403 59.6980 31.8753 179.4448 16 Q 4.0157 8.0759 118.0808 58.7971 28.3225 178.4718 17 Q 4.0288 7.9278 120.2848 58.7699 29.1424 177.8120 18 I 4.2704 7.2970 109.4725 59.4796 38.2461 175.0031 19 E 3.6857 7.8673 118.2839 57.6439 27.5011 174.9066 20 F 4.6380 8.3307 121.4393 56.6717 39.6054 174.9475 21 E 3.9967 8.2569 129.1615 58.8407 29.6254 177.6108 22 E 4.1954 6.7992 115.1054 55.9478 30.6187 175.8140 23 D 5.0447 8.4040 116.6844 54.2831 42.0395 176.6022 24 D 4.8288 8.1619 118.0452 53.5779 39.7981 176.6182 25 R 4.7672 7.8570 117.7155 55.9864 31.6320 177.1050 26 D 4.4086 8.4040 121.2456 57.4491 40.7191 178.3365 27 E 3.8828 8.0604 118.5805 59.2339 29.6017 178.7629 28 L 3.6286 7.7660 119.7291 58.2476 42.1077 178.7975 29 I 3.8332 7.8086 119.6767 64.8532 37.0389 178.5242 30 T 3.7154 8.1383 116.7335 66.3648 68.1694 176.3503 31 L 3.8928 7.8516 122.1523 58.4344 42.0399 178.5871 32 Y 4.3904 7.7814 116.4019 61.1108 37.7521 178.5989 33 A 3.8051 8.3240 121.6138 55.2427 18.2896 179.6152 34 Q 4.0359 8.4805 116.7276 59.1092 28.7435 179.0990 35 A 4.0703 8.4130 121.5909 55.1621 18.4180 179.5245 36 A 4.1131 8.5678 119.7121 55.2956 18.2899 179.6052 37 F 4.2908 8.4041 118.0280 61.5222 39.6048 176.2596 38 D 4.4657 8.2674 116.4627 57.6730 41.3032 177.2290 39 Y 4.3830 8.4662 120.0749 61.0999 38.7807 179.7517 40 C 4.2363 8.3118 115.6177 60.2010 27.6876 175.9823 *42 R 4.2176 7.9896 121.7535 56.0776 31.7605 177.8845 43 W 3.7071 8.0604 126.5285 60.5063 30.9921 176.9685 44 C 4.2350 8.7045 116.2233 61.2326 28.2894 172.7502 45 D 4.1867 7.0448 116.1679 55.0890 39.3605 173.2999 46 E 4.0230 6.9804 120.2010 53.0893 30.1072 174.1352 47 P 4.1915 0.0000 0.0000 65.2468 31.5710 177.9164 48 A 3.9791 7.3278 119.5709 53.7353 18.2941 177.4927 49 W 4.8583 7.5508 115.6427 55.9043 28.0634 175.7483 50 K 4.4787 9.1521 123.5266 56.4325 33.2850 177.4612 51 V 4.5063 7.6624 116.5656 60.2757 34.9818 175.5341 52 A 3.9243 8.9046 127.5209 55.5556 18.1294 180.0310 53 A 4.0968 7.8682 116.2497 54.7897 18.6201 178.3714 54 D 4.4248 8.0808 115.4689 56.5611 41.1167 176.9009 55 I 2.8844 7.1515 120.6197 59.9558 37.4483 174.9587 56 P 4.2920 0.0000 0.0000 61.9587 33.3777 177.3193 57 A 3.9485 8.4185 121.5128 55.2677 18.3513 180.1499 58 A 4.0078 7.9120 119.0201 55.1687 18.5484 179.8555 59 V 3.6125 7.6685 116.4512 66.1001 31.6479 178.2212 60 K 4.0841 8.0350 118.1645 59.2844 31.8955 179.5373 61 G 3.5737 7.9683 105.5736 47.6987 0.0000 175.6562 62 A 4.0340 7.8907 122.9718 54.8254 18.3463 179.7606 63 V 3.7458 8.0226 116.7928 66.3710 31.5482 178.2541 64 L 4.1749 8.0543 118.6280 57.7326 41.4115 179.5747 65 L 4.0321 7.9013 118.7482 57.8511 41.4069 179.7312 66 V 3.5678 7.7643 116.7692 65.8167 31.5525 177.4380 67 F 4.2822 8.4534 119.1768 61.5040 39.6620 176.5717 68 A 3.9410 8.5156 120.3729 54.9676 17.9754 179.4438 69 D 4.3348 7.8833 114.3662 54.8567 40.9229 177.7627 *71 F 3.8217 7.9988 121.2209 57.3002 40.9745 175.7728 72 E 3.8940 7.9653 118.6778 57.9609 29.5294 175.9840 73 H 4.6985 8.0074 115.7383 54.2446 29.7214 173.5758 74 R 4.2774 8.3897 123.3872 56.1225 29.6642 176.9081 75 T 4.5891 7.3712 107.9731 59.1623 71.1857 175.0035 76 A 4.1715 8.5992 126.4526 54.5167 18.7524 177.6478 77 Q 4.6175 7.3762 111.9899 54.1649 32.5624 174.4350 78 S 4.7443 8.1276 114.1201 56.3532 66.3038 173.9008 79 E 4.0916 8.6900 118.2979 57.9802 29.9174 177.1484 80 V 4.2705 7.3674 112.6817 58.9205 33.4162 175.3529 81 Q 3.8221 8.4866 125.6304 56.1610 29.4550 175.2964 82 L 4.3917 7.8690 124.3092 53.2348 43.5284 175.3297 83 Y 4.6843 7.9118 119.2306 55.6708 40.2996 175.4116 84 E 3.9097 8.7668 125.2509 56.1320 30.3556 175.6206 85 N 4.5740 8.7320 124.8974 52.4667 39.0860 175.2304 86 A 4.0947 8.6686 128.6069 54.7697 18.1497 178.6624 87 A 3.9840 8.4469 118.9547 54.8161 18.4057 179.4723 88 A 4.0439 7.5490 118.5956 55.4713 18.6302 179.1507 89 E 3.7239 7.9647 115.8203 58.6686 31.4814 178.7358 90 R 4.2390 7.6858 119.1130 56.0790 26.0851 176.4442 *93 F 5.0713 7.7962 124.4561 58.1756 41.5236 176.5672 94 I 4.1623 7.7087 109.8227 62.8791 37.4001 175.8811 95 H 5.0543 8.0915 116.9292 55.4790 30.0379 172.9634 96 R 4.1613 7.7610 120.1151 55.8876 30.4824 175.9606 97 N 4.3148 8.4821 122.7554 53.7827 38.8270 174.4383 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 A 8.26 4.40 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 3 I 8.36 4.05 2.30 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.99 0.00 0.00 4 D 8.39 4.60 0.00 2.67 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 5 V 8.35 2.65 1.70 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 0.85 0.00 0.00 0.89 0.00 0.00 6 L 8.03 4.84 0.00 1.69 1.76 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.89 4.52 0.00 2.72 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 8 V 7.23 3.91 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 0.78 0.00 0.00 0.69 0.00 0.00 9 I 7.63 4.34 1.32 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.69 -0.20 0.00 0.00 10 S 8.32 4.65 0.00 4.02 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 11 L 8.48 4.16 0.00 1.81 1.74 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.03 4.16 0.00 3.93 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 13 L 7.81 3.97 0.00 1.66 1.38 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.83 3.79 0.00 3.02 2.39 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 15 K 8.25 4.15 0.00 2.03 2.20 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.72 1.63 7.81 16 Q 8.08 4.02 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 17 Q 7.93 4.03 0.00 2.03 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.02 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 18 I 7.30 4.27 1.51 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.82 0.85 0.00 0.00 19 E 7.87 3.69 0.00 2.17 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 2.28 2.41 0.00 20 F 8.33 4.64 0.00 2.64 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 21 E 8.26 4.00 0.00 1.79 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 0.00 2.25 2.22 0.00 22 E 6.80 4.20 0.00 1.97 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 1.47 2.30 0.00 23 D 8.40 5.04 0.00 2.67 2.73 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 24 D 8.16 4.83 0.00 2.84 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 25 R 7.86 4.77 0.00 2.09 1.94 0.00 3.32 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 26 D 8.40 4.41 0.00 2.71 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 27 E 8.06 3.88 0.00 2.02 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 2.38 2.41 0.00 28 L 7.77 3.63 0.00 1.59 1.65 0.57 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.81 3.83 2.01 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 1.60 0.46 1.12 0.00 0.00 30 T 8.14 3.72 4.33 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 1.16 0.00 0.00 31 L 7.85 3.89 0.00 1.75 1.63 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.78 4.39 0.00 3.25 2.79 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 33 A 8.32 3.81 0.34 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 34 Q 8.48 4.04 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 35 A 8.41 4.07 1.48 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 0.00 0.00 36 A 8.57 4.11 1.66 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 0.00 0.00 37 F 8.40 4.29 0.00 3.15 3.36 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 38 D 8.27 4.47 0.00 2.89 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 39 Y 8.47 4.38 0.00 3.22 3.26 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 0.00 40 C 8.31 4.24 0.00 3.09 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 *42 R 7.99 4.22 0.00 1.81 1.98 0.00 3.29 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.58 0.00 43 W 8.06 3.71 0.00 2.90 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.70 4.23 0.00 3.27 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 45 D 7.04 4.19 0.00 2.65 2.42 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 46 E 6.98 4.02 0.00 1.16 1.12 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 1.47 1.47 0.00 47 P 0.00 4.19 0.00 2.14 2.09 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 48 A 7.33 3.98 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 W 7.55 4.86 0.00 3.45 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 50 K 9.15 4.48 0.00 1.81 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.41 7.81 51 V 7.66 4.51 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 1.15 0.00 0.00 0.97 0.00 0.00 52 A 8.90 3.92 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 53 A 7.87 4.10 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 54 D 8.08 4.42 0.00 2.87 2.88 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 55 I 7.15 2.88 1.70 0.00 0.00 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 1.44 0.83 0.66 0.00 0.00 56 P 0.00 4.29 0.00 1.80 1.76 0.00 2.61 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 57 A 8.42 3.95 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 58 A 7.91 4.01 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 59 V 7.67 3.61 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 1.06 0.00 0.00 1.00 0.00 0.00 60 K 8.04 4.08 0.00 2.01 1.76 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.54 7.81 61 G 7.97 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.03 1.41 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 0.00 0.00 63 V 8.02 3.75 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 1.45 0.00 0.00 1.27 0.00 0.00 64 L 8.05 4.17 0.00 1.98 1.75 0.81 0.25 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 65 L 7.90 4.03 0.00 1.96 1.75 0.96 0.76 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 66 V 7.76 3.57 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 0.75 0.00 0.00 1.02 0.00 0.00 67 F 8.45 4.28 0.00 3.25 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 3.94 1.48 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 0.00 0.00 69 D 7.88 4.33 0.00 2.87 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 *71 F 8.00 3.82 0.00 2.40 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 72 E 7.97 3.89 0.00 1.60 1.66 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 2.52 2.37 0.00 73 H 8.01 4.70 0.00 3.03 3.12 0.00 5.83 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.39 4.28 0.00 1.70 1.89 0.00 3.19 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 75 T 7.37 4.59 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 1.17 0.00 0.00 76 A 8.60 4.17 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 77 Q 7.38 4.62 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 78 S 8.13 4.74 0.00 3.85 3.72 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 79 E 8.69 4.09 0.00 2.08 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 2.25 2.25 0.00 80 V 7.37 4.27 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 0.71 0.00 0.00 0.89 0.00 0.00 81 Q 8.49 3.82 0.00 1.82 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 1.98 1.58 0.00 82 L 7.87 4.39 0.00 1.46 1.38 0.71 0.48 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 83 Y 7.91 4.68 0.00 2.97 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 84 E 8.77 3.91 0.00 1.94 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 2.30 2.30 0.00 85 N 8.73 4.57 0.00 2.78 2.71 0.00 0.00 7.09 8.16 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 86 A 8.67 4.09 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 87 A 8.45 3.98 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 88 A 7.55 4.04 1.27 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 0.00 0.00 0.00 89 E 7.96 3.72 0.00 1.87 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 2.41 2.48 0.00 90 R 7.69 4.24 0.00 1.91 1.89 0.00 3.31 0.00 0.00 2.99 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 *93 F 7.80 5.07 0.00 3.57 3.36 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 94 I 7.71 4.16 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.84 1.07 0.00 0.00 95 H 8.09 5.05 0.00 3.41 3.80 0.00 5.89 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.76 4.16 0.00 1.65 1.49 0.00 2.21 0.00 0.00 2.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.36 0.00 97 N 8.48 4.31 0.00 2.52 2.67 0.00 0.00 7.06 7.63 0.00 0.00 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.