NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6236 8.2116 122.9731 47.4721 21.1184 175.3421 2 K 3.5592 7.8866 119.3567 55.0608 30.4035 174.2622 3 Q 4.0175 8.1355 123.8154 58.6157 29.3159 177.8251 4 S 4.1362 8.0787 114.6277 61.7149 62.5023 176.5148 5 M 4.0682 8.3074 122.5691 58.0382 31.9813 178.6115 6 K 3.9219 8.0587 118.8220 58.9467 32.1156 178.6120 7 A 3.9351 7.9888 121.4708 55.2813 18.1850 179.4839 8 R 3.8167 7.6171 116.0034 59.5551 29.9170 178.1785 9 E 3.9823 7.9380 117.3604 58.2550 29.4781 179.0660 10 V 3.5854 7.5402 118.6270 65.7854 31.4946 177.8997 11 K 4.0598 7.8864 119.0965 58.9063 31.7297 179.2225 12 R 4.5369 7.1012 119.0824 58.9497 30.5291 178.7979 13 V 3.7427 7.6075 117.1918 65.1649 31.2915 177.7739 14 A 4.1734 7.6116 119.9523 54.3310 18.1536 178.3182 15 L 4.7607 7.3491 116.0302 54.6290 42.1575 176.5893 16 A 5.1606 7.5707 120.6574 51.6816 19.3075 177.6491 17 D 5.0179 8.2193 119.1374 56.4003 46.2300 177.6833 18 K 3.7789 8.3602 117.8389 58.1820 32.4090 176.8498 19 Y 4.3654 7.7332 114.2425 59.4479 39.8619 176.8612 20 F 4.6784 8.2422 116.1447 57.8074 40.9583 177.1543 21 A 4.4627 8.1683 130.7840 52.8926 16.9726 180.7348 22 K 4.2713 9.1856 126.8534 58.7834 32.8248 178.2678 23 R 4.1657 7.8485 116.1003 57.1889 30.3099 176.9354 24 A 4.3813 7.9197 120.1639 53.4686 18.6569 177.6704 25 E 4.7231 7.7376 110.6533 54.7561 31.8239 177.0955 26 L 4.0072 8.0860 122.3187 58.3073 42.4440 178.3737 27 K 4.2243 7.9839 116.3997 58.1557 32.9343 178.6508 28 A 4.0155 7.5229 121.9850 55.5657 18.2547 179.6602 29 I 4.6461 7.7217 117.1095 63.0176 37.3111 176.9005 30 I 4.4858 7.3041 120.0754 61.0142 37.1983 177.0290 31 S 4.4772 8.5731 117.2345 58.0433 65.2919 173.9468 32 D 4.7759 7.7175 119.4010 51.3207 41.1484 176.5647 33 V 4.0861 7.9328 119.4869 62.4240 29.2010 172.8003 34 N 4.6998 8.0405 121.5684 53.9505 45.7800 174.6402 *40 R 4.7422 7.6275 114.3267 56.2310 31.1777 174.5573 41 W 4.2937 8.2146 125.5561 56.5512 33.3736 173.5985 42 N 4.2727 8.5417 125.1446 57.4543 38.6352 175.8153 43 A 4.3119 8.7841 121.4653 53.9609 18.7836 178.4266 44 V 3.9337 8.1143 116.0281 65.1630 32.0873 178.1985 45 L 4.2533 7.4417 118.2075 55.4502 41.3852 178.0254 46 K 4.4920 7.9301 118.7582 57.2396 34.7555 178.7387 47 L 3.9752 7.5858 119.2290 57.4728 42.1389 177.5928 48 Q 3.9842 8.1796 118.7556 59.0332 29.4300 177.1787 49 T 4.3383 7.2500 116.6854 62.3837 67.2150 174.2538 50 L 4.3452 7.5799 124.8275 56.3869 43.4895 176.1736 51 P 4.6370 0.0000 0.0000 63.2796 32.9630 175.9754 52 R 4.4280 7.4139 110.0925 55.0891 30.8217 174.7513 53 D 4.5393 7.1836 112.5776 53.8641 43.2984 174.4067 54 S 4.7875 7.8655 112.2526 56.5710 64.6253 173.2487 55 S 4.6523 8.0501 116.3936 57.0326 64.7688 176.3419 56 P 4.6068 0.0000 0.0000 62.9114 30.4341 177.3359 57 S 4.4936 8.8175 115.3261 60.4938 66.4165 175.4042 58 R 4.3708 7.9392 114.6709 56.4469 29.8077 175.6925 59 Q 4.8842 6.9805 119.4011 56.5862 32.0590 173.5504 60 R 4.3727 7.7329 117.3753 57.2296 32.8497 172.7202 61 N 4.5131 8.1687 109.4224 54.1810 38.9362 174.0549 62 R 3.7947 6.9121 120.4555 53.7416 29.9756 175.4854 63 C 4.0632 8.3688 119.5054 60.1636 31.2988 174.6594 64 R 4.2344 8.3946 125.9852 57.4314 30.0672 177.1890 65 Q 4.3715 8.0462 118.3292 56.6965 30.0673 175.0363 66 T 4.2907 8.8285 104.9553 62.4068 71.0137 173.4157 67 G 3.4999 8.0275 111.8077 43.9700 0.0000 172.7587 68 R 4.1057 7.5796 121.4486 55.1694 30.0794 175.0277 69 P 4.1341 0.0000 0.0000 64.8889 31.6450 176.8279 70 H 4.9554 7.0748 115.1243 53.3171 32.2206 172.4316 71 G 3.8209 9.0078 103.4673 46.1030 0.0000 171.7783 72 F 5.0562 7.7234 111.9155 55.4491 41.9788 174.3146 73 L 4.2089 7.5921 119.6040 52.5008 44.2687 178.6440 74 R 4.1599 7.9106 121.3367 58.8887 30.3114 178.6367 75 K 3.7886 7.9782 117.3875 58.0422 32.6106 176.6189 76 F 4.4412 8.2312 114.6402 59.3356 41.0908 176.5600 77 G 4.3049 9.5936 107.6412 45.1707 0.0000 172.2161 78 L 5.3444 7.8328 118.6101 52.8381 45.7314 175.4236 79 S 5.2462 8.4919 114.2162 56.6953 64.4657 175.8055 80 R 3.7627 8.6133 120.0713 59.5397 28.8037 178.7055 81 I 3.8059 7.7515 111.0949 62.3390 37.4421 176.7615 82 K 4.4437 8.5740 119.9931 56.7710 33.4313 178.4965 83 V 3.3365 7.3500 118.6263 65.7691 31.5497 177.7677 84 R 3.8556 8.1209 118.8242 59.3935 29.8048 177.8814 85 E 4.0268 8.1942 116.1664 57.7899 30.0126 177.0354 86 A 4.5274 7.2724 119.0099 54.2815 20.3530 178.4632 87 A 4.0852 8.6744 118.9450 55.4460 18.4091 179.0675 88 M 4.4633 7.8931 114.1693 55.6619 32.0083 177.3280 89 R 4.5312 8.0915 116.9417 55.4406 28.7222 176.2269 90 G 4.0836 8.6068 104.2742 47.4640 0.0000 175.9362 91 E 4.1679 7.9617 119.5169 57.7914 29.7084 176.9794 92 I 4.5319 6.9004 117.1733 58.2916 39.2902 173.7575 93 P 4.1601 0.0000 0.0000 63.7045 31.5023 174.3584 94 G 3.6697 7.5426 113.5034 44.4936 0.0000 175.9304 95 L 3.6388 6.9396 120.6213 55.6094 40.4066 176.5004 96 K 4.5320 7.7545 126.0234 55.9605 33.8222 176.9450 97 K 4.3881 8.4230 117.6728 54.9799 34.2926 175.3434 98 A 4.4014 7.7425 123.4954 51.5859 20.6233 177.4212 99 S 4.6279 7.5423 111.4226 56.9296 64.5564 176.1493 100 W 4.7968 7.7292 122.6022 56.7887 28.0458 174.7062 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 A 8.21 4.62 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 2 K 7.89 3.56 0.00 2.02 1.77 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 3 Q 8.14 4.02 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 4 S 8.08 4.14 0.00 4.03 4.12 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 0.00 0.00 0.00 5 M 8.31 4.07 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 6 K 8.06 3.92 0.00 1.79 1.92 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.47 7.81 7 A 7.99 3.94 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 8 R 7.62 3.82 0.00 1.92 2.04 0.00 3.07 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 9 E 7.94 3.98 0.00 2.02 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 2.28 2.55 0.00 10 V 7.54 3.59 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 0.99 0.00 0.00 0.96 0.00 0.00 11 K 7.89 4.06 0.00 1.84 1.79 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 12 R 7.10 4.54 0.00 2.05 1.96 0.00 3.16 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.68 0.00 13 V 7.61 3.74 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 1.03 0.00 0.00 1.02 0.00 0.00 14 A 7.61 4.17 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 15 L 7.35 4.76 0.00 1.61 1.66 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.57 5.16 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 17 D 8.22 5.02 0.00 2.86 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 18 K 8.36 3.78 0.00 1.95 1.87 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.55 7.81 19 Y 7.73 4.37 0.00 2.82 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 20 F 8.24 4.68 0.00 3.14 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 21 A 8.17 4.46 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 22 K 9.19 4.27 0.00 1.83 1.86 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.46 7.81 23 R 7.85 4.17 0.00 1.98 1.92 0.00 3.16 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 24 A 7.92 4.38 1.59 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 25 E 7.74 4.72 0.00 2.17 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 0.00 2.29 2.49 0.00 26 L 8.09 4.01 0.00 1.84 1.73 0.91 0.70 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 27 K 7.98 4.22 0.00 2.10 2.05 0.00 1.48 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.57 7.81 28 A 7.52 4.02 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 29 I 7.72 4.65 1.90 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 1.67 1.66 0.94 0.00 0.00 30 I 7.30 4.49 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 1.07 0.00 0.00 31 S 8.57 4.48 0.00 3.92 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 32 D 7.72 4.78 0.00 2.86 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 33 V 7.93 4.09 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 0.78 0.00 0.00 0.93 0.00 0.00 34 N 8.04 4.70 0.00 2.66 2.76 0.00 0.00 7.26 7.65 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 *40 R 7.63 4.74 0.00 1.84 1.91 0.00 3.34 0.00 0.00 3.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 W 8.21 4.29 0.00 3.36 2.94 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 42 N 8.54 4.27 0.00 2.81 2.87 0.00 0.00 7.08 8.76 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 43 A 8.78 4.31 1.30 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 0.00 0.00 44 V 8.11 3.93 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 0.98 0.00 0.00 0.84 0.00 0.00 45 L 7.44 4.25 0.00 1.73 1.71 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.93 4.49 0.00 1.76 1.81 0.00 1.72 0.00 0.00 2.01 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.37 7.81 47 L 7.59 3.98 0.00 1.59 1.69 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.18 3.98 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.32 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 49 T 7.25 4.34 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 1.21 0.00 0.00 50 L 7.58 4.35 0.00 1.74 1.85 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.64 0.00 1.71 0.98 0.00 3.68 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.10 0.00 52 R 7.41 4.43 0.00 1.67 1.82 0.00 3.30 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 53 D 7.18 4.54 0.00 2.61 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 S 7.87 4.79 0.00 4.55 3.71 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 55 S 8.05 4.65 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 56 P 0.00 4.61 0.00 2.10 1.89 0.00 3.62 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 57 S 8.82 4.49 0.00 3.79 3.85 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 0.00 0.00 0.00 58 R 7.94 4.37 0.00 1.91 2.01 0.00 2.99 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 59 Q 6.98 4.88 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 60 R 7.73 4.37 0.00 1.65 1.65 0.00 3.14 0.00 0.00 3.33 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.51 0.00 61 N 8.17 4.51 0.00 1.96 2.73 0.00 0.00 5.91 7.66 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 62 R 6.91 3.79 0.00 1.84 2.07 0.00 3.49 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 63 C 8.37 4.06 0.00 2.95 3.02 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 64 R 8.39 4.23 0.00 1.89 1.98 0.00 3.24 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 65 Q 8.05 4.37 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 66 T 8.83 4.29 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 67 G 8.03 3.50 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 68 R 7.58 4.11 0.00 1.88 1.80 0.00 3.11 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.51 0.00 69 P 0.00 4.13 0.00 2.00 1.98 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 70 H 7.07 4.96 0.00 3.23 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.01 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 0.00 0.00 0.00 72 F 7.72 5.06 0.00 3.24 2.95 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 73 L 7.59 4.21 0.00 1.66 1.51 0.73 1.38 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 74 R 7.91 4.16 0.00 1.81 2.00 0.00 3.13 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.50 0.00 75 K 7.98 3.79 0.00 1.66 1.86 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 1.17 7.81 76 F 8.23 4.44 0.00 2.99 3.08 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 77 G 9.59 4.30 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 0.00 0.00 0.00 78 L 7.83 5.34 0.00 1.79 1.63 1.12 0.84 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 79 S 8.49 5.25 0.00 3.91 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 80 R 8.61 3.76 0.00 1.95 2.14 0.00 2.94 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 81 I 7.75 3.81 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 1.64 0.47 0.90 0.00 0.00 82 K 8.57 4.44 0.00 1.94 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.56 7.81 83 V 7.35 3.34 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 0.29 0.00 0.00 0.61 0.00 0.00 84 R 8.12 3.86 0.00 1.83 1.86 0.00 3.11 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 85 E 8.19 4.03 0.00 2.16 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 2.29 2.37 0.00 86 A 7.27 4.53 1.42 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 0.00 0.00 87 A 8.67 4.09 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 88 M 7.89 4.46 0.00 1.99 2.23 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 2.61 2.71 0.00 89 R 8.09 4.53 0.00 1.98 2.06 0.00 2.93 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 90 G 8.61 4.08 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 0.00 0.00 0.00 91 E 7.96 4.17 0.00 2.02 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 2.47 2.46 0.00 92 I 6.90 4.53 2.03 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 1.47 0.70 1.19 0.00 0.00 93 P 0.00 4.16 0.00 2.02 2.00 0.00 3.77 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 2.01 2.09 0.00 94 G 7.54 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 0.00 0.00 0.00 95 L 6.94 3.64 0.00 1.78 1.91 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.75 4.53 0.00 1.91 1.75 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.42 7.81 97 K 8.42 4.39 0.00 1.72 1.69 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.38 7.81 98 A 7.74 4.40 0.63 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 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.54 4.63 0.00 3.86 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 0.00 100 W 7.73 4.80 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 * Residues marked with a * may have inaccurate shift predictions.