NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4262 8.2649 122.4712 51.9109 20.2456 176.2482 2 T 4.0991 8.3655 117.5124 62.9752 69.8894 172.4355 3 K 5.3089 9.0164 125.4145 54.8796 37.2630 174.6390 4 A 5.3622 9.1658 123.9290 50.8562 23.4110 175.1300 5 V 5.0251 8.8522 117.4953 60.8879 35.4981 173.4541 6 C 4.9370 9.1093 121.7816 58.0948 35.4581 172.6167 7 V 4.6032 8.4390 126.0911 61.3946 33.1063 174.2835 8 L 4.7394 8.9240 129.6021 54.2502 42.9232 176.3643 9 K 4.8618 9.2201 122.3579 55.3275 37.0623 176.2520 10 G 4.7079 7.9943 108.6374 45.3446 0.0000 172.2241 11 D 4.5685 8.7907 118.0377 55.9852 41.9509 177.6284 12 G 4.2158 7.6082 108.8309 45.0454 0.0000 172.4060 13 P 4.4415 0.0000 0.0000 63.4209 32.1202 175.9687 14 V 4.5550 7.7975 120.5117 62.4323 32.0842 174.9322 15 Q 5.0547 7.6729 123.9489 56.1573 31.9563 173.1157 16 G 4.2634 8.0115 105.9819 46.0872 0.0000 171.9224 17 I 5.1237 7.9725 120.3617 59.3388 40.6716 174.9552 18 I 4.5478 8.7900 127.7703 59.4489 40.2495 174.4364 19 N 4.9600 8.5118 124.2064 51.3482 41.2518 173.8937 20 F 5.4563 8.9929 119.8233 55.8959 43.4467 173.7433 21 E 5.2510 9.6828 122.7556 54.8734 33.7441 173.6601 22 Q 4.7902 9.3504 127.5230 54.4688 31.4782 175.9566 23 K 4.1704 9.0511 127.1522 58.6416 32.8023 177.1320 24 E 4.8149 7.7518 114.8789 54.1354 32.5779 176.2620 25 S 4.0868 8.8017 115.2528 60.9494 63.2052 174.6933 26 N 4.7422 8.1933 116.1788 52.2445 37.2385 174.4263 27 G 4.0937 7.7419 108.5678 43.1807 0.0000 171.8833 28 P 4.6447 0.0000 0.0000 62.8298 32.3587 175.8207 29 V 4.5780 9.0163 121.6830 61.4020 33.5230 174.8262 30 K 4.8302 9.3252 128.5008 56.0224 33.7638 176.0437 31 V 4.8881 9.3827 124.9560 60.8157 34.3455 174.2236 32 W 6.0510 8.0770 123.8496 54.8465 31.8368 175.5535 33 G 3.8991 8.0180 106.1965 46.0728 0.0000 171.0576 34 S 5.1051 7.6538 113.9125 57.1383 67.0049 173.3285 35 I 4.8422 8.7435 121.3157 59.6095 40.8779 174.8887 36 K 4.7604 9.4289 125.2688 55.2058 35.8194 177.0854 37 G 3.7509 8.7613 107.3714 46.8683 0.0000 173.5047 38 L 4.5032 7.6031 119.7546 52.8290 43.1785 176.4361 39 T 4.2226 8.1698 111.2618 61.1394 69.4392 174.0024 40 E 4.1190 8.6293 124.8888 57.8011 30.5191 175.3323 41 G 3.8547 8.4716 110.3061 43.9823 0.0000 172.2001 42 L 4.9146 8.2120 119.2211 54.6867 43.0621 176.5026 43 H 4.9798 9.2809 119.4753 53.8051 33.2638 173.2982 44 G 4.0281 9.2397 111.3308 46.7999 0.0000 172.4652 45 F 5.5480 9.0253 125.0244 56.9105 42.3265 172.9272 46 H 5.3222 9.0413 122.8769 53.9716 33.7023 172.7798 47 V 4.4657 8.6984 121.8932 62.5320 32.8034 175.0197 48 H 5.1834 9.3885 125.2073 54.1759 31.0927 175.6873 49 E 3.7268 8.9423 121.9307 58.7859 29.5056 177.0467 50 F 4.9444 8.3251 118.3875 54.8435 41.6458 176.8762 51 G 4.1172 8.3853 112.1755 44.5272 0.0000 174.2739 52 D 4.7287 7.9556 118.3034 52.7023 42.2068 174.2710 53 N 5.3338 8.7553 124.2500 52.6819 39.2358 175.6683 54 T 3.9715 8.4266 109.5627 63.3315 69.1977 174.3444 55 A 4.7396 8.1112 126.0049 51.5582 20.4773 176.8330 56 G 3.7456 7.8303 112.4768 48.4570 0.0000 178.1745 57 C 4.4571 8.6289 119.3135 58.9956 40.5724 175.6944 58 T 3.7384 7.6671 115.9962 65.9209 67.9950 175.2151 59 S 4.5666 7.9774 113.9715 58.0661 63.5706 175.2294 60 A 4.1912 7.3905 124.0508 52.4943 18.5940 179.1991 61 G 4.0413 7.5046 104.7593 43.9014 0.0000 171.0666 62 P 4.7313 0.0000 0.0000 61.8503 33.6043 175.0583 63 H 4.1904 8.7011 116.2399 56.3647 29.2052 175.4159 64 F 4.2469 9.2386 126.0582 58.6050 40.2463 174.3175 65 N 4.4308 7.9600 123.2078 52.1232 39.6631 171.8730 66 P 4.0898 0.0000 0.0000 63.9027 31.9712 177.2287 *79 R 4.0733 7.5675 114.7449 55.9059 30.6447 174.7943 80 H 4.6344 8.1845 115.5277 55.5104 29.4764 176.8840 81 V 3.4907 8.2963 123.6565 66.3221 31.4675 177.3784 82 G 3.8235 8.3447 105.1887 47.3324 0.0000 173.0682 83 D 4.9496 8.0170 121.2096 53.5052 40.7489 175.1297 84 L 4.4770 8.4911 124.8866 54.0037 42.3107 179.0289 85 G 4.0188 9.1147 107.4797 46.0469 0.0000 172.7999 86 N 5.6608 8.6466 119.7817 51.5830 41.9811 174.4152 87 V 4.4265 8.7409 115.0081 59.9831 35.3702 174.7563 88 T 5.0500 8.2301 118.2178 61.8722 71.4885 173.0348 89 A 4.8852 8.9703 129.0526 50.6982 21.3549 177.3421 90 D 4.9165 8.6481 121.3781 52.1979 41.5354 176.9920 91 K 4.2139 8.5445 116.9758 59.4849 32.6889 177.0487 92 D 4.5904 8.3319 118.0467 53.9338 41.3226 176.8914 93 G 4.1385 8.4163 108.1738 44.7140 0.0000 172.6812 94 V 4.7056 8.3274 120.4483 60.9676 33.3688 174.3684 95 A 5.3282 9.0363 130.5571 49.5645 20.7371 175.2410 96 D 4.6626 8.6717 123.1938 54.0216 42.5688 175.4646 97 V 4.2139 8.7379 125.8609 61.2129 33.9726 174.4860 98 S 5.0435 8.6509 122.6473 57.1298 64.0058 172.3371 99 I 4.7638 9.4370 127.3782 59.0598 41.1558 174.0179 100 E 5.1474 8.9107 126.2227 54.4874 31.8761 174.3613 101 D 4.9631 9.3445 126.4545 52.6576 44.5208 175.9028 102 S 4.7633 8.9397 119.7385 58.5062 63.7556 174.6645 103 V 4.0959 8.0071 120.8170 64.4778 32.2078 176.4164 104 I 4.0876 7.9441 111.5318 61.0898 38.2064 174.4152 105 S 4.6472 8.5134 114.1412 57.5812 65.4999 174.0553 106 L 4.4463 8.9132 121.6010 54.1922 41.5467 176.1727 107 S 4.4630 7.8492 112.9556 58.0634 66.3802 174.6764 108 G 3.8806 8.5073 108.0548 45.0099 0.0000 173.6073 109 D 4.4959 8.6927 117.1699 55.9456 40.0953 176.5280 110 H 4.9306 8.1728 116.4330 55.5751 28.9077 174.0148 111 C 4.5014 7.8682 121.3671 59.7366 31.7521 173.4442 112 I 3.8872 8.0932 119.0536 60.2456 38.0723 175.5963 113 I 3.6835 7.3011 123.0179 62.9907 37.5328 176.3257 114 G 3.8081 9.2574 113.4769 45.3716 0.0000 173.0332 115 R 4.8993 7.4290 119.3333 54.9067 33.6144 174.5566 116 T 5.0020 7.9540 115.3906 62.0941 71.2280 173.7055 117 L 4.7372 8.5823 128.6493 54.0715 43.9520 175.3716 118 V 5.0168 8.9389 125.9443 61.0070 35.0934 174.1781 119 V 4.9997 8.6190 126.9946 60.5229 33.6815 174.7598 120 H 5.2454 9.0647 121.3787 54.0868 30.7249 174.6831 121 E 4.2040 9.1743 121.7977 58.9086 30.0532 176.5591 122 K 4.7621 8.5954 117.3296 54.0294 36.2274 175.7420 123 A 4.6810 8.4504 123.6335 51.9410 19.3476 177.0605 124 V 4.1911 8.5677 113.3967 59.7239 33.4031 176.6945 *140 A 4.1738 8.4875 126.0800 50.6917 20.5993 177.8123 141 G 3.7207 8.0399 104.5470 45.0274 0.0000 173.7603 142 S 4.3678 8.5722 114.2982 58.5775 64.6407 174.3744 143 R 4.3817 8.3923 120.5867 55.3738 29.7653 176.3583 144 L 4.3002 8.8272 125.9820 57.4900 43.0014 177.2275 145 A 5.0757 7.6986 117.7947 51.4424 22.7162 173.9751 146 C 5.5772 8.5813 113.1739 56.1490 46.6785 172.7626 147 G 4.7084 8.0899 104.3871 46.1536 0.0000 172.3520 148 V 4.5281 8.2262 120.9312 62.0717 32.8233 175.5048 149 I 4.1359 8.8674 129.5216 60.9985 37.9772 175.3358 150 G 4.4556 8.9708 114.5684 43.8494 0.0000 172.1722 151 I 4.4172 8.3178 121.4883 61.1992 37.5999 175.4756 152 A 4.8295 8.5182 127.6742 49.7999 22.3279 176.0239 153 Q 4.0823 8.5317 118.7141 56.4058 29.2277 175.8256 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 8.26 4.43 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 2 T 8.37 4.10 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 1.22 0.00 0.00 3 K 9.02 5.31 0.00 1.88 1.72 0.00 1.71 0.00 0.00 2.04 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.66 7.81 4 A 9.17 5.36 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.85 5.03 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 0.82 0.00 0.00 0.94 0.00 0.00 6 C 9.11 4.94 0.00 3.14 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 7 V 8.44 4.60 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.92 4.74 0.00 1.72 1.59 1.05 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.22 4.86 0.00 1.63 1.62 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 G 7.99 4.71 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 0.00 0.00 0.00 11 D 8.79 4.57 0.00 2.68 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 12 G 7.61 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 0.00 0.00 0.00 0.00 13 P 0.00 4.44 0.00 2.22 2.29 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 14 V 7.80 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 0.57 0.00 0.00 0.98 0.00 0.00 15 Q 7.67 5.05 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 16 G 8.01 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 0.00 0.00 0.00 0.00 17 I 7.97 5.12 1.81 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 1.20 1.51 0.82 0.00 0.00 18 I 8.79 4.55 1.84 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 1.26 1.21 0.45 0.00 0.00 19 N 8.51 4.96 0.00 1.44 1.42 0.00 0.00 6.42 8.35 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 20 F 8.99 5.46 0.00 2.81 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 21 E 9.68 5.25 0.00 2.46 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 2.31 2.39 0.00 22 Q 9.35 4.79 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 23 K 9.05 4.17 0.00 1.81 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.45 7.81 24 E 7.75 4.81 0.00 2.09 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 2.27 2.47 0.00 25 S 8.80 4.09 0.00 4.01 4.06 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 26 N 8.19 4.74 0.00 2.84 2.94 0.00 0.00 5.86 7.00 0.00 0.00 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 G 7.74 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.64 0.00 2.13 2.10 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 9.02 4.58 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 1.32 0.00 0.00 1.02 0.00 0.00 30 K 9.33 4.83 0.00 1.90 1.81 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.43 7.81 31 V 9.38 4.89 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 0.52 0.00 0.00 1.11 0.00 0.00 32 W 8.08 6.05 0.00 3.46 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 33 G 8.02 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 34 S 7.65 5.11 0.00 3.82 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 35 I 8.74 4.84 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.87 0.00 0.00 36 K 9.43 4.76 0.00 1.60 1.66 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.33 7.81 37 G 8.76 3.75 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 0.00 38 L 7.60 4.50 0.00 1.77 1.37 0.78 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.17 4.22 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 1.24 0.00 0.00 40 E 8.63 4.12 0.00 1.95 1.92 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 2.30 2.57 0.00 41 G 8.47 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 0.00 0.00 0.00 42 L 8.21 4.91 0.00 1.51 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.28 4.98 0.00 3.00 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.24 4.03 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 0.00 0.00 0.00 45 F 9.03 5.55 0.00 2.99 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 46 H 9.04 5.32 0.00 3.11 2.90 0.00 5.68 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 47 V 8.70 4.47 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 0.75 0.00 0.00 0.86 0.00 0.00 48 H 9.39 5.18 0.00 3.05 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.94 3.73 0.00 1.70 1.13 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 0.00 1.47 2.05 0.00 50 F 8.33 4.94 0.00 3.02 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 51 G 8.39 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 52 D 7.96 4.73 0.00 2.62 2.81 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 0.00 0.00 0.00 53 N 8.76 5.33 0.00 2.69 2.74 0.00 0.00 7.37 7.70 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 54 T 8.43 3.97 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 1.24 0.00 0.00 55 A 8.11 4.74 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 56 G 7.83 3.75 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 0.00 57 C 8.63 4.46 0.00 2.98 3.09 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 0.00 0.00 0.00 0.00 58 T 7.67 3.74 4.34 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 1.23 0.00 0.00 59 S 7.98 4.57 0.00 4.08 4.07 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 0.00 0.00 0.00 0.00 60 A 7.39 4.19 1.33 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 0.00 0.00 0.00 61 G 7.50 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.73 0.00 2.16 2.22 0.00 3.40 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 63 H 8.70 4.19 0.00 2.89 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.24 4.25 0.00 2.90 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 65 N 7.96 4.43 0.00 2.26 2.36 0.00 0.00 7.23 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 66 P 0.00 4.09 0.00 2.10 2.02 0.00 3.09 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 *79 R 7.57 4.07 0.00 1.95 2.01 0.00 3.05 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 80 H 8.18 4.63 0.00 3.19 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.30 3.49 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 0.67 0.00 0.00 0.56 0.00 0.00 82 G 8.34 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 83 D 8.02 4.95 0.00 2.69 2.76 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 84 L 8.49 4.48 0.00 1.82 1.87 0.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.11 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 86 N 8.65 5.66 0.00 2.60 2.72 0.00 0.00 6.61 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 87 V 8.74 4.43 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 0.10 0.00 0.00 0.80 0.00 0.00 88 T 8.23 5.05 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 1.21 0.00 0.00 89 A 8.97 4.89 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 90 D 8.65 4.92 0.00 2.89 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 91 K 8.54 4.21 0.00 1.88 1.98 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.33 4.59 0.00 2.81 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 93 G 8.42 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.33 4.71 2.33 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 0.99 0.00 0.00 0.92 0.00 0.00 95 A 9.04 5.33 1.15 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 96 D 8.67 4.66 0.00 2.67 2.55 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 0.00 0.00 0.00 0.00 97 V 8.74 4.21 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 0.77 0.00 0.00 0.50 0.00 0.00 98 S 8.65 5.04 0.00 3.89 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 99 I 9.44 4.76 2.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 1.02 0.00 0.00 100 E 8.91 5.15 0.00 1.97 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 2.31 0.00 101 D 9.34 4.96 0.00 2.87 2.54 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 0.00 0.00 0.00 0.00 102 S 8.94 4.76 0.00 3.91 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 0.00 103 V 8.01 4.10 2.25 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 0.87 0.00 0.00 0.96 0.00 0.00 104 I 7.94 4.09 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 1.04 0.00 0.00 105 S 8.51 4.65 0.00 3.88 3.86 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 0.00 0.00 0.00 106 L 8.91 4.45 0.00 1.78 1.63 1.02 0.88 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 0.00 107 S 7.85 4.46 0.00 3.89 3.81 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 0.00 0.00 0.00 108 G 8.51 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 0.00 0.00 0.00 109 D 8.69 4.50 0.00 2.87 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 0.00 110 H 8.17 4.93 0.00 3.25 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.87 4.50 0.00 3.04 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 0.00 112 I 8.09 3.89 1.57 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.19 0.92 0.00 0.00 113 I 7.30 3.68 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.38 0.83 0.00 0.00 114 G 9.26 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.43 4.90 0.00 1.55 1.81 0.00 2.21 0.00 0.00 2.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.31 0.00 116 T 7.95 5.00 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 1.25 0.00 0.00 117 L 8.58 4.74 0.00 1.78 1.53 0.42 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.94 5.02 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 0.71 0.00 0.00 0.78 0.00 0.00 119 V 8.62 5.00 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 0.73 0.00 0.00 0.98 0.00 0.00 120 H 9.06 5.25 0.00 3.17 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.17 4.20 0.00 2.02 2.11 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 2.36 2.34 0.00 122 K 8.60 4.76 0.00 1.70 1.68 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.45 4.68 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 0.00 124 V 8.57 4.19 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 0.83 0.00 0.00 1.13 0.00 0.00 *140 A 8.49 4.17 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 0.00 141 G 8.04 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 0.00 0.00 0.00 142 S 8.57 4.37 0.00 3.94 4.04 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 0.00 0.00 0.00 0.00 143 R 8.39 4.38 0.00 1.68 1.85 0.00 3.19 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 144 L 8.83 4.30 0.00 1.71 1.70 0.98 0.70 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 0.00 145 A 7.70 5.08 1.20 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 0.00 146 C 8.58 5.58 0.00 3.01 3.12 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 0.00 147 G 8.09 4.71 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 0.00 0.00 0.00 148 V 8.23 4.53 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 0.82 0.00 0.00 0.92 0.00 0.00 149 I 8.87 4.14 1.78 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.48 0.43 0.00 0.00 150 G 8.97 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.32 4.42 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.52 4.83 1.21 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 0.00 0.00 0.00 153 Q 8.53 4.08 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.