NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.7015 8.3549 109.7364 46.6323 0.0000 178.8903 4 D 3.3700 8.4678 114.4530 50.3411 42.8064 173.2077 5 T 3.4535 8.2097 115.8657 63.5149 67.6406 171.6402 6 T 4.4282 7.6125 114.0507 62.0724 68.6761 172.5785 7 I 4.6353 8.4100 124.0918 59.9805 41.9391 173.2885 8 T 5.1186 8.5333 125.2235 61.8656 70.5712 173.5432 9 I 4.5693 9.0723 126.5827 59.0580 41.3648 173.8736 10 V 4.8236 8.0564 128.8243 61.4675 33.6674 174.6943 11 G 4.0013 8.4123 113.4492 46.5116 0.0000 171.5813 12 N 5.4150 8.1413 116.8100 51.6636 41.3461 174.8519 13 L 4.3344 8.5243 121.8261 54.5507 42.2787 178.3092 14 T 4.1093 8.7181 114.9536 64.8648 69.1323 174.1709 15 A 4.3896 8.0557 120.6479 50.9792 21.7083 174.8947 16 D 4.3051 8.7124 118.5916 53.4171 41.3313 175.7203 17 P 4.6661 0.0000 0.0000 63.1721 32.7614 175.7260 18 E 4.5150 9.2899 119.5325 54.8282 32.8814 174.8231 19 L 4.6287 8.5291 127.1433 54.2551 43.2790 175.6876 20 R 4.7208 8.3457 125.0439 54.6784 33.9845 174.5201 21 F 5.6783 9.0950 121.4233 55.3559 41.3859 173.9230 22 T 4.5809 8.4125 113.7605 59.7178 71.8958 173.4348 23 P 4.2616 0.0000 0.0000 61.2485 27.8745 175.8887 24 S 5.8254 8.6581 126.8928 58.2676 62.9402 177.1884 25 G 3.8903 7.9356 107.4940 46.7181 0.0000 172.7311 26 A 4.8294 7.9916 120.2597 49.6859 21.4049 176.7572 27 A 4.2242 8.5929 123.3739 51.3838 20.7335 176.8287 28 V 3.6111 8.7097 121.2417 60.6763 34.6082 174.6161 29 A 4.4897 8.8802 132.2039 51.5411 19.1501 175.6394 30 N 5.1366 8.8957 120.6007 52.5401 41.1432 174.7215 31 F 4.8957 7.3697 114.9003 56.6727 41.9037 172.3356 32 T 4.9091 8.1323 114.8953 60.3254 70.0969 172.7282 33 V 4.4930 8.8046 129.2198 62.2767 33.3387 174.2946 34 A 4.6519 9.2107 130.2542 50.2322 21.1007 175.1617 35 S 4.7110 9.0050 118.7831 57.2079 64.2125 172.8669 36 T 4.7778 8.4374 124.4880 60.5101 68.2281 173.8653 37 P 4.8008 0.0000 0.0000 62.0108 32.7803 174.0532 38 R 4.8762 8.4385 115.3258 57.2976 32.9903 171.1690 39 I 4.7857 8.0542 121.8650 58.2143 39.7873 171.9332 *40 Y 4.4907 7.9950 116.0047 58.3365 39.5912 172.4952 41 D 4.6545 7.9677 123.8343 50.7275 43.0280 172.1654 42 R 3.7131 8.0524 115.3176 57.5464 28.8377 176.2358 *49 D 4.4714 7.3682 114.5049 53.5146 41.0985 179.4474 50 G 3.8294 8.4512 114.1220 45.1574 0.0000 171.8467 51 E 3.9357 9.0007 125.7154 54.7654 29.4788 169.6562 52 A 5.0962 8.2742 119.0515 50.5468 22.8710 175.0667 53 L 4.6228 8.7984 122.2557 53.5304 44.0627 175.1516 54 F 4.8940 9.0940 125.3162 55.9653 40.6803 175.2585 55 L 4.7173 9.4560 125.7658 52.3694 44.3607 176.1498 56 R 4.0967 8.6327 121.9519 56.8924 30.2556 175.4895 57 C 4.9936 8.8641 122.2514 57.7659 31.5989 172.7984 58 N 4.7503 8.7107 118.1585 51.4105 42.2850 173.4838 59 I 4.7965 7.9750 121.7114 59.5888 41.6954 174.2552 60 W 4.9012 8.6681 129.2694 56.1549 31.8837 174.6233 61 R 3.6229 8.8394 117.8104 58.4216 28.8612 176.6168 62 E 4.3960 8.6271 119.4443 57.9697 29.7300 177.7292 63 A 4.1198 7.9319 122.6099 54.3748 18.1412 179.3491 64 A 4.2401 7.8999 118.9221 53.8496 19.2159 179.3318 65 E 3.9663 7.7865 116.1976 59.3919 29.6235 179.2497 66 N 4.3093 8.0001 116.9928 56.0582 38.5744 177.2278 67 V 3.5902 7.6020 118.4455 64.7333 31.2255 176.9781 68 A 4.4157 7.1433 118.3262 54.4011 20.1892 178.1930 69 E 4.0578 8.2612 115.6296 57.9511 29.7599 177.2251 70 S 4.5181 8.1091 113.4132 60.2325 64.5109 174.7274 71 L 4.4147 6.8918 118.8000 54.3253 42.6701 175.9400 72 T 4.5258 8.0056 108.8917 60.2041 71.4234 172.5970 73 R 3.8196 8.3111 121.6950 57.7649 30.3133 176.7309 74 G 3.9435 9.1920 113.8959 45.1294 0.0000 173.5463 75 A 4.0693 7.8519 122.9212 52.1612 19.4014 176.8003 76 R 4.6828 8.5427 123.3328 55.6491 31.6397 175.6265 77 V 4.8374 9.4183 119.0444 59.8941 36.9499 174.0052 78 I 4.8378 8.5149 123.4518 59.6767 39.5664 174.8410 79 V 4.7534 9.0342 127.6641 61.0861 34.2561 173.9124 80 S 5.0215 9.3692 123.7667 56.8594 64.1416 171.9950 81 G 4.5598 9.1178 117.5977 45.9137 0.0000 170.8817 82 R 5.0801 8.2105 119.4813 54.5044 35.0278 175.0000 83 L 4.7502 8.3669 123.6429 54.2044 42.1116 176.4525 84 K 4.6751 8.7302 123.7527 54.8989 35.3659 175.2012 85 Q 4.8151 8.1208 120.7838 54.1632 32.3121 174.4224 86 R 5.2963 7.7937 133.0229 57.1377 32.4008 174.7484 *97 T 4.2845 7.5540 108.2661 60.7386 70.7516 174.9661 98 V 4.3372 7.3663 115.8176 60.1804 34.5427 174.5336 99 I 4.9900 8.1078 121.3431 59.8307 40.0471 175.3715 100 E 4.8422 8.8269 124.5032 54.6059 34.3406 174.5181 101 V 4.4381 8.2188 123.0502 62.0966 32.8753 175.1522 102 E 4.5903 9.3439 131.2029 53.9168 28.4672 173.2238 103 V 3.7900 7.8844 120.3151 63.2412 31.7917 174.7547 104 D 4.8826 9.8326 127.8647 55.4866 43.1979 176.4676 105 E 5.0773 7.9653 115.9454 54.6722 34.0451 174.6372 106 I 5.0907 8.2639 121.9489 59.8995 41.5963 174.0432 107 G 4.1892 8.4723 112.3801 44.7534 0.0000 170.5872 108 P 5.0245 0.0000 0.0000 61.2909 31.9813 176.2406 109 S 4.0598 8.3065 121.1033 58.1970 62.7429 173.7368 110 L 4.7291 8.2693 125.8526 54.1551 41.6566 177.7264 111 R 3.8503 7.5542 122.3633 59.0619 29.8872 176.9217 112 Y 4.9851 7.1957 113.3680 57.1735 38.9027 174.2265 113 A 4.3921 7.4980 120.8811 52.2119 21.8318 175.4568 114 T 4.5832 7.8027 108.8122 59.9872 71.8381 173.0408 115 A 4.2376 7.9683 121.6792 52.2620 21.4618 176.9125 116 K 4.5018 8.6397 124.0761 53.8273 33.7481 174.9643 117 V 4.2977 7.6470 121.5335 60.8265 32.2745 174.8730 118 N 3.7572 9.0483 118.2904 54.2971 37.5924 174.8752 119 K 4.2471 8.1823 115.6048 54.4757 34.4360 174.2691 120 A 4.7776 8.6000 127.6644 52.4937 25.1661 177.0933 121 S 4.5432 8.4107 113.6077 56.7575 66.1034 176.3343 *122 R 4.1997 9.7808 122.0558 54.5816 30.0817 171.3110 123 S 4.7461 8.8859 120.1043 56.9745 62.5152 169.5968 124 G 3.8232 8.6079 114.4882 45.5798 0.0000 171.6805 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 G 8.35 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.47 3.37 0.00 2.81 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 5 T 8.21 3.45 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 1.24 0.00 0.00 6 T 7.61 4.43 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 7 I 8.41 4.64 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 1.10 0.91 0.00 0.00 8 T 8.53 5.12 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 9 I 9.07 4.57 1.87 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 1.37 0.93 0.00 0.00 10 V 8.06 4.82 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 0.84 0.00 0.00 0.92 0.00 0.00 11 G 8.41 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 12 N 8.14 5.41 0.00 2.66 2.88 0.00 0.00 7.48 6.84 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 13 L 8.52 4.33 0.00 1.60 1.61 0.65 0.66 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 14 T 8.72 4.11 4.37 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 1.51 0.00 0.00 15 A 8.06 4.39 1.24 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 0.00 0.00 16 D 8.71 4.31 0.00 2.66 2.65 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 17 P 0.00 4.67 0.00 1.88 1.97 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 18 E 9.29 4.51 0.00 1.84 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 0.00 2.23 2.25 0.00 19 L 8.53 4.63 0.00 1.60 1.51 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.35 4.72 0.00 1.81 1.67 0.00 3.06 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 21 F 9.10 5.68 0.00 2.86 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 22 T 8.41 4.58 4.32 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 0.00 0.00 0.00 1.28 0.00 0.00 23 P 0.00 4.26 0.00 2.13 2.08 0.00 3.88 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 24 S 8.66 5.83 0.00 3.93 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 25 G 7.94 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 26 A 7.99 4.83 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 27 A 8.59 4.22 0.89 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 28 V 8.71 3.61 1.75 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 -0.05 0.00 0.00 0.82 0.00 0.00 29 A 8.88 4.49 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 30 N 8.90 5.14 0.00 2.71 2.63 0.00 0.00 6.26 8.16 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 31 F 7.37 4.90 0.00 2.96 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 32 T 8.13 4.91 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 1.27 0.00 0.00 33 V 8.80 4.49 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 0.87 0.00 0.00 1.11 0.00 0.00 34 A 9.21 4.65 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 35 S 9.01 4.71 0.00 3.78 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 36 T 8.44 4.78 4.19 0.00 0.00 0.00 0.00 0.00 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 37 P 0.00 4.80 0.00 2.03 1.92 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.57 0.00 38 R 8.44 4.88 0.00 1.76 1.66 0.00 3.17 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 39 I 8.05 4.79 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 1.27 1.23 0.91 0.00 0.00 *40 Y 7.99 4.49 0.00 2.27 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 0.00 0.00 0.00 0.00 41 D 7.97 4.65 0.00 2.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 3.71 0.00 2.04 2.09 0.00 3.03 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 *49 D 7.37 4.47 0.00 2.75 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 G 8.45 3.83 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 0.00 0.00 0.00 51 E 9.00 3.94 0.00 2.07 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 2.20 1.86 0.00 52 A 8.27 5.10 0.96 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 53 L 8.80 4.62 0.00 1.63 1.60 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.09 4.89 0.00 2.93 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 55 L 9.46 4.72 0.00 1.43 1.55 0.91 0.66 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 56 R 8.63 4.10 0.00 1.77 2.07 0.00 3.10 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 57 C 8.86 4.99 0.00 1.50 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 0.00 0.00 0.00 0.00 58 N 8.71 4.75 0.00 2.34 2.01 0.00 0.00 6.59 7.38 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 59 I 7.98 4.80 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.43 1.16 0.00 0.00 60 W 8.67 4.90 0.00 3.54 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 61 R 8.84 3.62 0.00 2.09 1.94 0.00 3.32 0.00 0.00 3.46 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 62 E 8.63 4.40 0.00 2.23 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 0.00 2.39 2.40 0.00 63 A 7.93 4.12 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 64 A 7.90 4.24 1.39 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 65 E 7.79 3.97 0.00 2.25 2.26 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 2.52 2.36 0.00 66 N 8.00 4.31 0.00 2.74 2.88 0.00 0.00 6.78 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 67 V 7.60 3.59 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 0.71 0.00 0.00 1.01 0.00 0.00 68 A 7.14 4.42 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 69 E 8.26 4.06 0.00 2.03 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 2.31 2.34 0.00 70 S 8.11 4.52 0.00 3.89 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 71 L 6.89 4.41 0.00 1.56 1.42 0.61 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.01 4.53 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 1.18 0.00 0.00 73 R 8.31 3.82 0.00 2.00 1.95 0.00 3.30 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 74 G 9.19 3.94 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 0.00 0.00 0.00 75 A 7.85 4.07 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 76 R 8.54 4.68 0.00 2.06 1.84 0.00 3.30 0.00 0.00 3.27 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 77 V 9.42 4.84 2.13 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 0.71 0.00 0.00 1.00 0.00 0.00 78 I 8.51 4.84 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.40 0.91 0.00 0.00 79 V 9.03 4.75 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 1.01 0.00 0.00 1.08 0.00 0.00 80 S 9.37 5.02 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 81 G 9.12 4.56 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 0.00 82 R 8.21 5.08 0.00 1.85 1.77 0.00 3.13 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 83 L 8.37 4.75 0.00 1.48 1.64 0.92 1.16 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 84 K 8.73 4.68 0.00 1.74 1.73 0.00 2.02 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.38 7.81 85 Q 8.12 4.82 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.65 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 86 R 7.79 5.30 0.00 1.98 1.84 0.00 3.18 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 1.39 1.32 0.00 *97 T 7.55 4.28 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 98 V 7.37 4.34 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 0.84 0.00 0.00 1.00 0.00 0.00 99 I 8.11 4.99 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 1.35 0.61 0.95 0.00 0.00 100 E 8.83 4.84 0.00 1.87 1.82 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 2.18 2.21 0.00 101 V 8.22 4.44 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 0.99 0.00 0.00 0.90 0.00 0.00 102 E 9.34 4.59 0.00 2.12 1.90 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 2.53 2.58 0.00 103 V 7.88 3.79 2.23 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 1.00 0.00 0.00 0.98 0.00 0.00 104 D 9.83 4.88 0.00 2.79 2.70 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 0.00 0.00 0.00 0.00 105 E 7.97 5.08 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 106 I 8.26 5.09 1.96 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 1.18 0.61 0.92 0.00 0.00 107 G 8.47 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.02 0.00 1.93 1.99 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 109 S 8.31 4.06 0.00 3.79 3.74 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 0.00 110 L 8.27 4.73 0.00 1.63 1.71 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.55 3.85 0.00 1.40 1.46 0.00 2.72 0.00 0.00 2.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 112 Y 7.20 4.99 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.50 4.39 1.24 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 0.00 0.00 114 T 7.80 4.58 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 0.00 115 A 7.97 4.24 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 0.00 116 K 8.64 4.50 0.00 1.79 1.60 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 0.99 7.81 117 V 7.65 4.30 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 1.01 0.00 0.00 0.92 0.00 0.00 118 N 9.05 3.76 0.00 2.94 2.83 0.00 0.00 5.55 7.13 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 0.00 119 K 8.18 4.25 0.00 1.74 1.59 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 0.96 7.81 120 A 8.60 4.78 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 0.00 121 S 8.41 4.54 0.00 3.57 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 *122 R 9.78 4.20 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 0.00 123 S 8.89 4.75 0.00 3.69 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 0.00 124 G 8.61 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 * Residues marked with a * may have inaccurate shift predictions.