NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3368 8.3144 120.0892 56.4919 33.5830 175.2170 4 C 4.8116 8.5822 126.3853 54.2154 44.6360 171.0668 5 S 4.8960 9.4420 122.3251 56.6070 64.2966 173.6484 6 L 3.9653 7.8562 126.1611 57.1965 41.7721 178.2776 7 T 3.9724 7.8143 114.3233 63.8786 69.1338 173.7893 8 G 3.6535 7.6909 112.9158 44.2616 0.0000 171.6326 9 K 5.2428 8.1201 119.0120 54.5743 35.2681 175.6161 10 W 6.0547 9.2576 122.4457 54.5437 33.9904 173.9077 11 T 5.8672 9.0234 115.3081 59.5347 71.3601 171.7406 12 N 6.0882 8.4382 121.0491 49.8000 40.8463 174.5984 13 D 4.5353 8.7854 117.2598 56.0644 39.3211 177.0660 14 L 4.2617 8.0072 117.5321 54.3989 41.9670 176.9803 15 G 3.7981 8.6104 107.1932 46.1054 0.0000 173.9025 16 S 4.7177 8.5021 116.9849 57.3168 65.3897 172.8153 17 N 5.3705 8.0682 118.9304 52.7922 42.1846 173.0023 18 M 5.1199 9.2055 123.1866 54.1067 35.2571 173.9855 19 T 5.0400 8.8319 118.3350 62.1281 71.6007 173.6511 20 I 4.7767 8.7890 125.7880 59.5415 40.6805 176.5548 21 G 3.7203 9.6262 116.8879 45.7107 0.0000 172.2900 22 A 4.0917 8.6145 124.1570 52.1678 18.7708 178.3259 23 V 4.3585 8.0769 122.7218 59.4297 30.8705 175.7800 24 N 4.6073 8.3942 124.5196 52.4735 37.8590 175.8648 25 S 4.3319 8.5469 110.9847 59.8623 62.8830 174.6983 26 R 4.3637 8.2299 118.9041 55.9084 31.1719 176.3641 27 G 3.8955 8.9160 107.1723 46.2274 0.0000 173.0384 28 E 5.2401 8.3750 117.4647 53.5940 32.0733 174.9243 29 F 4.9120 6.9635 113.4017 56.3668 40.9379 172.9363 30 T 4.7964 8.3581 115.7584 62.5860 72.6436 173.5479 31 G 4.8216 8.3076 107.6445 47.3015 0.0000 171.8857 32 T 5.2324 8.4415 109.6425 60.0127 72.5706 172.2574 33 Y 5.0561 9.5674 125.8703 55.9538 41.8724 174.0865 34 I 5.0602 9.3709 128.5180 59.8682 39.3706 175.0001 35 T 4.4823 9.0455 122.0644 61.6293 68.0295 174.0788 36 A 4.5762 8.6246 130.0380 52.2548 19.6461 178.0657 37 V 4.2520 7.3150 116.1806 60.8550 31.8000 173.8612 38 A 3.9084 7.6401 120.9645 51.4339 19.0002 177.7684 39 D 4.4847 8.3990 119.3816 57.2320 40.9532 177.9607 40 N 4.8454 7.4521 114.5096 50.4035 39.7661 171.2902 41 P 3.9951 0.0000 0.0000 62.6854 32.1054 177.1454 42 G 3.8880 7.7381 110.9013 44.4083 0.0000 173.3655 *44 I 3.5431 7.3377 117.2136 61.3559 39.0388 175.3410 45 T 4.7667 8.6356 118.8717 60.8904 69.9913 172.9241 46 L 4.5559 8.7193 121.6374 54.5815 42.6670 176.5599 47 S 5.0430 9.0408 120.4185 55.8065 66.1679 172.2247 48 P 5.0591 0.0000 0.0000 62.6953 33.0081 174.9301 49 L 5.3496 8.8103 121.2731 54.0528 43.8819 175.1919 50 L 5.0588 8.8625 121.0217 53.1718 45.5778 175.9127 51 G 4.6487 7.4112 108.4583 46.5671 0.0000 171.6798 52 I 5.2180 8.1117 119.3778 59.3423 41.1317 174.8665 53 Q 5.3506 9.3133 124.4899 54.3954 31.6910 175.0540 54 H 4.1978 8.9212 118.7488 55.4523 29.7616 176.4827 *57 K 4.5918 8.3819 121.1922 56.9559 33.9246 176.3719 58 R 4.3059 8.0277 116.5220 58.4348 31.5465 176.6759 59 A 4.1255 7.8819 119.6200 52.5697 18.9840 177.4449 60 S 4.4148 8.6238 113.6920 60.1169 64.1736 173.7511 61 Q 5.3187 7.7807 119.2561 52.5842 27.6038 173.1395 62 P 4.6330 0.0000 0.0000 62.8143 34.0593 175.9517 63 T 5.1986 8.4505 115.1174 61.9814 71.9512 173.4874 64 F 5.4908 8.3158 118.7595 56.0336 42.3186 173.0274 65 G 4.4814 9.4808 105.3005 45.1271 0.0000 171.7101 66 F 5.5827 8.8655 115.3466 56.0051 41.9011 172.8534 67 T 4.9848 9.4635 117.2800 61.8487 71.3407 173.4304 68 V 4.3544 8.7909 126.0009 61.1170 33.8126 174.0219 69 N 4.5747 8.1697 127.4778 51.4331 38.6277 173.7713 70 W 4.2814 7.4237 124.0096 57.0090 28.8852 176.7482 71 K 4.1550 9.0196 125.0620 58.3229 32.0286 178.4951 72 F 4.5493 7.2512 111.6393 57.3983 38.3811 174.8193 73 S 4.5328 6.9914 114.2433 58.6979 65.3629 174.5845 74 E 4.5819 8.7327 120.4214 56.8687 28.5619 176.6483 75 S 4.8324 8.0722 117.1587 58.5252 64.8148 173.2622 76 T 4.9085 8.7913 116.9414 62.3980 73.0447 173.2910 77 T 4.9468 8.1053 120.8501 61.9218 72.2213 173.3833 78 V 4.7583 9.0578 118.4240 59.5006 35.2921 174.5614 79 F 5.2248 8.9350 123.4744 55.7795 41.7819 174.5669 80 T 4.6910 8.9606 112.6771 59.5180 72.3450 174.4430 81 G 3.9966 6.2244 106.9898 45.9336 0.0000 171.0141 82 Q 5.0340 7.6939 119.7006 54.7787 33.3296 175.5264 83 C 5.0535 9.2295 126.3955 55.8951 39.6103 172.4942 84 F 5.4479 9.2845 124.9668 55.9519 41.9165 174.5024 85 I 5.1175 8.9713 120.1708 59.5777 41.3967 174.4125 86 D 4.8130 8.3127 127.8677 53.4755 41.7711 177.6695 87 R 4.1417 8.4194 123.1635 56.8199 30.3272 177.0444 *89 G 4.1649 7.9187 101.3647 44.8065 0.0000 172.8889 90 K 4.6180 7.4322 118.2628 55.0422 35.6588 175.5119 91 E 5.4694 8.4031 119.5302 55.2215 30.7013 176.3169 92 V 5.1774 8.5950 116.2202 59.8699 36.7459 174.1922 93 L 5.1149 9.3345 125.0835 53.4290 43.5758 175.8772 94 K 4.9717 9.0648 125.1679 55.8027 33.2723 176.2697 95 T 5.3539 9.2733 115.2022 60.2035 72.8599 172.7111 96 M 5.3837 9.0944 121.6559 53.4849 36.2458 174.6408 97 W 5.4938 8.5514 116.3097 55.0876 32.2352 173.5782 98 L 5.3781 8.8566 121.3356 52.9765 44.2804 175.1176 99 L 5.0247 9.1380 125.6208 53.3854 44.6799 174.7923 100 R 5.0572 9.7738 128.3139 55.0561 32.0657 175.1722 101 S 5.0826 8.7652 121.8763 56.7062 65.7673 173.8669 102 S 4.3986 8.5676 117.3517 57.9842 62.4943 173.6515 103 V 4.4378 8.1585 120.6366 59.5196 33.5724 176.2283 104 N 4.5006 8.6979 120.6158 55.1115 39.0053 174.9231 105 D 4.9203 7.7056 117.2388 51.7630 44.0861 176.0949 106 I 3.6684 8.5686 125.8447 63.8443 38.3868 177.9913 107 G 3.7291 7.8511 107.7635 48.9500 0.0000 174.2641 108 D 4.6539 8.3678 118.4141 54.4036 41.2426 177.6591 109 D 4.3092 8.1532 121.0949 57.0638 41.2837 178.3916 110 W 4.4517 8.3692 114.5357 59.0495 27.7689 176.5461 111 K 3.7721 6.5995 114.5601 56.1780 32.0085 176.2752 112 A 4.4003 8.1019 122.0702 52.4295 18.9343 176.7526 113 T 5.0371 7.5660 113.6227 62.6595 71.4442 173.7796 114 R 4.8726 8.8607 125.8450 54.5851 33.0232 175.7753 115 V 5.1235 7.3268 119.4379 59.4807 34.9873 174.9195 116 G 2.7738 6.3123 106.6936 45.6215 0.0000 171.0504 117 Y 5.4535 7.3197 116.6557 55.9545 41.7551 174.2018 118 N 5.2230 9.3379 115.0910 52.4665 44.2145 173.8265 119 I 5.2764 8.4986 122.8648 59.8152 40.2274 174.3832 120 F 6.0343 9.4740 126.2636 55.7963 41.2088 175.6312 121 T 5.1376 8.6153 119.2064 61.8114 71.7531 174.4102 122 R 3.6912 8.0138 121.9404 55.4285 31.3344 176.9244 123 L 4.1010 7.5756 120.5564 55.7429 42.3329 175.5869 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 3 K 8.31 4.34 0.00 1.65 1.85 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.53 7.81 4 C 8.58 4.81 0.00 3.34 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.44 4.90 0.00 3.87 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 6 L 7.86 3.97 0.00 1.52 0.83 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.81 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 1.27 0.00 0.00 8 G 7.69 3.65 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 0.00 0.00 0.00 9 K 8.12 5.24 0.00 1.58 1.64 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 10 W 9.26 6.05 0.00 3.23 3.29 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 11 T 9.02 5.87 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 1.26 0.00 0.00 12 N 8.44 6.09 0.00 2.37 1.54 0.00 0.00 6.48 8.07 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 13 D 8.79 4.54 0.00 2.84 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 14 L 8.01 4.26 0.00 1.78 1.75 0.92 1.00 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 15 G 8.61 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.50 4.72 0.00 3.90 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 17 N 8.07 5.37 0.00 2.77 2.67 0.00 0.00 7.13 7.15 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 18 M 9.21 5.12 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 19 T 8.83 5.04 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 1.20 0.00 0.00 20 I 8.79 4.78 1.86 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.47 0.52 0.00 0.00 21 G 9.63 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 22 A 8.61 4.09 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 23 V 8.08 4.36 2.21 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 0.91 0.00 0.00 1.15 0.00 0.00 24 N 8.39 4.61 0.00 2.98 3.05 0.00 0.00 5.91 7.64 0.00 0.00 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 S 8.55 4.33 0.00 4.01 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 26 R 8.23 4.36 0.00 1.79 1.97 0.00 3.21 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 27 G 8.92 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 28 E 8.38 5.24 0.00 1.91 1.79 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 2.12 2.14 0.00 29 F 6.96 4.91 0.00 3.05 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 30 T 8.36 4.80 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 1.32 0.00 0.00 31 G 8.31 4.82 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 32 T 8.44 5.23 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 1.24 0.00 0.00 33 Y 9.57 5.06 0.00 2.95 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 34 I 9.37 5.06 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.23 1.00 0.00 0.00 35 T 9.05 4.48 4.62 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 36 A 8.62 4.58 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 37 V 7.31 4.25 2.05 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 0.69 0.00 0.00 0.90 0.00 0.00 38 A 7.64 3.91 0.56 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 39 D 8.40 4.48 0.00 2.60 2.73 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 40 N 7.45 4.85 0.00 2.67 2.66 0.00 0.00 6.05 7.75 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 41 P 0.00 4.00 0.00 1.97 1.84 0.00 3.53 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 42 G 7.74 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 0.00 0.00 0.00 *44 I 7.34 3.54 1.65 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.01 0.91 0.00 0.00 45 T 8.64 4.77 4.35 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 0.00 0.00 0.00 1.31 0.00 0.00 46 L 8.72 4.56 0.00 1.63 1.73 0.96 0.80 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 47 S 9.04 5.04 0.00 3.89 3.76 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 48 P 0.00 5.06 0.00 2.08 2.16 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 49 L 8.81 5.35 0.00 1.91 1.72 0.83 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.86 5.06 0.00 1.51 1.47 0.85 0.86 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 51 G 7.41 4.65 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 0.00 0.00 0.00 52 I 8.11 5.22 1.84 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 1.26 0.55 0.91 0.00 0.00 53 Q 9.31 5.35 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 54 H 8.92 4.20 0.00 3.16 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 8.38 4.59 0.00 1.92 1.99 0.00 1.17 0.00 0.00 2.38 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 58 R 8.03 4.31 0.00 1.84 2.01 0.00 3.26 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 59 A 7.88 4.13 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 60 S 8.62 4.41 0.00 4.03 4.13 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 61 Q 7.78 5.32 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 62 P 0.00 4.63 0.00 2.22 2.40 0.00 3.63 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 2.10 2.03 0.00 63 T 8.45 5.20 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 1.25 0.00 0.00 64 F 8.32 5.49 0.00 3.48 3.23 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 65 G 9.48 4.48 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 0.00 0.00 0.00 66 F 8.87 5.58 0.00 3.22 3.34 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 67 T 9.46 4.98 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 1.13 0.00 0.00 68 V 8.79 4.35 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 -0.47 0.00 0.00 0.77 0.00 0.00 69 N 8.17 4.57 0.00 2.69 2.63 0.00 0.00 7.29 7.26 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 70 W 7.42 4.28 0.00 3.03 2.01 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 71 K 9.02 4.16 0.00 1.96 1.93 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.45 7.81 72 F 7.25 4.55 0.00 3.14 3.20 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 73 S 6.99 4.53 0.00 4.06 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 74 E 8.73 4.58 0.00 1.87 2.00 0.00 0.00 0.00 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 75 S 8.07 4.83 0.00 3.98 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 76 T 8.79 4.91 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 1.12 0.00 0.00 77 T 8.11 4.95 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 0.62 0.00 0.00 78 V 9.06 4.76 2.00 0.00 0.00 0.00 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 0.92 0.00 0.00 79 F 8.93 5.22 0.00 1.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 4.69 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 1.15 0.00 0.00 81 G 6.22 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 0.00 0.00 0.00 82 Q 7.69 5.03 0.00 1.94 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.94 0.00 0.00 0.00 0.00 0.00 1.21 2.38 0.00 83 C 9.23 5.05 0.00 2.97 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 84 F 9.28 5.45 0.00 3.12 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 85 I 8.97 5.12 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 1.31 1.20 1.01 0.00 0.00 86 D 8.31 4.81 0.00 2.88 2.59 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 87 R 8.42 4.14 0.00 1.80 1.94 0.00 3.28 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 *89 G 7.92 4.16 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 0.00 90 K 7.43 4.62 0.00 1.98 1.92 0.00 1.57 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.63 7.81 91 E 8.40 5.47 0.00 1.91 2.31 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 2.42 2.25 0.00 92 V 8.59 5.18 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 0.92 0.00 0.00 1.14 0.00 0.00 93 L 9.33 5.11 0.00 1.70 1.71 -0.49 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.06 4.97 0.00 1.99 1.94 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.54 7.81 95 T 9.27 5.35 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 1.54 0.00 0.00 96 M 9.09 5.38 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 97 W 8.55 5.49 0.00 2.61 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 0.00 0.00 0.00 0.00 98 L 8.86 5.38 0.00 1.59 1.62 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.14 5.02 0.00 1.67 1.70 1.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.77 5.06 0.00 1.83 1.89 0.00 3.29 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 101 S 8.77 5.08 0.00 3.71 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 0.00 102 S 8.57 4.40 0.00 3.88 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 0.00 103 V 8.16 4.44 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 0.69 0.00 0.00 0.98 0.00 0.00 104 N 8.70 4.50 0.00 2.71 2.88 0.00 0.00 6.69 8.06 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 0.00 105 D 7.71 4.92 0.00 2.71 2.68 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 0.00 0.00 0.00 0.00 106 I 8.57 3.67 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 1.38 1.21 0.93 0.00 0.00 107 G 7.85 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 0.00 0.00 0.00 108 D 8.37 4.65 0.00 2.82 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 0.00 109 D 8.15 4.31 0.00 2.85 2.75 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 0.00 110 W 8.37 4.45 0.00 3.61 3.26 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 0.00 111 K 6.60 3.77 0.00 1.01 0.74 0.00 1.07 0.00 0.00 1.29 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.30 7.81 112 A 8.10 4.40 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 0.00 113 T 7.57 5.04 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 0.00 114 R 8.86 4.87 0.00 1.97 2.07 0.00 3.14 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 115 V 7.33 5.12 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 0.45 0.00 0.00 0.74 0.00 0.00 116 G 6.31 2.77 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 0.00 117 Y 7.32 5.45 0.00 3.10 2.83 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 0.00 118 N 9.34 5.22 0.00 3.42 2.80 0.00 0.00 7.19 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 0.00 119 I 8.50 5.28 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 1.09 0.00 0.00 120 F 9.47 6.03 0.00 3.01 3.34 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 0.00 121 T 8.62 5.14 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 1.29 0.00 0.00 122 R 8.01 3.69 0.00 1.38 1.39 0.00 3.18 0.00 0.00 3.47 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 123 L 7.58 4.10 0.00 1.49 1.35 0.89 0.78 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 * Residues marked with a * may have inaccurate shift predictions.