NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.7337 8.2116 122.9730 49.3992 20.0230 176.1322 2 K 3.5540 8.7827 123.9227 54.6793 30.1842 173.4318 3 Q 3.9453 8.0253 124.0014 58.0671 29.8721 177.6009 4 S 4.1903 8.0098 115.0600 61.1330 62.7602 176.2567 5 M 4.0883 8.6118 122.9998 58.0217 31.8901 178.3591 6 K 3.9039 8.1052 118.9939 59.3330 32.3148 178.3150 7 A 3.9376 7.6855 120.7403 55.3300 18.1859 179.4509 8 R 3.8623 7.3247 114.7143 59.5608 30.2417 177.8672 9 E 4.2344 7.7382 116.7771 58.4487 29.6336 178.6888 10 V 3.5822 8.0036 118.9203 66.0115 31.6762 178.0301 11 K 4.0247 8.0617 118.6545 59.1317 31.7617 179.0793 12 R 4.2464 7.6361 119.4789 58.4518 30.2603 178.4724 13 V 3.8993 7.7657 116.7772 64.6809 31.5714 177.4924 14 A 4.1378 7.6085 120.6676 54.2328 18.3334 177.8390 15 L 4.7743 7.5051 113.4747 54.7736 41.8773 176.5222 16 A 5.2313 7.9699 120.3820 51.7842 19.4264 177.7775 17 D 5.0051 8.3035 118.1412 56.4205 46.1787 176.6412 18 K 3.9817 8.3969 118.3742 58.5389 32.6557 176.9560 19 Y 4.2574 8.1649 114.4648 59.4774 39.4636 177.0673 20 F 4.8907 7.9841 116.0414 57.7753 41.1034 177.4388 21 A 4.3938 8.0597 129.2409 53.0318 17.0144 180.7554 22 K 4.2534 9.2592 126.5718 59.0543 32.9665 178.6610 23 R 4.1029 7.9574 115.5776 57.6420 30.0149 176.8469 24 A 4.6690 7.9825 120.0895 53.1558 19.0462 178.2245 25 E 4.7279 8.3080 111.2327 56.8956 32.4924 176.9951 26 L 3.9628 8.0096 123.0984 58.1406 42.5739 178.1360 27 K 4.3551 8.0127 115.6581 57.2536 32.9033 178.4057 28 A 4.0543 7.7701 123.0276 55.7245 18.3454 179.7880 29 I 4.4416 7.6577 116.4671 62.5873 37.4956 177.3022 30 I 4.4915 7.2206 119.4757 61.1772 37.1589 176.7115 31 S 4.5057 8.2886 117.4056 59.3360 65.1550 174.2989 32 D 4.7061 7.7087 119.2445 52.2467 40.9177 176.1833 33 V 3.9077 7.8933 118.9540 61.6461 29.6645 173.8046 34 N 4.8232 7.7975 117.5350 53.8814 43.9905 174.4146 *40 R 4.8306 7.6036 114.1999 56.1513 31.5218 174.4923 41 W 3.9406 8.3737 123.4380 56.8054 32.7283 173.6310 42 N 4.0385 8.1091 124.6135 57.9041 38.6047 175.5366 43 A 4.2400 8.9813 118.2483 53.4342 18.3754 177.9831 44 V 4.0665 8.2294 117.5553 65.3559 32.3719 179.3698 45 L 4.2558 7.2669 119.5555 55.1808 40.9520 178.1752 46 K 4.4789 7.9463 118.8208 57.3584 34.6552 178.5330 47 L 4.1102 7.5664 118.4821 56.8750 42.1368 177.4988 48 Q 4.0619 8.1384 118.4626 59.0370 29.3782 176.3849 49 T 4.4799 7.2600 115.7156 63.2363 68.3392 175.6267 50 L 4.1583 7.8460 123.5719 56.6560 42.6051 176.2737 51 P 4.4903 0.0000 0.0000 61.8277 33.7030 175.4857 52 R 4.5843 7.2489 115.0048 54.3373 29.7672 173.7584 53 D 4.6088 7.3707 119.4971 54.1446 44.7864 176.2201 54 S 4.9225 8.1208 115.2290 55.8373 64.6681 173.5822 55 S 5.1264 8.3270 124.1169 57.3614 64.5481 176.8551 56 P 4.6110 0.0000 0.0000 62.8161 30.6116 177.1731 57 S 4.5157 8.9946 115.2390 60.7313 67.1585 175.4087 58 R 4.8469 7.8820 114.7115 56.7324 30.6419 176.5599 59 Q 4.5778 8.0950 119.8415 56.1371 29.7869 174.7965 60 R 4.2346 7.3867 122.3444 57.9199 34.4614 170.5202 61 N 4.5869 7.6083 108.7000 51.9462 39.8656 173.4749 62 R 4.1380 6.8539 120.3795 54.4141 29.9328 175.7550 63 C 4.0810 8.4859 120.6945 60.2093 31.5069 174.8474 64 R 4.2068 8.5181 126.0361 57.6692 30.1858 177.2190 65 Q 4.3015 8.0745 118.2596 57.4369 29.4820 175.6515 66 T 4.1159 7.9775 106.9551 60.3662 69.9651 173.0782 67 G 3.4709 7.8957 111.4157 44.2282 0.0000 172.6163 68 R 4.2001 7.5267 121.7429 54.9196 29.9364 174.6792 69 P 4.2043 0.0000 0.0000 63.8284 31.7924 177.6587 70 H 4.8323 7.1868 116.6285 53.2362 31.9482 173.7176 71 G 3.8951 8.8483 105.7903 45.8553 0.0000 171.6490 72 F 5.1377 7.8290 114.9237 56.0068 41.6881 174.4219 73 L 4.2358 7.5502 118.6785 52.6423 45.0983 178.4952 74 R 3.4791 7.9983 121.9153 58.8320 30.2696 178.6164 75 K 3.8367 7.7561 117.4196 58.0341 32.5220 176.5315 76 F 4.5570 7.7891 114.0179 59.5341 41.2568 176.7157 77 G 4.2518 9.9365 108.2323 45.4001 0.0000 172.4255 78 L 5.3376 7.8077 118.6631 53.2290 45.9979 175.2961 79 S 5.4269 8.5056 113.8939 56.2256 64.9480 175.7389 80 R 3.6876 8.6005 119.4591 59.4106 29.0653 178.5645 81 I 3.9561 7.7317 109.2433 61.8741 37.4260 176.6505 82 K 4.4296 8.6888 121.0023 56.7420 33.5662 178.0070 83 V 3.2823 7.3697 118.1343 64.9605 31.5054 177.8416 84 R 3.7503 8.3806 119.1058 59.2980 29.9240 177.7988 85 E 4.0922 8.1039 115.7306 57.5258 29.6574 176.7325 86 A 4.5038 6.9568 117.7173 54.5946 21.1033 178.2539 87 A 4.0969 8.0868 119.4648 55.3453 18.1545 179.0600 88 M 4.3904 7.7346 114.0735 56.0173 32.1467 177.0015 89 R 4.5688 8.0057 117.2101 55.8216 29.7804 175.9070 90 G 4.1023 8.4935 103.0220 47.6746 0.0000 174.9163 91 E 4.1693 7.8752 119.2801 57.4131 29.8113 176.9397 92 I 4.5729 7.4044 119.2706 58.3421 39.5807 173.5561 93 P 4.2048 0.0000 0.0000 63.5000 31.1480 173.9890 94 G 3.7722 7.2530 113.1429 44.2768 0.0000 175.6512 95 L 3.6261 6.4628 123.3756 55.1552 40.1010 176.5210 96 K 4.6186 7.7510 123.4299 55.3527 34.6093 176.8133 97 K 4.2311 8.4030 117.9419 55.7950 33.5580 175.3176 98 A 4.4377 7.5476 123.0118 51.1124 20.9513 176.3644 99 S 4.7603 7.2541 110.4845 57.9619 65.2158 177.1431 100 W 4.7092 7.8900 122.9879 56.7262 28.0824 174.7056 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 4.73 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 2 K 8.78 3.55 0.00 2.03 1.79 0.00 1.73 0.00 0.00 1.81 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 8.03 3.95 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 4 S 8.01 4.19 0.00 4.04 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 0.00 5 M 8.61 4.09 0.00 1.99 2.28 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 2.59 2.67 0.00 6 K 8.11 3.90 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.50 7.81 7 A 7.69 3.94 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 8 R 7.32 3.86 0.00 1.93 2.08 0.00 3.25 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 9 E 7.74 4.23 0.00 2.19 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 2.27 2.58 0.00 10 V 8.00 3.58 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 1.00 0.00 0.00 1.00 0.00 0.00 11 K 8.06 4.02 0.00 1.91 1.79 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 R 7.64 4.25 0.00 1.97 1.98 0.00 3.22 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.69 0.00 13 V 7.77 3.90 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 1.07 0.00 0.00 1.07 0.00 0.00 14 A 7.61 4.14 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 15 L 7.51 4.77 0.00 1.73 1.65 0.81 0.85 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 16 A 7.97 5.23 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 17 D 8.30 5.01 0.00 2.80 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 18 K 8.40 3.98 0.00 1.95 1.90 0.00 1.81 0.00 0.00 1.74 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 8.16 4.26 0.00 2.75 2.57 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 20 F 7.98 4.89 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.06 4.39 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.26 4.25 0.00 1.83 1.87 0.00 1.67 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 7.96 4.10 0.00 1.99 1.96 0.00 3.17 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 24 A 7.98 4.67 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 8.31 4.73 0.00 2.21 2.16 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 0.00 2.23 2.46 0.00 26 L 8.01 3.96 0.00 1.84 1.75 0.91 0.64 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 27 K 8.01 4.36 0.00 2.11 2.06 0.00 1.50 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.59 7.81 28 A 7.77 4.05 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 29 I 7.66 4.44 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 1.88 0.93 0.00 0.00 30 I 7.22 4.49 1.93 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 1.71 1.05 1.05 0.00 0.00 31 S 8.29 4.51 0.00 3.99 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 32 D 7.71 4.71 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 33 V 7.89 3.91 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 7.80 4.82 0.00 2.66 2.76 0.00 0.00 7.29 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 7.60 4.83 0.00 1.86 1.91 0.00 3.34 0.00 0.00 3.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 41 W 8.37 3.94 0.00 3.35 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 42 N 8.11 4.04 0.00 2.71 2.67 0.00 0.00 7.08 8.15 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 43 A 8.98 4.24 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 44 V 8.23 4.07 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 1.00 0.00 0.00 0.96 0.00 0.00 45 L 7.27 4.26 0.00 1.89 1.72 0.99 0.96 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 46 K 7.95 4.48 0.00 1.77 1.83 0.00 1.73 0.00 0.00 1.98 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.38 7.81 47 L 7.57 4.11 0.00 1.61 1.70 0.92 0.73 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 48 Q 8.14 4.06 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.35 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 49 T 7.26 4.48 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 1.21 0.00 0.00 50 L 7.85 4.16 0.00 1.72 1.83 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.49 0.00 1.63 0.80 0.00 3.75 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.33 0.00 52 R 7.25 4.58 0.00 1.67 1.79 0.00 3.31 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 53 D 7.37 4.61 0.00 2.64 2.57 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 54 S 8.12 4.92 0.00 4.43 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 55 S 8.33 5.13 0.00 4.04 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 56 P 0.00 4.61 0.00 2.09 1.92 0.00 3.37 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 57 S 8.99 4.52 0.00 3.79 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 58 R 7.88 4.85 0.00 1.91 2.02 0.00 3.01 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 59 Q 8.10 4.58 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 60 R 7.39 4.23 0.00 1.78 1.81 0.00 3.13 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.25 0.00 61 N 7.61 4.59 0.00 2.03 2.63 0.00 0.00 5.96 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 6.85 4.14 0.00 1.90 2.05 0.00 3.55 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 63 C 8.49 4.08 0.00 2.95 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 64 R 8.52 4.21 0.00 2.02 2.00 0.00 3.30 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 65 Q 8.07 4.30 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 66 T 7.98 4.12 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 7.90 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 4.20 0.00 1.85 1.78 0.00 3.08 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 69 P 0.00 4.20 0.00 2.09 1.97 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 70 H 7.19 4.83 0.00 3.25 3.38 0.00 5.86 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 8.85 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 72 F 7.83 5.14 0.00 3.30 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 73 L 7.55 4.24 0.00 1.83 1.50 1.03 0.89 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 74 R 8.00 3.48 0.00 1.76 1.94 0.00 3.14 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.59 0.00 75 K 7.76 3.84 0.00 1.44 1.21 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.95 1.03 7.81 76 F 7.79 4.56 0.00 3.11 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 77 G 9.94 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 0.00 0.00 0.00 0.00 78 L 7.81 5.34 0.00 1.74 1.60 1.06 0.74 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 79 S 8.51 5.43 0.00 3.90 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 80 R 8.60 3.69 0.00 1.93 2.18 0.00 2.96 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 81 I 7.73 3.96 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 1.41 0.47 0.90 0.00 0.00 82 K 8.69 4.43 0.00 1.88 1.84 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.55 7.81 83 V 7.37 3.28 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 0.27 0.00 0.00 0.57 0.00 0.00 84 R 8.38 3.75 0.00 1.80 1.90 0.00 3.11 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 85 E 8.10 4.09 0.00 1.97 1.93 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 2.27 2.36 0.00 86 A 6.96 4.50 1.25 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 0.00 0.00 87 A 8.09 4.10 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 88 M 7.73 4.39 0.00 2.00 2.22 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 2.71 0.00 89 R 8.01 4.57 0.00 1.96 2.05 0.00 2.91 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 90 G 8.49 4.10 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 0.00 91 E 7.88 4.17 0.00 2.09 2.03 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 2.49 2.46 0.00 92 I 7.40 4.57 1.95 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 1.48 0.58 1.22 0.00 0.00 93 P 0.00 4.20 0.00 2.06 2.01 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 94 G 7.25 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 95 L 6.46 3.63 0.00 1.79 1.86 1.12 0.58 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 96 K 7.75 4.62 0.00 1.90 1.80 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 97 K 8.40 4.23 0.00 1.73 1.72 0.00 1.69 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 1.35 1.39 7.81 98 A 7.55 4.44 0.73 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 0.00 0.00 99 S 7.25 4.76 0.00 3.83 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 0.00 100 W 7.89 4.71 0.00 3.25 3.16 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.