NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.5274 8.3049 120.3474 55.5618 33.0711 174.8694 6 I 3.5495 8.6223 128.9177 62.1597 37.6785 173.4053 7 G 3.7697 9.2573 118.7122 45.9591 0.0000 171.9010 8 T 4.8752 8.0736 114.2751 59.6845 72.9836 172.4108 9 Q 5.2834 8.6373 119.3893 54.1583 32.9497 174.8361 10 I 4.6444 8.6109 119.9769 59.5249 41.6541 175.2403 11 V 4.4210 8.3268 121.4084 60.5598 33.2846 177.0044 12 T 4.0929 8.7719 118.6395 67.4910 68.2864 176.2610 13 E 4.0987 8.4134 119.3984 59.9031 29.5096 179.6968 14 R 4.0323 7.9656 117.2784 58.7027 30.2620 178.6289 15 L 3.9288 8.1647 120.5884 58.1913 42.0387 179.2459 16 V 3.5522 7.9842 118.0284 65.7800 31.1334 177.7545 17 A 3.9468 7.8268 119.8183 55.0093 17.9860 179.1281 18 L 4.0385 7.9597 118.8042 58.2789 41.9931 179.2138 19 L 4.0113 8.1540 118.1420 57.8141 41.7066 178.9913 20 E 4.1060 8.3979 116.8987 56.9411 29.8082 176.9337 21 S 4.7635 7.1050 113.5972 56.6217 64.7681 173.9600 22 G 4.0248 8.4624 111.2982 46.5490 0.0000 175.3176 23 T 4.1192 7.7032 118.2692 65.5001 68.7449 175.2446 24 E 4.7273 7.7179 117.5780 54.1431 33.5155 174.6626 25 K 4.4028 8.4509 122.7015 55.4816 33.7696 175.1801 26 V 4.8028 8.3901 127.1687 61.0677 33.9354 174.3743 27 L 4.4668 8.9255 130.3141 53.4789 43.7164 174.5331 28 L 5.0325 8.3617 129.3819 53.7845 44.1373 174.8912 29 I 4.8089 8.6754 127.0721 59.4840 40.5032 173.8833 30 D 3.7109 8.9165 127.9818 52.1064 42.4018 176.0903 31 S 5.1286 8.0330 120.8011 57.6069 63.8463 174.6122 32 R 4.4151 7.9220 119.6432 54.6196 31.6293 175.0488 33 P 4.4310 0.0000 0.0000 62.7671 33.0805 177.8194 34 F 4.5934 8.9742 117.6377 59.5564 37.7868 177.9203 35 V 3.1265 6.5403 118.3274 65.5946 31.1686 177.6738 36 E 3.8480 7.8683 117.7278 59.5964 29.2253 178.0954 37 Y 4.0771 7.5791 117.8048 61.2298 38.9006 177.7742 38 N 4.2588 8.8218 116.7983 56.4996 39.0441 177.3988 39 T 3.9369 7.9495 117.1209 65.0293 68.7699 174.0524 40 S 5.4771 7.8252 110.6377 58.7752 66.2244 174.2989 41 H 4.4861 7.8812 120.1994 54.4190 32.3123 172.2751 42 I 4.6099 8.6521 119.8714 60.6940 37.9775 175.9713 43 L 4.2485 8.5935 126.6493 56.3481 40.6351 176.9555 44 E 3.8128 9.0967 120.3110 57.3665 27.1262 173.9142 45 A 4.7882 7.9359 119.2041 51.1811 20.5127 177.9297 46 I 4.0800 8.8398 123.4165 60.1605 38.6919 174.6598 47 N 4.4000 8.1207 126.2479 53.0279 39.6098 173.5395 48 I 4.2611 8.3798 128.3336 59.1063 39.3175 174.8291 49 N 4.2694 8.8140 125.4760 54.4634 39.0271 174.4150 50 C 3.0733 8.1751 127.5810 59.1103 31.9882 173.7988 51 S 4.2174 6.9800 112.5603 57.4315 64.2428 173.2217 52 K 4.0084 8.3924 128.1262 59.2656 32.0468 179.4162 53 L 3.9989 7.7310 119.1354 58.0282 41.7529 178.8852 54 M 4.0953 7.9450 117.6286 58.3187 32.1808 177.9257 55 K 4.1862 8.3080 120.0718 59.5568 32.3324 178.7469 56 R 4.0761 7.8089 118.9934 59.6547 29.9379 178.7829 57 R 3.9589 8.0821 117.8535 58.9691 30.0094 179.0732 58 L 4.1621 8.1271 119.2927 57.8245 41.4666 179.4198 59 Q 4.1296 7.9720 116.0560 58.7366 28.8429 177.5924 60 Q 4.1507 8.2963 118.4683 55.8581 28.9209 175.5773 61 D 4.5263 7.6439 118.6640 55.3714 38.8969 174.6603 62 K 4.3220 8.2863 118.3195 56.7666 32.7635 177.2219 63 V 4.4486 7.4136 117.8265 60.2797 34.5408 174.7331 64 L 4.6296 8.1490 125.8058 53.1674 44.2540 177.8207 65 I 3.6810 8.3340 122.7178 64.6049 37.4344 178.3590 66 T 3.9298 7.8975 110.0877 64.6608 68.6636 176.0318 67 E 3.9651 7.9663 121.8238 58.9054 29.7908 178.3235 68 L 3.9581 8.2732 120.7919 58.0764 41.9548 178.7683 69 I 3.6443 7.7529 118.9382 64.7308 37.2078 177.9450 70 Q 4.1685 7.9440 121.5028 59.9696 28.6485 178.3587 *71 H 4.2672 7.9966 118.9055 59.0881 28.1445 179.7614 72 S 4.6163 7.7780 113.4716 58.3937 63.1738 173.8457 73 A 4.4715 6.9120 125.7949 50.6339 19.5740 177.5009 74 K 4.0418 8.9435 125.8285 60.4216 32.3602 178.2102 *75 H 4.3411 8.0227 115.6750 54.4877 28.6015 177.4791 76 K 4.4201 8.3921 122.0680 55.1464 30.7428 177.0746 77 V 3.8638 8.3746 123.2085 59.5619 32.2143 173.0080 78 D 4.6411 8.6044 123.8074 52.7921 41.3790 175.4594 79 I 4.4554 8.1412 120.7856 59.3861 39.0824 174.8825 80 D 4.3979 8.5450 123.0999 53.3706 43.7647 175.2724 81 C 4.2926 8.7266 121.5117 59.6025 29.6754 174.7472 82 S 4.6020 7.8394 114.8285 59.0307 63.4841 174.5416 83 Q 4.3168 8.2542 121.9026 55.9468 29.2560 176.3295 84 K 4.1400 8.8779 124.2456 56.4334 33.3475 176.0294 85 V 4.5706 8.5554 126.1142 61.1344 33.5189 174.3926 86 V 4.7733 8.4884 128.3105 61.2298 33.6121 174.5017 87 V 4.9993 8.8060 128.3626 61.6682 34.3748 173.8337 88 Y 5.2474 8.2595 122.0564 55.9269 41.4969 173.5406 89 D 5.4100 8.5920 121.3355 53.1338 42.8701 176.5161 90 Q 4.2729 9.0644 116.4269 59.0463 30.4249 179.8610 91 S 5.5004 7.5197 110.8973 58.3695 63.3470 175.0140 92 S 4.3409 8.5530 118.0057 59.7477 63.1200 175.8660 93 Q 4.0470 8.9643 124.4384 58.5576 28.6500 175.4198 94 D 4.6872 7.6051 113.8919 51.9307 42.8305 176.3032 95 V 3.6345 8.4302 118.6343 65.8678 31.6278 177.8641 96 A 4.0839 7.4314 118.9677 54.6630 18.2783 178.0252 97 S 4.5588 8.0850 109.0340 58.4466 63.2094 174.0028 98 L 4.6788 7.4484 120.8900 53.3130 43.3458 176.4185 99 S 4.4918 8.2637 115.8227 57.5630 64.0051 175.5774 100 S 4.1942 8.6904 117.2178 60.6168 62.7610 174.2526 101 D 4.8071 7.5244 117.1495 53.5004 41.9908 175.6364 102 C 4.5522 7.7856 114.3350 58.0180 31.8283 174.4058 103 F 4.1099 8.6265 121.6693 61.4083 38.9701 176.3177 104 L 3.7352 8.1653 119.4882 58.6470 41.7071 178.9448 105 T 3.7946 7.8090 114.8040 66.6420 68.5854 176.5501 106 V 3.5011 7.6975 120.0581 65.8256 31.5245 177.7462 107 L 3.6652 8.0649 120.5217 58.0783 41.7896 178.9703 108 L 4.0584 8.1552 119.3465 57.5199 41.2804 179.6871 109 G 3.5788 7.8239 105.2372 47.9161 0.0000 175.8124 110 K 3.9615 7.8302 121.3837 59.0027 31.9497 179.5367 111 L 4.2869 8.0348 119.1887 57.8751 41.3925 179.3294 112 E 4.0412 8.4466 117.5622 58.7729 29.3841 178.9513 113 K 4.1720 7.6792 117.8750 58.1963 32.3870 177.8285 114 S 4.4072 7.5052 111.8609 58.3785 63.9432 174.2105 115 F 5.0573 8.1708 118.4770 55.3792 42.1962 174.9198 116 N 4.4152 8.9182 122.1032 55.7262 38.7200 175.3597 117 S 4.6498 8.0786 115.3604 56.7316 65.3801 173.3801 118 V 4.8090 8.1683 124.6408 61.2294 33.7682 174.3997 119 H 5.2116 9.0930 124.2911 53.9125 33.0803 172.3952 120 L 4.7828 8.9388 124.9370 54.3377 43.9676 175.2716 121 L 4.7221 8.9418 128.4027 54.2261 43.3122 175.7313 122 A 4.3308 8.6970 130.5267 54.7348 18.5218 177.3801 123 G 3.9051 9.0136 113.0245 44.4064 0.0000 174.4980 124 G 4.3854 7.9274 108.3951 45.1857 0.0000 173.6912 125 F 4.0914 9.0480 119.2466 61.0418 38.8829 177.9085 126 A 3.9657 8.2751 120.7144 55.3280 18.3147 179.3059 127 E 3.8334 8.0790 116.9823 59.1918 29.8051 178.4115 128 F 4.0017 8.1403 120.9873 61.4126 39.2669 177.3501 129 S 3.8687 7.9432 112.4329 61.0549 62.6387 176.0440 130 R 3.8724 7.2138 121.6022 58.6993 29.8035 177.3815 131 C 4.1369 7.2393 114.7450 59.8736 30.2200 174.1004 132 F 4.5992 7.4468 120.1883 54.6668 38.8717 173.7611 133 P 4.2515 0.0000 0.0000 65.0224 31.7518 178.7271 134 G 3.8419 8.0822 104.9186 47.1223 0.0000 173.5493 135 L 4.8103 7.8548 119.3796 54.5795 43.0138 175.4550 136 C 5.5357 8.0724 116.0524 58.1956 31.0328 173.1766 137 E 4.6303 9.4798 121.6291 54.4093 32.2770 176.7613 138 G 3.9628 8.5852 111.7572 45.7466 0.0000 172.9568 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 5 M 8.30 4.53 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 6 I 8.62 3.55 1.87 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 1.23 0.88 0.92 0.00 0.00 7 G 9.26 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 8 T 8.07 4.88 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 1.25 0.00 0.00 9 Q 8.64 5.28 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 10 I 8.61 4.64 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 1.23 1.46 0.99 0.00 0.00 11 V 8.33 4.42 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 0.72 0.00 0.00 0.96 0.00 0.00 12 T 8.77 4.09 4.39 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 0.00 0.00 0.00 1.52 0.00 0.00 13 E 8.41 4.10 0.00 2.07 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 0.00 2.56 2.51 0.00 14 R 7.97 4.03 0.00 1.95 1.97 0.00 3.31 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 15 L 8.16 3.93 0.00 1.76 1.90 0.88 0.51 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 16 V 7.98 3.55 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 0.68 0.00 0.00 0.30 0.00 0.00 17 A 7.83 3.95 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 18 L 7.96 4.04 0.00 1.89 1.81 0.92 0.53 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 19 L 8.15 4.01 0.00 1.69 1.69 0.88 0.96 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 20 E 8.40 4.11 0.00 2.07 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 2.32 2.27 0.00 21 S 7.11 4.76 0.00 3.98 3.95 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 22 G 8.46 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 23 T 7.70 4.12 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 24 E 7.72 4.73 0.00 1.90 1.80 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 2.20 2.21 0.00 25 K 8.45 4.40 0.00 1.89 1.69 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.58 7.81 26 V 8.39 4.80 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 0.86 0.00 0.00 0.92 0.00 0.00 27 L 8.93 4.47 0.00 1.60 1.25 0.87 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.36 5.03 0.00 1.81 1.68 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.68 4.81 1.76 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 1.01 0.81 0.78 0.00 0.00 30 D 8.92 3.71 0.00 2.48 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 0.00 0.00 0.00 0.00 31 S 8.03 5.13 0.00 4.08 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 R 7.92 4.42 0.00 1.87 1.89 0.00 3.56 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 33 P 0.00 4.43 0.00 2.06 1.93 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 34 F 8.97 4.59 0.00 3.40 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 35 V 6.54 3.13 1.76 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 0.88 0.00 0.00 0.02 0.00 0.00 36 E 7.87 3.85 0.00 2.20 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 2.36 2.29 0.00 37 Y 7.58 4.08 0.00 2.85 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 38 N 8.82 4.26 0.00 2.78 2.90 0.00 0.00 7.20 6.42 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 39 T 7.95 3.94 4.42 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 1.21 0.00 0.00 40 S 7.83 5.48 0.00 3.86 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 41 H 7.88 4.49 0.00 3.40 3.37 0.00 5.51 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.65 4.61 1.73 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.93 0.47 0.00 0.00 43 L 8.59 4.25 0.00 1.78 1.82 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.10 3.81 0.00 2.17 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 2.26 2.33 0.00 45 A 7.94 4.79 1.56 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 46 I 8.84 4.08 1.88 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 1.10 0.54 0.82 0.00 0.00 47 N 8.12 4.40 0.00 1.44 2.06 0.00 0.00 7.04 7.82 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 48 I 8.38 4.26 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.91 1.04 0.00 0.00 49 N 8.81 4.27 0.00 2.56 2.67 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 50 C 8.18 3.07 0.00 3.01 2.69 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 0.00 0.00 0.00 0.00 51 S 6.98 4.22 0.00 3.78 3.54 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 52 K 8.39 4.01 0.00 1.93 1.76 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.50 1.10 7.81 53 L 7.73 4.00 0.00 1.74 1.68 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 M 7.95 4.10 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.74 0.00 55 K 8.31 4.19 0.00 2.41 2.09 0.00 1.93 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.60 7.81 56 R 7.81 4.08 0.00 1.95 2.13 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 57 R 8.08 3.96 0.00 1.94 1.97 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 58 L 8.13 4.16 0.00 1.89 1.70 0.94 0.60 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 59 Q 7.97 4.13 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 60 Q 8.30 4.15 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 61 D 7.64 4.53 0.00 2.84 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 62 K 8.29 4.32 0.00 1.72 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.51 7.81 63 V 7.41 4.45 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 0.85 0.00 0.00 0.94 0.00 0.00 64 L 8.15 4.63 0.00 1.73 1.54 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.33 3.68 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 1.05 0.00 0.00 66 T 7.90 3.93 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 1.11 0.00 0.00 67 E 7.97 3.97 0.00 2.05 2.20 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 2.37 2.36 0.00 68 L 8.27 3.96 0.00 1.91 1.82 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.75 3.64 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.93 0.00 0.00 70 Q 7.94 4.17 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 *71 H 8.00 4.27 0.00 3.09 2.97 0.00 7.25 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.78 4.62 0.00 3.94 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 73 A 6.91 4.47 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 74 K 8.94 4.04 0.00 2.06 1.91 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.01 7.81 *75 H 8.02 4.34 0.00 2.93 2.87 0.00 7.19 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 76 K 8.39 4.42 0.00 1.77 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 0.99 7.81 77 V 8.37 3.86 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 0.83 0.00 0.00 0.93 0.00 0.00 78 D 8.60 4.64 0.00 2.63 2.64 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 0.00 0.00 0.00 0.00 79 I 8.14 4.46 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.99 0.00 0.00 80 D 8.55 4.40 0.00 2.91 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.73 4.29 0.00 3.07 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 82 S 7.84 4.60 0.00 3.99 4.05 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 83 Q 8.25 4.32 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 84 K 8.88 4.14 0.00 1.70 1.77 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.55 7.81 85 V 8.56 4.57 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 0.73 0.00 0.00 0.03 0.00 0.00 86 V 8.49 4.77 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 0.97 0.00 0.00 0.94 0.00 0.00 87 V 8.81 5.00 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 0.94 0.00 0.00 0.86 0.00 0.00 88 Y 8.26 5.25 0.00 3.15 2.97 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 89 D 8.59 5.41 0.00 2.77 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 90 Q 9.06 4.27 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 91 S 7.52 5.50 0.00 3.92 3.93 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 92 S 8.55 4.34 0.00 3.99 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 93 Q 8.96 4.05 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 94 D 7.61 4.69 0.00 2.93 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 95 V 8.43 3.63 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 0.97 0.00 0.00 0.95 0.00 0.00 96 A 7.43 4.08 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 97 S 8.09 4.56 0.00 4.04 4.05 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 98 L 7.45 4.68 0.00 1.81 1.64 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.26 4.49 0.00 4.02 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 0.00 100 S 8.69 4.19 0.00 4.00 4.05 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 0.00 101 D 7.52 4.81 0.00 2.65 2.66 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 0.00 102 C 7.79 4.55 0.00 3.23 3.11 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 0.00 103 F 8.63 4.11 0.00 3.13 3.11 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 0.00 104 L 8.17 3.74 0.00 1.86 1.69 0.89 0.89 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 0.00 105 T 7.81 3.79 4.39 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 0.00 0.00 0.00 1.24 0.00 0.00 106 V 7.70 3.50 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 0.90 0.00 0.00 0.94 0.00 0.00 107 L 8.06 3.67 0.00 1.01 1.51 0.72 0.58 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 0.00 108 L 8.16 4.06 0.00 1.81 1.67 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.82 3.58 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 0.00 0.00 0.00 110 K 7.83 3.96 0.00 1.91 1.86 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.59 7.81 111 L 8.03 4.29 0.00 1.91 1.76 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.45 4.04 0.00 2.01 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 2.34 2.44 0.00 113 K 7.68 4.17 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 114 S 7.51 4.41 0.00 3.77 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 0.00 115 F 8.17 5.06 0.00 3.03 2.88 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 0.00 116 N 8.92 4.42 0.00 2.80 2.91 0.00 0.00 6.79 6.85 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 0.00 117 S 8.08 4.65 0.00 3.78 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 0.00 118 V 8.17 4.81 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 0.77 0.00 0.00 1.04 0.00 0.00 119 H 9.09 5.21 0.00 3.07 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.94 4.78 0.00 1.78 1.68 0.98 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.94 4.72 0.00 1.87 1.64 1.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.70 4.33 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 0.00 123 G 9.01 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 0.00 124 G 7.93 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.05 4.09 0.00 3.42 3.28 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 0.00 126 A 8.28 3.97 1.47 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 0.00 127 E 8.08 3.83 0.00 2.06 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 0.00 2.38 2.33 0.00 128 F 8.14 4.00 0.00 3.11 2.80 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 0.00 129 S 7.94 3.87 0.00 3.62 2.63 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 0.00 130 R 7.21 3.87 0.00 1.88 2.09 0.00 3.18 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 131 C 7.24 4.14 0.00 2.49 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 0.00 0.00 0.00 0.00 132 F 7.45 4.60 0.00 2.16 2.63 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 0.00 133 P 0.00 4.25 0.00 2.14 2.04 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 134 G 8.08 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 0.00 0.00 0.00 135 L 7.85 4.81 0.00 1.89 1.89 0.72 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 136 C 8.07 5.54 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 9.48 4.63 0.00 1.56 1.72 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 2.21 2.23 0.00 138 G 8.59 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 * Residues marked with a * may have inaccurate shift predictions.