NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3623 0.0000 0.0000 62.4366 32.8128 175.1067 2 Q 4.3561 7.9817 119.4825 53.9801 31.8225 172.9962 3 F 4.7152 9.6919 124.8494 55.9655 41.9456 175.4615 4 S 4.3658 8.7833 120.3307 58.6635 63.2714 175.5782 5 L 3.8272 8.1533 117.9657 54.9527 39.2852 175.3505 6 W 4.3089 8.1092 121.4440 59.3872 29.1371 177.5506 7 K 4.5339 7.6239 118.5687 53.8299 32.6467 177.1768 8 R 3.8180 8.5114 128.0867 55.7151 28.4619 174.3853 9 P 4.6765 0.0000 0.0000 62.8632 29.8756 173.9919 10 V 4.7912 8.0564 126.3523 61.8525 34.1847 174.2912 11 V 4.6319 8.5852 119.4045 60.2950 36.9111 173.8684 12 T 5.4728 8.6421 117.3586 61.3202 69.9475 174.3248 13 A 4.8803 8.1962 127.2486 50.1850 23.0903 173.8212 14 Y 5.0961 9.0620 117.8995 56.4922 40.8951 175.1380 15 I 4.4877 9.0031 126.0563 59.4101 38.6977 175.8099 16 E 4.0705 10.0198 130.4742 57.2517 27.4823 175.5532 17 G 4.1223 8.5766 106.6746 45.4042 0.0000 174.2056 18 Q 4.4724 7.8877 119.3066 54.7617 29.8765 173.8694 19 P 4.5637 0.0000 0.0000 62.5346 32.7925 175.6295 20 V 4.5376 8.7680 115.5101 59.8694 36.8588 173.6273 21 E 5.0485 8.5306 120.3217 54.8409 31.6295 176.4544 22 V 4.4406 8.7455 116.8432 59.3967 36.4647 174.0421 23 L 4.7393 8.6329 126.1383 53.6645 43.9524 175.5201 24 L 4.5359 8.5444 127.0974 54.4201 41.6589 175.8459 25 D 4.9264 8.9230 125.6973 52.7183 42.5164 176.9515 26 T 4.2096 8.8175 116.1400 62.6359 69.6094 175.5545 27 G 3.7888 7.9090 109.6343 46.1515 0.0000 173.8150 28 A 4.3954 7.8270 122.2735 51.5670 20.0070 178.1145 29 D 4.3748 8.8375 120.8120 56.1301 42.7312 175.5764 30 D 5.2847 7.9813 116.9583 52.3923 45.1693 174.8739 31 S 5.0416 8.4115 113.3452 57.2387 67.1516 173.4829 32 I 5.1558 8.4967 122.4486 59.6167 41.7670 173.8870 33 V 4.9942 9.3473 127.4665 61.1646 35.4765 173.5669 34 A 4.9855 8.5509 127.7495 51.2658 19.6511 175.6934 35 G 4.1538 9.2297 110.5256 45.5420 0.0000 174.4887 36 I 3.9195 7.3630 110.8433 60.1917 37.8234 174.7438 37 E 4.5093 8.5564 122.7885 54.4794 31.8011 174.4147 38 L 4.8587 8.0369 127.3527 53.0615 44.5891 175.7846 39 G 4.2009 8.1800 104.1415 45.3811 0.0000 172.2130 40 N 4.5263 8.2805 119.3534 53.8187 39.3673 174.3896 *41 N 4.7687 8.6774 117.7815 53.5378 38.6164 170.5764 42 Y 5.8342 7.8838 119.5907 53.7976 41.6991 174.3953 43 S 4.8074 8.3395 114.3072 55.6741 66.0983 171.2453 44 P 4.8280 0.0000 0.0000 63.1484 31.9899 175.2964 45 K 4.7518 9.1965 122.8279 55.3350 36.1896 174.1619 46 I 5.0917 8.2932 117.3383 59.2214 40.2959 174.8597 47 V 4.6578 8.8335 117.3642 59.5870 35.7117 174.6056 48 G 3.8205 8.8001 109.8258 44.7086 0.0000 173.7710 49 G 4.0847 8.5052 116.7969 44.0037 0.0000 173.9357 50 I 4.0227 8.1921 111.5235 61.9106 37.2843 176.6093 51 G 4.0199 8.0782 106.5237 44.4505 0.0000 172.5604 52 G 3.9215 7.0614 107.2101 46.3250 0.0000 171.2379 53 F 5.4389 8.3706 118.2558 56.3200 40.8425 175.9960 54 I 4.7371 8.7428 121.8019 59.6025 41.1768 174.2757 55 N 5.1500 8.8470 123.5702 52.8737 39.3953 174.4952 56 T 4.9347 9.3942 113.6492 59.6962 73.1501 172.2505 57 L 4.9135 8.5722 123.3628 53.1057 45.1627 174.3509 58 E 5.0686 9.2700 127.1707 54.7016 32.0776 173.9840 59 Y 5.7427 8.6685 124.1105 55.6115 40.9079 174.9786 60 K 4.8446 8.6766 121.0093 54.7015 35.7597 174.9907 61 N 4.1512 8.6143 115.7008 54.4308 36.1750 174.5537 62 V 4.1997 8.0911 118.4635 61.9073 33.2632 174.4745 63 E 4.6763 9.3200 129.9243 56.1654 30.9068 175.2938 64 I 5.0988 8.9977 127.5944 59.4655 41.2990 173.8024 65 E 5.3527 9.5308 128.3421 54.4260 31.9489 174.9785 66 V 4.7931 8.6484 125.5443 60.5651 35.5188 175.2053 67 L 3.8650 9.7303 120.0954 56.1324 39.2880 174.5624 68 N 4.4451 8.5908 110.8999 54.0603 36.0642 174.3548 69 K 4.6312 8.4467 117.6144 54.5597 35.4027 175.5467 70 K 5.1075 8.5805 122.9751 55.4427 33.7320 176.1619 71 V 4.5545 8.6505 121.8645 60.3531 35.5959 173.4505 72 R 4.9760 8.5046 121.4101 54.7973 31.8630 174.5362 73 A 4.6601 8.9792 127.4854 51.4598 23.5475 173.8592 74 T 5.0514 8.3104 114.4411 62.2462 70.3338 174.5307 75 I 4.8501 8.5505 124.6572 59.9430 42.4077 173.2227 76 M 5.3760 9.2481 125.3476 53.7672 35.7672 174.6938 77 T 5.5848 7.9113 115.5713 59.4754 70.8286 173.2262 78 G 3.9629 7.9971 112.9987 46.4209 0.0000 172.4297 79 D 4.9014 8.7744 119.6759 53.1634 39.5353 174.4247 80 T 4.5355 7.6096 116.7192 59.2024 69.1511 173.0727 81 P 4.4504 0.0000 0.0000 64.7633 31.9316 176.5847 82 I 4.5860 7.3102 118.4524 59.3319 40.9043 173.9922 83 N 4.9909 8.6060 122.3866 52.6244 39.8686 174.1456 84 I 5.0864 8.6487 116.4954 59.1245 41.8139 174.1140 85 F 5.3152 9.2527 123.4168 56.2112 41.3565 176.1840 86 G 4.6269 8.9450 114.1551 43.6548 0.0000 173.9129 87 R 4.0395 8.5667 117.7049 58.6967 30.1542 179.1107 88 N 4.3174 7.6430 114.0144 55.1408 37.6188 176.6609 89 I 4.0147 7.5246 118.8633 62.9435 37.9833 177.6663 90 L 4.0195 7.8064 120.1965 58.1563 41.2647 179.7732 91 T 3.9162 8.2086 109.5370 64.6534 68.4977 176.4529 92 A 4.0132 7.5406 122.5655 54.3029 18.4104 178.8554 93 L 4.3139 7.6527 116.5871 55.0505 42.0256 177.8990 94 G 3.9086 7.5683 105.8249 45.8413 0.0000 173.5059 95 M 4.3640 7.7453 118.1602 55.0535 32.6041 175.2351 96 S 4.5826 8.1119 114.0486 57.2555 66.2096 172.7075 97 L 4.6507 8.3516 121.5680 53.2952 43.5088 174.8618 98 N 5.1648 8.5764 122.0565 51.5186 42.2755 174.1813 99 L 4.1867 8.1123 119.9318 55.6040 42.3207 175.5118 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 P 0.00 4.36 0.00 2.12 1.92 0.00 3.66 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 1.99 2.08 0.00 2 Q 7.98 4.36 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 3 F 9.69 4.72 0.00 3.02 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 4 S 8.78 4.37 0.00 4.13 4.32 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 5 L 8.15 3.83 0.00 1.62 1.69 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.11 4.31 0.00 3.24 3.25 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 7 K 7.62 4.53 0.00 1.71 1.60 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.96 7.81 8 R 8.51 3.82 0.00 1.96 2.05 0.00 3.21 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 9 P 0.00 4.68 0.00 1.73 2.05 0.00 3.67 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 1.87 0.00 10 V 8.06 4.79 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 0.84 0.00 0.00 0.96 0.00 0.00 11 V 8.59 4.63 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 0.75 0.00 0.00 0.82 0.00 0.00 12 T 8.64 5.47 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 0.84 0.00 0.00 13 A 8.20 4.88 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 14 Y 9.06 5.10 0.00 2.96 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 15 I 9.00 4.49 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.22 0.92 0.00 0.00 16 E 10.02 4.07 0.00 2.06 1.99 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 2.23 2.32 0.00 17 G 8.58 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 0.00 0.00 0.00 18 Q 7.89 4.47 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 19 P 0.00 4.56 0.00 1.94 2.08 0.00 3.78 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 20 V 8.77 4.54 1.98 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 0.74 0.00 0.00 0.89 0.00 0.00 21 E 8.53 5.05 0.00 1.72 1.74 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 2.11 2.18 0.00 22 V 8.75 4.44 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 0.11 0.00 0.00 0.08 0.00 0.00 23 L 8.63 4.74 0.00 1.65 1.63 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.54 4.54 0.00 1.31 1.48 0.76 0.54 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 25 D 8.92 4.93 0.00 2.71 2.53 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 26 T 8.82 4.21 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 1.19 0.00 0.00 27 G 7.91 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 28 A 7.83 4.40 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 29 D 8.84 4.37 0.00 2.62 2.72 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 30 D 7.98 5.28 0.00 2.58 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 31 S 8.41 5.04 0.00 3.71 3.97 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 0.00 0.00 0.00 32 I 8.50 5.16 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.52 0.94 0.00 0.00 33 V 9.35 4.99 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 0.90 0.00 0.00 1.02 0.00 0.00 34 A 8.55 4.99 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 35 G 9.23 4.15 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 0.00 0.00 0.00 36 I 7.36 3.92 1.83 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 1.30 1.22 0.91 0.00 0.00 37 E 8.56 4.51 0.00 1.88 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 2.16 2.28 0.00 38 L 8.04 4.86 0.00 0.27 1.24 0.34 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.18 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 40 N 8.28 4.53 0.00 2.99 3.06 0.00 0.00 6.86 8.00 0.00 0.00 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 N 8.68 4.77 0.00 2.41 2.69 0.00 0.00 6.08 7.57 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 42 Y 7.88 5.83 0.00 2.23 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.34 4.81 0.00 3.84 3.66 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 44 P 0.00 4.83 0.00 2.12 2.06 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 45 K 9.20 4.75 0.00 1.78 1.62 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.39 7.81 46 I 8.29 5.09 1.88 0.00 0.00 0.46 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 0.93 0.92 0.00 0.00 47 V 8.83 4.66 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 0.75 0.00 0.00 0.98 0.00 0.00 48 G 8.80 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 49 G 8.51 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 50 I 8.19 4.02 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.47 0.87 0.00 0.00 51 G 8.08 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 52 G 7.06 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 0.00 0.00 0.00 53 F 8.37 5.44 0.00 2.96 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 54 I 8.74 4.74 1.91 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 1.25 1.28 0.94 0.00 0.00 55 N 8.85 5.15 0.00 2.62 2.76 0.00 0.00 6.76 7.54 0.00 0.00 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 T 9.39 4.93 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 1.24 0.00 0.00 57 L 8.57 4.91 0.00 1.62 1.31 0.86 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.27 5.07 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 59 Y 8.67 5.74 0.00 2.99 2.85 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 60 K 8.68 4.84 0.00 1.65 1.72 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.37 1.39 7.81 61 N 8.61 4.15 0.00 2.90 2.92 0.00 0.00 6.86 7.68 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 62 V 8.09 4.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.03 0.00 0.00 63 E 9.32 4.68 0.00 2.11 1.82 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 2.32 2.30 0.00 64 I 9.00 5.10 1.83 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 1.19 0.85 0.94 0.00 0.00 65 E 9.53 5.35 0.00 2.07 2.02 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 2.35 2.29 0.00 66 V 8.65 4.79 2.36 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 0.94 0.00 0.00 1.07 0.00 0.00 67 L 9.73 3.86 0.00 1.82 1.83 1.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.59 4.45 0.00 2.93 2.99 0.00 0.00 6.93 7.61 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 69 K 8.45 4.63 0.00 1.88 1.68 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.57 7.81 70 K 8.58 5.11 0.00 1.64 1.74 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 71 V 8.65 4.55 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 0.85 0.00 0.00 0.90 0.00 0.00 72 R 8.50 4.98 0.00 1.79 1.84 0.00 3.27 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 73 A 8.98 4.66 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 74 T 8.31 5.05 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 1.27 0.00 0.00 75 I 8.55 4.85 1.86 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 1.33 1.47 1.00 0.00 0.00 76 M 9.25 5.38 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 77 T 7.91 5.58 4.36 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 1.37 0.00 0.00 78 G 8.00 3.96 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 0.00 0.00 0.00 79 D 8.77 4.90 0.00 2.63 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 80 T 7.61 4.54 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 81 P 0.00 4.45 0.00 2.21 2.16 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 82 I 7.31 4.59 1.85 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 1.40 0.65 0.88 0.00 0.00 83 N 8.61 4.99 0.00 2.67 2.63 0.00 0.00 6.64 7.40 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 84 I 8.65 5.09 1.89 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 1.25 1.02 0.95 0.00 0.00 85 F 9.25 5.32 0.00 2.83 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.95 4.63 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 0.00 87 R 8.57 4.04 0.00 1.87 1.99 0.00 3.12 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 88 N 7.64 4.32 0.00 2.88 3.04 0.00 0.00 6.91 7.69 0.00 0.00 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 I 7.52 4.01 1.55 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.41 0.59 0.00 0.00 90 L 7.81 4.02 0.00 1.87 1.72 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.21 3.92 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 1.27 0.00 0.00 92 A 7.54 4.01 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 93 L 7.65 4.31 0.00 1.85 1.76 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.57 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 M 7.75 4.36 0.00 2.04 2.02 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 2.57 0.00 96 S 8.11 4.58 0.00 3.92 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 97 L 8.35 4.65 0.00 1.55 1.56 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.58 5.16 0.00 2.69 2.68 0.00 0.00 6.85 7.85 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 99 L 8.11 4.19 0.00 1.51 1.45 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.