NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4381 8.3349 115.3085 58.3774 63.5547 173.7913 2 L 4.7880 8.3642 125.5702 54.1125 42.1358 176.7047 3 L 4.0458 8.3305 122.9665 58.4323 42.0377 179.3415 4 Q 4.2144 8.0585 117.1683 58.6959 28.6156 178.3509 5 F 4.5803 8.2996 121.3429 61.5728 39.5545 176.6418 6 N 4.1713 9.1153 116.8483 56.4531 38.3839 177.5415 7 K 4.0623 8.2046 119.7159 59.7507 32.1333 179.3744 8 M 4.1280 8.1660 119.0630 58.2253 31.7926 178.9184 9 I 3.3752 7.7752 120.3672 64.0379 37.2063 178.0125 10 K 4.5986 8.1034 122.1199 59.1397 31.7383 178.3749 11 F 4.1699 8.1130 119.0230 61.2476 39.3466 176.4113 12 E 3.9819 8.1762 117.4578 58.1463 29.6515 177.9750 13 T 4.2502 8.2219 107.2840 60.6154 70.1596 175.6805 14 R 3.7935 8.0334 120.2840 56.8346 28.8729 175.7810 *16 K 4.2167 7.3836 116.2687 56.1250 33.1829 174.7608 17 N 4.8624 8.0469 118.0989 52.4227 39.7547 175.3990 18 A 4.3671 8.8756 125.0302 55.1675 18.6641 177.7851 19 V 4.6717 7.8404 114.7839 61.4229 32.2791 173.6095 20 P 5.0788 0.0000 0.0000 62.4395 32.1078 176.6643 21 F 4.3118 8.4794 117.8039 59.6063 38.9076 175.5365 22 Y 4.6813 8.8298 116.8181 58.5258 40.2230 176.8870 23 A 3.9202 8.0637 122.2651 54.6952 18.7992 176.5918 24 F 5.3509 7.6642 113.9214 55.7711 40.0853 171.6507 25 Y 4.8418 8.3850 123.1407 56.2509 42.5065 175.5281 26 G 3.2992 8.2348 115.9458 46.8848 0.0000 173.3694 27 C 4.6176 9.7320 116.5374 57.5756 37.4226 174.7808 28 Y 4.1497 8.7470 116.1466 58.0813 40.1400 174.7403 29 C 4.2339 8.2496 118.3803 59.3328 40.0814 173.9454 30 G 4.4825 8.7170 112.1504 45.2905 0.0000 173.6942 31 W 3.4403 8.0014 120.4461 56.6731 28.5997 174.6322 32 G 3.8662 9.1647 103.9984 46.3941 0.0000 174.2229 33 G 3.6516 7.3707 105.3110 45.1348 0.0000 173.6468 34 Q 4.6709 6.7760 117.7253 56.9841 31.7924 175.5685 35 G 4.3267 9.2434 105.3822 46.5553 0.0000 172.3357 36 R 4.8055 8.8556 120.8686 53.1761 32.5227 174.2220 37 P 4.6769 0.0000 0.0000 63.5758 31.9524 177.2131 38 K 4.0614 9.0547 124.3398 57.0792 32.1047 173.8500 39 D 4.9424 7.6556 117.4773 50.9218 42.5407 175.0269 40 A 3.9765 7.9124 121.2660 56.1025 18.0995 180.1067 41 T 3.7620 7.9747 113.6352 66.9810 68.5480 176.0820 42 D 4.5009 8.9268 120.1124 57.5019 41.2413 178.2620 43 R 3.8918 8.2921 119.3858 59.4612 29.9533 177.8619 44 C 4.3111 8.1039 116.4772 60.3097 38.3652 175.4975 45 C 4.1176 8.0349 118.2167 59.7533 40.9078 175.9515 46 F 3.7415 8.3207 122.5039 61.1498 38.9445 177.4557 47 V 3.4177 8.4166 118.2928 66.1070 31.3311 177.3869 48 H 3.9805 8.6063 118.4558 59.0773 29.5466 176.7162 49 D 4.1621 8.0921 120.1006 57.6224 40.9091 177.5141 50 C 4.0945 7.5289 115.4953 60.0255 38.3360 174.9896 51 C 4.3245 8.5185 120.2729 60.2345 37.4196 175.2842 52 Y 4.4764 8.3532 118.2367 61.3088 37.2068 179.2203 53 G 3.7305 8.1591 106.0831 47.4945 0.0000 175.3536 54 K 4.3038 7.9484 118.4863 57.2197 33.3432 177.3895 55 L 4.6326 7.5135 121.1872 53.8635 40.8743 176.9827 56 A 4.1278 7.8895 123.5341 54.9471 19.1659 179.3383 *59 K 4.2239 7.8829 113.7231 57.1918 34.7145 177.9321 *61 C 5.0063 7.8148 114.6009 57.1076 41.7297 174.4842 *67 N 4.8269 7.9667 116.0789 53.1510 39.9099 174.8477 68 T 4.4315 7.8052 113.6010 64.2133 69.7282 175.3240 69 K 4.5900 7.6091 121.2993 55.4304 33.3807 174.7524 70 W 4.2298 8.1930 134.3778 55.1063 29.2952 174.8503 71 D 4.4545 7.7253 120.7831 53.8421 41.2628 176.4932 72 I 3.8627 8.2538 124.5338 61.1894 37.5713 175.6717 73 Y 4.6068 7.9603 126.2516 56.2626 40.0493 175.0373 74 R 5.0101 8.4677 119.0711 55.4406 33.0915 171.3583 75 Y 5.2892 8.2266 118.8505 55.8245 41.7234 173.3054 76 S 4.3776 9.2734 113.8576 57.0193 67.4617 172.9387 77 L 4.9015 8.3057 120.1054 53.4539 42.1818 176.6378 78 K 4.4140 8.8362 124.8621 55.3918 33.8003 177.0789 79 S 3.6330 9.4977 121.0401 59.6646 60.2255 173.1154 80 G 3.8999 8.3972 104.3570 46.1392 0.0000 173.1839 81 Y 5.2059 7.6873 117.5854 55.5496 40.9697 175.2050 82 I 4.0421 8.8760 125.0522 62.1853 37.9532 175.4988 83 T 4.6733 9.3270 124.4152 61.5631 71.6561 173.1102 84 C 4.4884 8.8316 124.5067 57.2491 41.5926 173.5738 *86 G 4.0953 8.3358 109.3500 46.2002 0.0000 171.4753 87 K 4.9823 7.5911 117.3728 53.7004 35.3686 176.8199 88 G 4.0712 7.8608 111.5828 44.7979 0.0000 174.2643 89 T 4.0707 7.9894 114.5726 61.2649 70.6933 174.8087 90 W 4.2933 8.8708 131.7712 61.0872 30.5484 178.9853 91 C 4.0058 8.2688 115.6698 59.8768 39.3167 175.7688 92 K 3.7296 7.9754 120.0384 59.8066 31.8170 179.2030 93 E 3.7130 7.8858 118.4402 59.3678 29.3288 179.4745 94 Q 3.6118 7.6011 118.4287 58.4447 28.6431 178.6982 95 I 3.3606 7.8202 121.3556 64.3621 37.1029 177.6349 96 C 2.7595 7.6509 119.5517 59.0619 44.2778 175.2161 97 E 3.7415 7.8983 121.0864 59.1332 29.0720 178.2231 98 C 4.2250 8.0157 116.5942 60.0972 35.6511 175.5704 99 D 3.7969 8.0516 120.3196 57.2873 40.4674 178.8383 100 R 3.8128 8.2425 119.3171 59.6636 30.0236 178.6437 101 V 3.5464 7.9258 117.6667 65.7708 31.4617 177.8421 102 A 3.9298 8.2613 120.3371 55.0994 18.3356 179.1305 103 A 3.7124 8.7328 119.5955 55.4299 18.4017 179.4121 104 E 3.8032 8.0759 117.4359 59.5619 29.6591 177.9745 105 C 4.1470 8.2770 118.5208 59.9167 43.4186 175.5497 106 L 3.7864 8.0461 119.4668 57.6310 41.3823 179.2960 107 R 3.9542 7.7424 118.5359 59.6478 29.6729 178.7868 108 R 3.9479 8.0703 117.7727 59.3222 30.0567 178.6117 109 S 4.1842 8.2508 113.3704 59.6688 62.6294 175.9790 110 L 4.1374 7.9720 122.9167 57.3401 41.0587 179.2296 111 S 4.0228 7.6039 113.6789 60.3288 63.1302 174.8310 112 T 4.4787 7.6281 109.6020 60.7668 69.6423 173.6126 113 Y 4.0092 7.4980 124.5614 58.1714 39.3194 175.0443 114 K 4.7742 8.2891 125.6522 54.3529 34.9113 177.0502 115 N 4.5283 9.0797 122.1791 56.0956 38.6631 176.4069 116 E 4.3043 8.0915 113.8554 57.7969 30.1116 176.6561 117 Y 4.5528 7.8627 117.7186 58.1839 38.3576 175.4344 118 M 4.3797 7.6069 120.1177 56.1737 32.5401 175.7530 119 F 3.8924 8.4621 119.3024 57.9039 37.4670 175.4100 120 Y 4.0966 8.2522 119.7275 57.2360 39.0346 174.1406 121 P 4.1960 0.0000 0.0000 63.1257 31.9034 176.6473 122 D 4.4699 8.4773 119.8104 55.1592 39.9921 177.9333 *124 S 4.3463 7.9271 113.8807 58.5162 64.6359 174.7837 125 R 4.1674 7.3026 115.4762 56.9100 29.6182 176.0509 126 C 4.8864 7.9688 115.1967 56.9161 40.5627 174.2892 127 R 4.2304 7.6528 117.9261 56.5226 30.4633 176.2952 128 E 4.5359 7.8645 116.5780 54.5503 31.8863 174.3314 129 P 4.6760 0.0000 0.0000 62.8830 31.8077 176.9107 130 S 5.0496 8.6709 120.3797 57.9520 63.7686 173.7039 131 E 4.1555 8.8370 124.9622 55.8388 30.1020 176.4822 132 T 4.0048 8.7355 116.9599 65.4081 68.8792 174.5834 133 C 4.2956 8.6714 122.4611 56.9213 40.8421 173.0235 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 S 8.33 4.44 0.00 3.90 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 2 L 8.36 4.79 0.00 1.99 2.06 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.33 4.05 0.00 1.90 1.77 0.98 0.85 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 4 Q 8.06 4.21 0.00 1.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 5 F 8.30 4.58 0.00 3.42 3.38 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 6 N 9.12 4.17 0.00 2.95 2.90 0.00 0.00 7.10 7.32 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 7 K 8.20 4.06 0.00 2.19 2.07 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.68 7.81 8 M 8.17 4.13 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 9 I 7.78 3.38 1.74 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.03 0.54 0.00 0.00 10 K 8.10 4.60 0.00 1.97 1.97 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.58 1.51 7.81 11 F 8.11 4.17 0.00 3.11 3.30 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 12 E 8.18 3.98 0.00 1.88 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 2.60 2.38 0.00 13 T 8.22 4.25 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 1.02 0.00 0.00 14 R 8.03 3.79 0.00 1.91 2.01 0.00 3.05 0.00 0.00 3.07 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 *16 K 7.38 4.22 0.00 1.80 1.16 0.00 1.41 0.00 0.00 0.92 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 1.28 7.81 17 N 8.05 4.86 0.00 2.97 2.83 0.00 0.00 6.91 7.35 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 18 A 8.88 4.37 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 19 V 7.84 4.67 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 1.17 0.00 0.00 1.05 0.00 0.00 20 P 0.00 5.08 0.00 2.43 2.59 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 21 F 8.48 4.31 0.00 2.77 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 22 Y 8.83 4.68 0.00 2.91 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 23 A 8.06 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.66 5.35 0.00 2.40 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 25 Y 8.38 4.84 0.00 3.01 2.71 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 26 G 8.23 3.30 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 0.00 27 C 9.73 4.62 0.00 3.18 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 28 Y 8.75 4.15 0.00 3.25 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 29 C 8.25 4.23 0.00 3.22 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 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 31 W 8.00 3.44 0.00 3.88 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 32 G 9.16 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.37 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 34 Q 6.78 4.67 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.10 2.37 0.00 35 G 9.24 4.33 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 0.00 36 R 8.86 4.81 0.00 1.82 1.75 0.00 3.12 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 37 P 0.00 4.68 0.00 2.16 1.92 0.00 3.33 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.25 0.00 38 K 9.05 4.06 0.00 1.80 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.00 7.81 39 D 7.66 4.94 0.00 2.82 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 40 A 7.91 3.98 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 41 T 7.97 3.76 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 0.77 0.00 0.00 42 D 8.93 4.50 0.00 3.10 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 43 R 8.29 3.89 0.00 1.97 2.09 0.00 3.13 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 44 C 8.10 4.31 0.00 3.16 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 45 C 8.03 4.12 0.00 3.13 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 46 F 8.32 3.74 0.00 2.56 3.02 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 47 V 8.42 3.42 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 0.81 0.00 0.00 1.07 0.00 0.00 48 H 8.61 3.98 0.00 3.13 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.09 4.16 0.00 2.73 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 50 C 7.53 4.09 0.00 2.89 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 51 C 8.52 4.32 0.00 3.04 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 52 Y 8.35 4.48 0.00 3.24 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 53 G 8.16 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 54 K 7.95 4.30 0.00 1.93 1.95 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.69 7.81 55 L 7.51 4.63 0.00 2.00 1.63 0.61 0.91 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 56 A 7.89 4.13 1.35 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 0.00 0.00 0.00 *59 K 7.88 4.22 0.00 1.92 2.08 0.00 1.77 0.00 0.00 2.12 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.68 1.24 7.81 *61 C 7.81 5.01 0.00 3.06 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 *67 N 7.97 4.83 0.00 2.82 2.97 0.00 0.00 6.94 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 68 T 7.81 4.43 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 69 K 7.61 4.59 0.00 1.74 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.40 7.81 70 W 8.19 4.23 0.00 3.41 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 71 D 7.73 4.45 0.00 2.60 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 72 I 8.25 3.86 1.84 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 1.49 0.49 0.80 0.00 0.00 73 Y 7.96 4.61 0.00 3.04 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 74 R 8.47 5.01 0.00 1.56 1.68 0.00 3.25 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 75 Y 8.23 5.29 0.00 3.09 3.14 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 76 S 9.27 4.38 0.00 3.77 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 77 L 8.31 4.90 0.00 1.43 1.52 0.62 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.84 4.41 0.00 1.84 1.72 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 79 S 9.50 3.63 0.00 3.93 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 80 G 8.40 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 81 Y 7.69 5.21 0.00 3.12 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 82 I 8.88 4.04 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 1.18 0.63 0.69 0.00 0.00 83 T 9.33 4.67 4.38 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 1.25 0.00 0.00 84 C 8.83 4.49 0.00 2.80 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 *86 G 8.34 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 87 K 7.59 4.98 0.00 1.72 1.70 0.00 1.86 0.00 0.00 2.37 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.35 7.81 88 G 7.86 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 0.00 0.00 0.00 89 T 7.99 4.07 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 90 W 8.87 4.29 0.00 3.36 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 91 C 8.27 4.01 0.00 2.92 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 92 K 7.98 3.73 0.00 1.90 1.91 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 93 E 7.89 3.71 0.00 1.88 1.73 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 2.37 2.34 0.00 94 Q 7.60 3.61 0.00 1.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 95 I 7.82 3.36 1.55 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 0.06 0.19 0.79 0.00 0.00 96 C 7.65 2.76 0.00 1.48 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 3.74 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 98 C 8.02 4.23 0.00 3.44 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 99 D 8.05 3.80 0.00 2.86 3.04 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 0.00 100 R 8.24 3.81 0.00 1.80 1.99 0.00 3.04 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 101 V 7.93 3.55 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 1.00 0.00 0.00 0.91 0.00 0.00 102 A 8.26 3.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.73 3.71 1.36 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 0.00 0.00 0.00 104 E 8.08 3.80 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 2.28 2.31 0.00 105 C 8.28 4.15 0.00 3.12 3.31 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 0.00 106 L 8.05 3.79 0.00 1.49 1.28 0.06 0.82 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 0.00 107 R 7.74 3.95 0.00 1.92 2.12 0.00 3.03 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 108 R 8.07 3.95 0.00 2.04 1.96 0.00 3.16 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 109 S 8.25 4.18 0.00 4.02 3.99 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 0.00 110 L 7.97 4.14 0.00 1.78 1.70 0.84 0.50 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 0.00 111 S 7.60 4.02 0.00 3.97 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 0.00 112 T 7.63 4.48 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 1.22 0.00 0.00 113 Y 7.50 4.01 0.00 2.98 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 0.00 114 K 8.29 4.77 0.00 1.06 1.27 0.00 0.90 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.30 7.81 115 N 9.08 4.53 0.00 2.86 2.98 0.00 0.00 6.87 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 0.00 116 E 8.09 4.30 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 2.10 2.28 0.00 117 Y 7.86 4.55 0.00 1.96 1.48 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 0.00 118 M 7.61 4.38 0.00 1.57 2.11 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.48 0.00 119 F 8.46 3.89 0.00 3.12 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 0.00 120 Y 8.25 4.10 0.00 2.90 2.96 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 0.00 121 P 0.00 4.20 0.00 2.00 1.98 0.00 2.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.56 0.00 122 D 8.48 4.47 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 *124 S 7.93 4.35 0.00 3.95 3.99 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 0.00 125 R 7.30 4.17 0.00 1.46 2.02 0.00 2.88 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 0.00 126 C 7.97 4.89 0.00 3.11 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 0.00 127 R 7.65 4.23 0.00 1.78 1.93 0.00 3.18 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 128 E 7.86 4.54 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 129 P 0.00 4.68 0.00 1.95 2.02 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 130 S 8.67 5.05 0.00 3.88 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 0.00 131 E 8.84 4.16 0.00 1.62 1.42 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 2.30 2.21 0.00 132 T 8.74 4.00 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 1.26 0.00 0.00 133 C 8.67 4.30 0.00 3.04 3.35 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 0.00 * Residues marked with a * may have inaccurate shift predictions.