NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3170 8.4449 116.7514 56.3287 32.1987 176.4276 3 F 4.6846 7.8901 117.2854 55.7353 39.3573 175.4233 4 K 3.9424 8.3522 130.3533 59.7324 33.0109 179.2760 5 K 4.1223 8.0583 120.5402 59.4404 32.2493 178.8833 6 V 3.5939 7.8975 117.7573 65.8740 31.4274 177.5750 7 A 4.0771 8.2631 123.0925 55.7749 18.2184 180.4372 8 K 4.0318 8.1922 122.1967 59.9847 31.7972 181.2058 9 E 4.2716 8.1562 119.0041 59.2236 29.3510 179.6792 10 T 3.8180 7.8861 115.8275 66.5068 68.5507 176.3096 11 A 3.9955 8.2624 123.1571 55.6757 18.3280 179.7753 12 I 3.6792 7.7492 117.8449 64.7053 37.0567 178.8167 13 T 3.8293 7.9902 116.5182 66.6413 68.3593 176.2660 14 L 4.0096 8.3856 122.5331 58.2971 42.1416 178.7445 15 Q 3.9938 8.4867 119.7688 59.3097 28.8630 178.3394 16 S 4.1012 8.1301 114.1619 61.5890 62.4659 175.5202 17 Y 4.1279 8.3220 122.4997 60.6411 38.4432 177.8186 18 L 3.9977 8.3007 120.0989 57.6640 41.6213 179.4255 19 T 3.7934 7.7687 115.4605 66.7346 68.4152 175.6069 20 Y 4.0000 7.9036 121.3040 60.9439 38.7199 178.2415 21 Q 3.2970 7.7604 119.8831 58.6620 29.1065 177.7843 22 A 3.8773 8.0385 122.1338 55.3878 18.4741 179.8022 23 V 3.5505 7.8407 116.7148 65.9268 31.4518 178.2919 24 R 3.6836 7.6591 118.5077 59.1423 29.9675 177.8845 25 L 3.8601 7.6354 120.1638 58.6235 42.0280 179.1877 26 I 3.7532 7.8106 119.2768 64.4103 36.9498 178.6157 27 S 4.2381 8.1411 116.1422 61.6503 62.3873 176.8355 28 Q 3.9890 7.6204 119.4752 58.8647 28.6817 178.2392 29 Q 4.1456 8.0867 119.0099 59.1637 28.7965 179.0705 30 L 4.0695 8.4849 120.3267 57.6040 41.3317 179.7244 31 S 4.2841 7.9772 116.3086 61.6631 62.9745 176.1765 32 E 4.4047 7.7875 119.0176 58.5936 29.8011 179.4571 33 T 4.6571 7.4927 111.9196 65.7284 71.5164 174.2428 34 N 4.9604 8.2846 120.8428 49.7307 39.0425 172.3242 35 P 4.4035 0.0000 0.0000 65.4820 31.6086 178.7205 36 G 3.6452 8.0709 104.9102 47.7540 0.0000 175.3212 37 Q 4.1083 8.1273 121.9112 58.6313 28.8846 178.0274 38 A 4.0946 8.1361 122.1636 55.0593 18.3636 179.6777 39 I 3.6635 7.8560 118.2215 64.3588 37.2783 178.0942 40 W 4.2749 8.1771 129.1829 60.9002 30.5036 177.7537 41 L 4.0802 8.3726 119.9936 57.8255 41.2620 179.1427 42 G 3.6219 7.6320 105.1539 47.2424 0.0000 174.8933 43 E 3.9983 8.3967 122.3524 59.3011 29.1190 178.7842 44 F 3.5652 8.0922 120.7434 60.8768 39.0050 176.2591 45 S 4.8318 7.5192 110.4251 58.4742 63.1659 174.4482 46 K 4.4974 7.6561 120.1422 56.9653 33.7896 177.3145 47 R 4.0215 7.6625 117.5452 58.0900 30.4284 176.1387 48 H 4.7602 7.3408 113.4854 53.2409 32.4946 171.2496 49 P 4.4898 0.0000 0.0000 62.0757 31.6976 177.3544 50 I 3.3304 8.3815 123.6975 63.4003 38.1615 176.9139 51 Q 4.1919 7.9589 117.4667 57.4277 28.8820 176.2451 52 E 4.5708 7.7077 118.9355 54.6069 29.1004 176.3966 53 S 4.2682 8.2325 119.2085 61.1281 63.5676 176.1404 54 D 4.4298 8.0776 122.0610 57.1811 40.5746 178.4701 55 L 4.0767 8.0006 119.0894 57.8200 41.4060 178.8763 56 Y 4.1738 7.8247 118.3513 60.8798 38.9247 177.6344 57 L 4.2902 8.1216 118.6752 57.8937 41.7978 179.0917 58 E 4.2979 8.5877 117.9176 58.1818 30.1224 178.0479 59 A 4.3067 7.7521 121.7190 51.0618 16.9313 177.1709 *62 L 4.2993 7.9446 122.0888 54.0845 44.0770 178.0121 63 E 4.4393 7.4578 113.1804 57.3470 30.7397 175.8894 64 N 4.5737 7.3754 115.6934 51.3679 40.0083 174.3539 65 K 3.9603 8.3593 124.6961 58.8493 32.3547 177.9979 66 E 3.8791 8.1802 119.1419 59.5338 29.4174 178.8961 67 L 4.0244 8.0411 118.6774 57.4891 41.6006 179.6211 68 V 3.5833 7.4659 117.7819 66.0161 31.4964 178.0893 69 L 3.9689 7.8464 118.6949 57.6595 41.3581 179.3598 70 R 3.8489 7.9760 118.6013 59.5949 30.0185 178.4147 71 I 3.6990 7.9147 119.5353 64.5619 37.0045 178.3589 72 L 4.0367 8.0990 119.6238 58.0549 41.2913 179.8423 73 T 3.8943 7.8912 115.5770 66.7994 68.5281 177.1234 74 V 3.6480 8.1464 120.7650 65.7785 31.5366 178.2434 75 R 3.9585 8.5245 116.5716 59.1234 29.3071 178.4867 76 E 4.0024 8.0175 120.1237 58.8304 29.3479 178.5734 77 N 4.3552 7.6654 116.1328 56.0023 39.0656 176.7802 78 L 4.1326 7.8330 120.1549 57.9348 41.7966 179.5646 79 A 3.9990 8.0597 120.2159 55.3198 18.2081 179.4007 80 E 4.0784 8.0714 116.1282 58.8481 29.7082 178.6658 81 G 3.8550 7.7700 104.6179 46.4361 0.0000 174.9709 82 V 4.4599 7.4657 118.6879 64.0119 33.3390 177.2581 83 L 4.0905 8.1002 121.1217 58.6888 41.3212 179.7458 84 E 3.8258 8.0584 115.9992 61.3818 28.2043 180.5240 85 F 4.7754 7.6555 116.8565 59.2971 38.9100 178.0226 86 L 4.3476 7.8219 118.7632 57.0661 41.6073 177.1852 87 P 4.5391 0.0000 0.0000 66.1313 31.2673 180.5116 88 E 4.3037 7.4659 110.8038 56.3791 29.2285 180.7506 *90 V 4.0782 7.8848 121.9867 63.7243 33.5547 177.3434 91 L 4.0453 7.7919 121.0058 57.9070 41.8558 179.0295 92 S 4.1974 7.9911 114.1748 61.3498 63.0558 176.4444 93 Q 4.0063 8.0353 121.1812 58.8927 28.4150 178.7204 94 I 3.7740 7.7817 120.8036 64.0418 37.0620 178.6495 95 K 3.9804 8.0120 119.4313 59.2594 31.7865 179.1690 96 Q 3.8764 8.1100 119.7967 59.2650 29.0628 177.9316 97 S 3.9428 8.1301 114.2247 61.5547 62.3392 175.8529 98 N 4.3488 8.5232 119.3369 56.3345 38.2725 177.1729 99 G 3.7734 8.1847 107.1160 48.1555 0.0000 175.0440 100 N 4.3008 8.2492 119.4933 56.3189 38.6509 177.3212 101 H 4.3010 8.0282 117.3081 58.9761 28.7849 178.1338 102 R 3.9584 8.5844 120.2891 59.1091 29.8333 179.1986 103 R 3.8310 8.1388 118.6646 59.5935 29.9697 178.5790 104 S 4.1240 8.1585 111.9091 61.1709 62.1188 175.4936 105 L 4.1439 8.0200 123.1934 57.9215 41.7651 178.8660 106 L 4.0812 7.9614 119.0523 57.7108 41.3365 179.1576 107 E 4.0756 8.0428 119.8788 59.5883 29.4724 179.3038 108 R 4.3938 7.3619 116.7280 58.4183 29.9347 179.5887 109 L 4.3871 7.6215 123.0396 56.0206 41.6821 176.7131 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 2 E 8.44 4.32 0.00 2.01 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 2.13 1.91 0.00 3 F 7.89 4.68 0.00 3.23 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 4 K 8.35 3.94 0.00 1.76 1.83 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.08 7.81 5 K 8.06 4.12 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 6 V 7.90 3.59 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 0.89 0.00 0.00 0.88 0.00 0.00 7 A 8.26 4.08 1.45 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 0.00 0.00 8 K 8.19 4.03 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 E 8.16 4.27 0.00 2.02 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 2.33 2.58 0.00 10 T 7.89 3.82 4.36 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 1.19 0.00 0.00 11 A 8.26 4.00 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 12 I 7.75 3.68 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.61 0.92 0.00 0.00 13 T 7.99 3.83 4.43 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 1.17 0.00 0.00 14 L 8.39 4.01 0.00 1.91 1.71 0.92 0.77 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 15 Q 8.49 3.99 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 16 S 8.13 4.10 0.00 3.97 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 17 Y 8.32 4.13 0.00 3.21 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 18 L 8.30 4.00 0.00 1.77 1.70 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.77 3.79 4.36 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 1.16 0.00 0.00 20 Y 7.90 4.00 0.00 2.90 2.91 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 21 Q 7.76 3.30 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 22 A 8.04 3.88 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 23 V 7.84 3.55 2.17 0.00 0.00 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 1.02 0.00 0.00 24 R 7.66 3.68 0.00 1.50 1.76 0.00 2.74 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 25 L 7.64 3.86 0.00 1.87 1.81 0.89 1.05 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 26 I 7.81 3.75 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 1.51 0.41 0.92 0.00 0.00 27 S 8.14 4.24 0.00 4.13 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 28 Q 7.62 3.99 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 29 Q 8.09 4.15 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 30 L 8.48 4.07 0.00 1.83 1.90 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.98 4.28 0.00 4.05 4.15 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 32 E 7.79 4.40 0.00 2.04 1.88 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 2.23 2.21 0.00 33 T 7.49 4.66 4.46 0.00 0.00 0.00 0.00 0.00 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 34 N 8.28 4.96 0.00 2.62 2.63 0.00 0.00 7.04 7.27 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 35 P 0.00 4.40 0.00 2.32 2.32 0.00 3.76 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 2.09 2.05 0.00 36 G 8.07 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 37 Q 8.13 4.11 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 38 A 8.14 4.09 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 0.00 0.00 0.00 0.00 0.00 39 I 7.86 3.66 2.07 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 1.44 0.51 0.98 0.00 0.00 40 W 8.18 4.27 0.00 3.48 3.48 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 41 L 8.37 4.08 0.00 2.21 1.95 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.63 3.62 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 0.00 0.00 0.00 0.00 43 E 8.40 4.00 0.00 2.15 1.84 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 2.30 2.32 0.00 44 F 8.09 3.57 0.00 1.52 2.45 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 45 S 7.52 4.83 0.00 4.54 4.40 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 4.50 0.00 1.84 1.89 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.30 7.81 47 R 7.66 4.02 0.00 1.54 1.79 0.00 3.07 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 48 H 7.34 4.76 0.00 2.81 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.49 0.00 2.20 2.12 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 50 I 8.38 3.33 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.36 0.83 0.00 0.00 51 Q 7.96 4.19 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 52 E 7.71 4.57 0.00 2.07 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 2.25 2.27 0.00 53 S 8.23 4.27 0.00 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.43 0.00 2.76 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 55 L 8.00 4.08 0.00 1.91 1.82 0.97 0.82 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 56 Y 7.82 4.17 0.00 3.22 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 57 L 8.12 4.29 0.00 1.80 1.81 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.59 4.30 0.00 2.24 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 2.39 2.37 0.00 59 A 7.75 4.31 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.30 0.00 1.92 1.84 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.46 4.44 0.00 2.18 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 2.38 2.38 0.00 64 N 7.38 4.57 0.00 2.11 2.34 0.00 0.00 7.25 6.46 0.00 0.00 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 K 8.36 3.96 0.00 1.79 1.81 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.46 7.81 66 E 8.18 3.88 0.00 1.96 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 2.35 2.37 0.00 67 L 8.04 4.02 0.00 1.97 1.69 1.03 0.82 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 68 V 7.47 3.58 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 1.05 0.00 0.00 0.91 0.00 0.00 69 L 7.85 3.97 0.00 1.87 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.98 3.85 0.00 1.93 2.10 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 71 I 7.91 3.70 2.04 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 1.57 0.54 0.95 0.00 0.00 72 L 8.10 4.04 0.00 1.80 1.73 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.89 3.89 4.47 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 1.21 0.00 0.00 74 V 8.15 3.65 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 1.03 0.00 0.00 0.96 0.00 0.00 75 R 8.52 3.96 0.00 2.02 2.36 0.00 3.01 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 76 E 8.02 4.00 0.00 2.15 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 2.31 2.35 0.00 77 N 7.67 4.36 0.00 2.81 2.86 0.00 0.00 7.02 8.58 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 78 L 7.83 4.13 0.00 2.05 1.75 0.91 1.02 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 79 A 8.06 4.00 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 80 E 8.07 4.08 0.00 2.20 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 2.32 2.32 0.00 81 G 7.77 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 0.00 0.00 0.00 82 V 7.47 4.46 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 1.20 0.00 0.00 1.01 0.00 0.00 83 L 8.10 4.09 0.00 1.80 1.71 0.94 0.79 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 84 E 8.06 3.83 0.00 2.06 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 2.24 2.00 0.00 85 F 7.66 4.78 0.00 3.33 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 86 L 7.82 4.35 0.00 1.79 1.77 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.54 0.00 2.16 2.11 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 88 E 7.47 4.30 0.00 1.97 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 2.24 2.12 0.00 *90 V 7.88 4.08 2.19 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 0.88 0.00 0.00 0.97 0.00 0.00 91 L 7.79 4.05 0.00 1.85 1.75 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.99 4.20 0.00 4.07 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 0.00 93 Q 8.04 4.01 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 94 I 7.78 3.77 2.03 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 1.50 0.82 0.89 0.00 0.00 95 K 8.01 3.98 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 96 Q 8.11 3.88 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 97 S 8.13 3.94 0.00 3.96 3.81 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 98 N 8.52 4.35 0.00 3.02 2.85 0.00 0.00 6.92 7.17 0.00 0.00 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 G 8.18 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 0.00 100 N 8.25 4.30 0.00 2.75 2.85 0.00 0.00 7.14 8.66 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 0.00 101 H 8.03 4.30 0.00 3.18 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.58 3.96 0.00 2.07 1.98 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 103 R 8.14 3.83 0.00 2.13 2.00 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 104 S 8.16 4.12 0.00 3.90 3.97 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 0.00 105 L 8.02 4.14 0.00 2.02 1.76 0.92 0.60 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 0.00 106 L 7.96 4.08 0.00 1.76 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.04 4.08 0.00 2.07 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 2.35 2.38 0.00 108 R 7.36 4.39 0.00 1.95 1.82 0.00 3.26 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 109 L 7.62 4.39 0.00 1.71 1.60 0.92 1.22 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 * Residues marked with a * may have inaccurate shift predictions.