NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5084 8.1076 122.4631 51.2933 21.4755 176.1744 3 Q 4.9620 8.0346 111.4456 53.6454 32.2243 173.8731 4 K 4.4228 9.6258 123.2366 55.6786 35.7213 176.3015 5 T 4.9814 8.5146 124.5754 63.2255 70.2032 174.1492 6 F 5.0543 9.6564 123.3696 56.0462 43.9779 173.5060 7 T 4.9338 8.4420 108.7949 60.5700 71.6572 173.3409 8 V 4.2248 8.3696 126.9806 60.9122 32.8418 176.5633 9 T 4.7423 8.4095 114.5704 61.1668 69.9260 173.6445 10 A 4.3558 7.8767 126.0709 51.5454 19.0424 178.4785 11 D 4.2708 8.9169 123.8309 58.0597 41.0335 178.8157 12 S 4.2993 8.0314 113.3730 58.9698 64.1028 176.3531 13 G 3.7725 8.4277 108.5535 46.3293 0.0000 175.7583 14 I 4.3011 7.4827 115.3255 60.0214 36.9277 173.2723 15 H 4.9483 7.3380 118.9186 54.8556 33.5155 173.0727 16 A 3.6784 8.5380 120.8433 53.6026 18.0585 177.8343 17 R 4.0185 8.5422 111.3152 58.9486 30.2051 176.9791 18 P 4.4642 0.0000 0.0000 64.6369 31.0974 178.0054 19 A 4.2102 7.6433 119.2199 54.5991 19.2713 179.4579 20 T 3.8687 7.9687 113.9939 66.5876 68.3885 177.1911 21 T 3.9222 8.3200 118.6080 66.4680 68.4465 176.3942 22 L 4.1111 7.3227 119.0103 56.8199 41.8772 177.8483 23 V 4.0813 7.5262 117.1982 64.6347 31.9786 176.9562 24 Q 3.8077 7.7973 117.5634 57.4414 29.0401 175.4931 25 A 4.6892 7.8773 121.9508 51.9725 19.4543 177.5340 26 A 4.8469 7.8173 121.1484 53.7767 21.4001 178.2057 27 S 4.4604 7.5876 109.7350 59.4087 62.9609 175.7397 28 K 3.9787 7.5818 120.2975 58.7182 32.2846 177.8506 29 F 4.2380 7.6275 116.7958 58.2506 39.3352 174.6961 30 D 4.9691 8.7741 118.1230 54.1513 42.2963 176.9844 31 S 4.5301 7.5568 116.1275 59.0288 63.9570 173.6430 32 D 4.8163 8.1236 123.2774 53.8543 43.6638 174.9365 33 I 5.0481 8.2583 124.4917 59.7841 39.8149 174.8194 34 N 5.2981 9.3459 122.4670 51.6084 43.1468 173.0211 35 L 4.9357 8.3259 123.5553 53.3957 44.7121 174.9256 36 E 5.5523 8.9304 125.3127 53.5508 32.5709 173.7416 37 F 5.1381 8.7370 129.5520 56.9577 42.3227 174.5565 38 N 3.8652 9.5001 123.0722 54.4108 37.1838 174.3177 39 G 3.8960 8.5531 100.6181 45.1880 0.0000 173.7949 40 K 4.5999 8.1270 119.4415 54.4829 34.1062 175.3486 41 T 5.1528 8.2957 118.6697 60.7428 71.2797 173.4232 42 V 4.4579 8.2430 124.6205 60.6987 35.8803 172.4647 43 N 4.8123 8.9575 123.9334 52.9467 38.5399 174.4168 44 L 4.0121 8.2173 128.2868 56.9050 42.9008 177.7959 45 K 4.2535 8.0033 119.8259 55.8410 30.7378 175.7397 *47 I 4.1501 7.1128 122.7902 61.2108 40.1688 177.0454 48 M 4.2092 7.9785 119.5815 58.0386 31.6947 179.0984 49 G 3.5929 7.9450 105.7766 47.7399 0.0000 175.9566 50 V 3.6991 7.6736 120.3833 65.4308 31.4900 177.3997 51 M 4.2032 8.6227 117.4911 56.9768 32.0300 178.0888 52 S 4.3822 7.6031 114.0537 60.7531 63.5774 176.2306 53 L 4.2345 7.3558 121.4836 56.8628 42.8853 176.5522 54 G 3.5620 7.2718 105.3359 45.9859 0.0000 173.6542 55 I 3.3472 6.9810 120.0098 60.1092 37.6818 176.8740 56 Q 4.4818 8.0762 130.2533 55.5896 28.2680 175.5175 57 K 4.4412 8.4844 118.3999 55.7008 34.3989 176.1248 58 G 3.7823 9.2401 112.5409 46.2728 0.0000 172.7705 59 A 4.9139 7.7342 121.9174 49.7539 21.0175 177.2510 60 T 4.9700 8.9860 114.1045 61.4463 69.7786 174.0856 61 I 5.0544 8.4910 117.5777 59.5092 41.8893 173.7812 62 T 4.8866 8.4825 120.4809 62.0082 71.4375 173.1733 63 I 4.4754 8.6235 127.9110 60.2093 38.9471 174.8791 64 S 5.1587 9.4277 124.6558 56.7003 64.9065 173.1719 65 A 5.1137 9.1686 127.5652 50.2378 20.5953 175.9247 66 E 4.5372 8.6168 122.2264 54.1307 32.5234 175.1090 67 G 4.2276 7.9262 112.4290 45.5892 0.0000 171.7963 68 S 4.4433 8.8863 114.6432 59.1870 63.6544 174.5604 69 D 4.7075 8.1194 121.1279 51.1313 39.0721 176.5475 70 E 3.8088 8.1168 121.6288 60.2745 29.7835 178.4213 71 A 3.9647 7.9894 119.8345 55.8063 18.5303 179.3072 72 D 4.3282 8.0258 116.2352 57.3358 40.9371 178.7026 73 A 2.0000 7.2116 120.7636 54.1803 18.2381 179.3538 74 L 3.9350 8.0131 117.1332 57.0681 42.2044 178.5271 75 A 4.3019 7.5242 120.4210 55.1919 19.2639 179.3277 76 A 4.5217 7.7852 119.9915 54.7403 18.3763 179.8423 77 L 4.0304 8.0305 117.8160 57.8800 41.5950 179.5039 78 E 4.0619 7.9782 118.8691 59.3797 29.2625 179.0513 79 D 4.3187 7.9830 118.3600 57.9308 40.8112 178.5913 80 T 3.8894 8.5643 116.4361 66.9811 68.3490 176.2714 81 M 3.8681 8.1377 120.3518 58.6836 32.5895 178.4615 82 S 4.2569 8.1010 113.7922 60.6218 63.1256 175.8559 83 K 4.2433 8.4462 121.3780 57.9058 32.1141 177.2621 84 E 4.4129 7.4886 116.3120 55.2403 30.5574 175.9716 85 G 3.8356 7.3879 105.5020 46.5544 0.0000 175.0753 86 L 3.8589 8.0172 120.3307 54.6331 41.3052 179.9383 87 G 4.5039 8.0403 114.9648 44.7422 0.0000 173.2190 88 E 4.3358 8.9333 119.7811 56.6838 29.8875 174.8777 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 8.11 4.51 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 3 Q 8.03 4.96 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 4 K 9.63 4.42 0.00 1.93 1.90 0.00 1.43 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.52 1.19 7.81 5 T 8.51 4.98 4.22 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 1.28 0.00 0.00 6 F 9.66 5.05 0.00 2.88 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 7 T 8.44 4.93 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 1.25 0.00 0.00 8 V 8.37 4.22 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 0.81 0.00 0.00 0.95 0.00 0.00 9 T 8.41 4.74 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 1.23 0.00 0.00 10 A 7.88 4.36 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 11 D 8.92 4.27 0.00 2.65 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 12 S 8.03 4.30 0.00 3.84 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 13 G 8.43 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 14 I 7.48 4.30 1.68 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.81 0.00 0.00 15 H 7.34 4.95 0.00 3.12 3.14 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.54 3.68 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 17 R 8.54 4.02 0.00 1.86 2.00 0.00 3.41 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 18 P 0.00 4.46 0.00 2.12 2.08 0.00 3.74 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 2.10 2.14 0.00 19 A 7.64 4.21 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 20 T 7.97 3.87 4.23 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 1.21 0.00 0.00 21 T 8.32 3.92 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 1.21 0.00 0.00 22 L 7.32 4.11 0.00 1.70 1.64 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.53 4.08 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 0.96 0.00 0.00 1.03 0.00 0.00 24 Q 7.80 3.81 0.00 2.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.26 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 25 A 7.88 4.69 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 26 A 7.82 4.85 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 27 S 7.59 4.46 0.00 3.71 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 28 K 7.58 3.98 0.00 1.34 1.50 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.26 7.81 29 F 7.63 4.24 0.00 3.07 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 30 D 8.77 4.97 0.00 2.59 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 31 S 7.56 4.53 0.00 4.01 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 32 D 8.12 4.82 0.00 2.81 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 33 I 8.26 5.05 1.88 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 1.29 0.76 0.94 0.00 0.00 34 N 9.35 5.30 0.00 2.54 2.64 0.00 0.00 6.37 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.33 4.94 0.00 1.74 1.50 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.93 5.55 0.00 2.06 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 2.40 2.22 0.00 37 F 8.74 5.14 0.00 3.03 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 38 N 9.50 3.87 0.00 1.44 2.24 0.00 0.00 7.18 7.98 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 39 G 8.55 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 40 K 8.13 4.60 0.00 1.89 1.72 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.54 7.81 41 T 8.30 5.15 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 1.28 0.00 0.00 42 V 8.24 4.46 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 0.95 0.00 0.00 43 N 8.96 4.81 0.00 2.76 2.80 0.00 0.00 7.28 7.78 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 44 L 8.22 4.01 0.00 1.80 1.84 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.00 4.25 0.00 1.92 1.78 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.41 7.81 *47 I 7.11 4.15 1.87 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 1.41 1.23 0.91 0.00 0.00 48 M 7.98 4.21 0.00 2.10 2.13 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 2.70 2.63 0.00 49 G 7.95 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 0.00 0.00 0.00 50 V 7.67 3.70 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 1.02 0.00 0.00 0.92 0.00 0.00 51 M 8.62 4.20 0.00 2.00 2.11 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 2.66 2.70 0.00 52 S 7.60 4.38 0.00 4.04 4.19 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 53 L 7.36 4.23 0.00 1.96 1.83 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.27 3.56 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 0.00 0.00 0.00 55 I 6.98 3.35 1.55 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.02 0.37 0.00 0.00 56 Q 8.08 4.48 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 57 K 8.48 4.44 0.00 1.69 1.70 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.32 1.39 7.81 58 G 9.24 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 0.00 0.00 0.00 59 A 7.73 4.91 1.26 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 0.00 0.00 60 T 8.99 4.97 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 1.26 0.00 0.00 61 I 8.49 5.05 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.98 0.95 0.00 0.00 62 T 8.48 4.89 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 1.30 0.00 0.00 63 I 8.62 4.48 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.58 0.89 0.00 0.00 64 S 9.43 5.16 0.00 3.71 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 65 A 9.17 5.11 1.10 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 0.00 0.00 66 E 8.62 4.54 0.00 1.80 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 2.21 2.23 0.00 67 G 7.93 4.23 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 0.00 68 S 8.89 4.44 0.00 4.01 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 69 D 8.12 4.71 0.00 3.02 2.89 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 70 E 8.12 3.81 0.00 2.00 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 2.44 2.58 0.00 71 A 7.99 3.96 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 72 D 8.03 4.33 0.00 3.02 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 73 A 7.21 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.01 3.93 0.00 1.58 1.66 1.01 1.10 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 75 A 7.52 4.30 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 76 A 7.79 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.03 4.03 0.00 1.69 1.67 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.98 4.06 0.00 2.28 2.17 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 2.91 2.79 0.00 79 D 7.98 4.32 0.00 2.95 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 80 T 8.56 3.89 4.39 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 1.20 0.00 0.00 81 M 8.14 3.87 0.00 2.05 1.70 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 82 S 8.10 4.26 0.00 4.15 4.17 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 83 K 8.45 4.24 0.00 1.88 1.90 0.00 1.57 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.46 7.81 84 E 7.49 4.41 0.00 2.12 1.94 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 2.49 2.34 0.00 85 G 7.39 3.84 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 0.00 86 L 8.02 3.86 0.00 1.64 1.41 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.04 4.50 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 0.00 88 E 8.93 4.34 0.00 1.94 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 2.25 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.