NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3855 0.0000 0.0000 62.5318 32.4101 175.1116 8 V 3.7929 8.1731 121.4973 61.5138 32.6819 174.5140 9 K 4.2642 8.1492 122.4868 55.6468 34.1519 177.3600 10 P 4.4543 0.0000 0.0000 64.6701 32.7606 174.7781 11 Y 4.9791 7.4027 117.3004 55.8671 40.1416 174.5193 12 D 4.7514 8.3867 123.4481 52.6215 45.0424 173.5754 13 L 5.4063 8.8442 125.0097 53.3616 44.9911 175.7345 14 T 4.6762 9.1409 120.6764 61.9218 70.8756 173.6649 15 V 5.0666 8.5176 125.6530 61.0888 33.9591 174.6594 16 S 4.7966 9.0194 121.9332 56.4749 66.1259 173.0542 17 V 4.7272 8.1529 121.6973 61.3692 34.4227 174.9869 18 T 4.4483 8.4271 123.5982 61.0054 70.4992 171.9904 19 P 5.0006 0.0000 0.0000 62.3209 33.1096 175.9406 20 R 4.4669 8.3178 115.3433 55.9467 34.0321 173.0876 21 Y 3.8404 9.1390 128.5261 57.7116 39.8009 175.7542 22 V 4.0132 6.7632 125.3050 59.8584 31.7932 173.2292 23 P 4.1092 0.0000 0.0000 65.2897 31.4430 179.0099 24 E 4.0890 7.9359 111.9788 56.9633 28.9936 176.5233 25 Q 4.6568 7.8862 118.9567 55.8499 30.4763 174.0828 26 S 4.5510 7.7744 109.7033 56.8946 66.2612 173.3650 27 D 4.4720 8.9468 120.0970 51.9662 43.0688 174.0123 28 P 3.4150 0.0000 0.0000 65.4912 31.8336 179.0165 29 S 4.0288 8.2238 112.9357 61.9179 62.6073 175.2851 30 Q 4.1682 8.4853 117.4889 55.8285 29.0377 175.3121 31 Q 3.4535 8.3552 114.9708 57.8237 26.5999 173.0558 32 Q 4.3867 7.8191 119.4029 54.6426 29.5500 173.2235 33 Y 4.9194 9.1858 122.2402 56.2877 40.3860 174.6585 34 V 4.7522 8.2966 123.9371 61.1148 34.3371 173.8948 35 F 5.3335 9.2793 126.3765 55.7278 41.7095 174.7744 36 A 5.2443 9.0953 125.3676 51.2207 21.6592 175.4808 37 Y 5.0689 8.4528 116.1672 56.4126 41.8442 173.8117 38 T 4.8132 8.4751 119.6083 61.8541 71.6005 173.5900 39 V 4.8393 8.4477 124.3012 61.0939 35.1376 174.5366 40 R 4.8342 9.1232 126.1228 54.6660 33.0709 174.4544 41 I 5.0664 8.7203 125.9906 59.9441 39.4767 175.1360 42 T 5.0585 8.9148 123.9575 61.5424 71.9016 173.1310 43 N 5.0306 9.5099 125.7739 53.7396 39.1687 174.8494 44 T 4.4421 8.7253 116.3964 61.7026 69.8299 175.0686 45 G 4.1073 7.8920 110.3030 45.6774 0.0000 173.6719 46 S 4.6922 8.9019 113.0819 59.1235 64.2489 173.6965 47 H 5.2299 7.9977 116.8298 52.9468 32.4775 171.8103 48 P 4.9422 0.0000 0.0000 63.3290 32.5337 175.2946 49 A 5.2567 8.8686 122.8939 50.7549 23.4628 174.7890 50 Q 4.9393 8.8958 119.5407 54.3150 32.8862 174.0923 51 V 4.0252 8.5113 126.0120 62.4644 32.3036 175.1891 52 I 4.3881 8.7907 128.7395 62.4869 38.7058 175.6902 53 S 5.0086 7.7437 114.5077 56.6355 67.2780 171.9958 54 R 5.2791 8.9044 116.2632 54.8212 33.1066 174.0253 55 H 5.4072 8.5717 119.3404 54.6161 33.4405 171.9925 56 W 5.3592 9.7448 125.4470 55.0279 32.8650 174.8019 57 I 4.8680 9.2008 124.8543 59.5616 38.9301 174.4026 58 I 4.4024 8.5718 121.6180 59.6191 39.4974 174.8820 59 T 4.8817 8.9270 123.6115 61.7489 70.9910 174.1588 60 D 4.6340 8.9307 125.4136 53.1677 42.2014 177.5533 61 G 3.8715 8.6919 112.4654 48.0909 0.0000 174.3213 62 E 4.4337 8.0746 118.4908 55.8916 29.7354 175.8236 63 E 3.8270 8.3747 117.3525 57.1628 28.7630 173.8443 64 R 4.3697 7.3075 117.2091 54.8413 31.1586 176.3611 65 V 4.5304 8.3355 124.1525 62.4177 33.4439 174.9543 66 Q 4.5940 8.6471 125.1839 54.9703 32.4978 173.2037 67 E 5.4353 8.9345 125.1439 54.7351 33.1296 175.4503 68 V 4.6677 8.8267 120.7729 61.5408 35.3842 174.4126 69 R 5.1753 8.5832 125.3171 54.9218 34.0625 174.3595 70 G 4.1284 8.7696 109.0350 45.8857 0.0000 171.5445 71 L 4.7743 8.5657 119.8605 54.1293 43.1827 178.4153 72 G 3.7471 9.7209 113.1547 44.9370 0.0000 173.1323 73 V 4.0212 8.2985 111.8351 59.8319 33.0947 176.8742 74 V 3.0219 9.2114 126.6482 62.7265 29.9593 173.7763 75 G 3.9011 8.3884 103.3440 47.1180 0.0000 173.5479 76 Q 4.5223 7.7175 117.3570 54.0315 32.7526 174.7912 77 Q 4.5498 8.1519 116.9917 51.5620 29.3395 173.1884 78 P 4.0208 0.0000 0.0000 63.2896 32.8085 176.6444 79 L 4.8386 8.3561 124.5337 53.3926 43.2888 174.7881 80 L 4.4955 8.9897 127.3259 53.4733 42.8095 176.8122 81 A 4.5648 9.2232 126.8499 50.6748 19.8646 174.9866 82 P 4.5582 0.0000 0.0000 63.9192 31.5102 176.8016 83 G 4.0054 9.0999 111.4149 45.0996 0.0000 173.4303 84 E 4.5128 8.2806 119.4970 56.2579 31.1981 175.5732 85 T 5.2106 8.2996 114.8440 60.7243 71.1095 172.4787 86 F 5.1022 9.4596 129.8081 56.2540 42.3029 173.6251 87 E 5.7557 8.0868 122.7705 53.7626 32.5893 174.1168 88 Y 4.9027 7.9582 118.4911 56.0065 42.4140 173.4609 89 T 4.8489 8.4853 115.0858 62.0592 72.1857 173.5993 90 S 4.6585 8.1707 121.0572 56.8088 67.7856 172.6361 91 G 4.5977 8.5477 106.7172 45.0370 0.0000 172.7988 92 C 4.8718 9.3522 121.0373 57.2383 34.4024 171.4662 93 P 5.1931 0.0000 0.0000 63.0077 32.3662 175.7909 94 L 4.7821 9.2447 121.0813 53.2275 45.8530 175.6001 95 P 5.1734 0.0000 0.0000 64.0580 31.8345 176.5100 96 T 4.6771 7.7852 107.4542 58.9347 71.4932 172.7379 97 P 3.6172 0.0000 0.0000 62.9203 31.6609 175.6541 98 I 5.2393 6.0768 110.9802 59.3998 40.5460 173.9967 99 G 3.8763 7.4273 108.2658 46.6081 0.0000 171.1818 100 T 5.2320 7.5525 110.0486 58.8361 72.1765 173.0954 *102 R 4.4503 8.5108 115.8752 57.4102 31.3358 175.4421 103 G 3.5817 8.1795 105.8163 46.6067 0.0000 171.8960 104 T 4.9364 7.8934 115.6023 62.2212 73.7824 172.6625 105 Y 5.2670 8.4540 121.5469 56.6170 41.3635 174.3587 106 H 4.9103 9.4167 121.9155 54.9271 30.6161 174.2690 107 C 5.1966 8.5872 120.1788 57.8126 32.8655 173.2097 108 V 4.7108 8.0614 111.9222 59.7279 35.7144 176.1937 109 G 3.5177 8.8353 112.4311 45.1577 0.0000 174.2355 110 E 4.3599 8.7780 118.7238 58.9392 29.7020 177.9962 111 N 4.5560 7.7645 115.3472 52.9268 37.4925 176.0168 112 G 3.9934 8.5798 108.9457 45.6542 0.0000 174.3578 113 I 3.8494 7.5674 114.8366 60.0068 38.1149 173.5804 114 P 5.0498 0.0000 0.0000 62.5780 32.4693 175.0953 115 F 5.1069 8.9602 116.0899 55.7671 42.0098 172.5885 116 E 5.1288 9.0365 118.5664 54.4539 32.2475 176.1028 117 V 4.5648 8.3416 123.5648 59.2581 33.4886 173.4897 118 P 4.8032 0.0000 0.0000 62.4443 33.0334 175.9440 119 I 4.3937 8.5614 122.1378 59.2007 38.9436 175.1421 120 A 4.3163 8.7112 129.3554 51.6415 19.1063 176.6051 121 E 3.8499 8.9613 122.4915 56.6728 30.2065 175.9385 122 F 5.2378 8.2651 120.3203 54.8993 41.8386 173.5685 123 L 5.0264 8.5626 118.7182 53.9269 43.4278 175.4011 124 L 4.7531 8.5663 119.4564 51.9430 44.6145 174.1953 125 A 5.0479 8.7861 129.0063 52.6309 24.6553 176.3693 *127 P 4.4615 0.0000 0.0000 65.0904 32.9636 176.6085 128 R 4.0604 7.9303 121.0354 56.4086 29.9074 176.1727 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 7 P 0.00 4.39 0.00 2.03 2.01 0.00 3.62 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 1.91 2.06 0.00 8 V 8.17 3.79 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 0.66 0.00 0.00 0.90 0.00 0.00 9 K 8.15 4.26 0.00 1.67 1.66 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.40 7.81 10 P 0.00 4.45 0.00 1.10 1.90 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 11 Y 7.40 4.98 0.00 2.27 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 0.00 0.00 0.00 12 D 8.39 4.75 0.00 2.70 2.52 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 13 L 8.84 5.41 0.00 1.72 1.67 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.14 4.68 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 1.25 0.00 0.00 15 V 8.52 5.07 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 1.03 0.00 0.00 1.17 0.00 0.00 16 S 9.02 4.80 0.00 3.87 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 17 V 8.15 4.73 0.78 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 0.54 0.00 0.00 0.74 0.00 0.00 18 T 8.43 4.45 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 1.22 0.00 0.00 19 P 0.00 5.00 0.00 2.09 2.19 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 20 R 8.32 4.47 0.00 1.91 1.83 0.00 3.11 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 21 Y 9.14 3.84 0.00 2.75 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 22 V 6.76 4.01 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 0.75 0.00 0.00 0.84 0.00 0.00 23 P 0.00 4.11 0.00 2.30 2.58 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 24 E 7.94 4.09 0.00 2.05 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 2.19 2.19 0.00 25 Q 7.89 4.66 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 26 S 7.77 4.55 0.00 4.08 3.67 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 27 D 8.95 4.47 0.00 2.68 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 28 P 0.00 3.41 0.00 2.23 2.26 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 29 S 8.22 4.03 0.00 4.06 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 30 Q 8.49 4.17 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 31 Q 8.36 3.45 0.00 2.29 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 32 Q 7.82 4.39 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.70 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 33 Y 9.19 4.92 0.00 3.30 3.25 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 34 V 8.30 4.75 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 0.96 0.00 0.00 1.00 0.00 0.00 35 F 9.28 5.33 0.00 3.13 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 36 A 9.10 5.24 1.22 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 0.00 0.00 0.00 37 Y 8.45 5.07 0.00 3.02 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 38 T 8.48 4.81 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 1.15 0.00 0.00 39 V 8.45 4.84 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 1.25 0.00 0.00 0.90 0.00 0.00 40 R 9.12 4.83 0.00 1.73 1.82 0.00 3.11 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 41 I 8.72 5.07 2.05 0.00 0.00 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 1.51 1.07 1.02 0.00 0.00 42 T 8.91 5.06 4.29 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 1.25 0.00 0.00 43 N 9.51 5.03 0.00 2.84 2.99 0.00 0.00 6.64 7.20 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 44 T 8.73 4.44 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 1.30 0.00 0.00 45 G 7.89 4.11 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 0.00 0.00 0.00 46 S 8.90 4.69 0.00 3.86 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 47 H 8.00 5.23 0.00 2.74 3.32 0.00 5.86 0.00 0.00 0.00 0.00 6.89 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 4.94 0.00 2.17 2.03 0.00 3.97 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 2.16 2.14 0.00 49 A 8.87 5.26 1.51 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 0.00 0.00 50 Q 8.90 4.94 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.13 2.41 0.00 51 V 8.51 4.03 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 0.39 0.00 0.00 0.75 0.00 0.00 52 I 8.79 4.39 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 0.92 0.00 0.00 53 S 7.74 5.01 0.00 4.05 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 54 R 8.90 5.28 0.00 1.80 2.28 0.00 3.18 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 55 H 8.57 5.41 0.00 3.13 2.98 0.00 5.54 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 9.74 5.36 0.00 3.26 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 57 I 9.20 4.87 1.95 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 1.26 0.45 0.89 0.00 0.00 58 I 8.57 4.40 1.68 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.75 0.00 0.00 59 T 8.93 4.88 4.14 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 1.22 0.00 0.00 60 D 8.93 4.63 0.00 2.83 2.56 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 61 G 8.69 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 62 E 8.07 4.43 0.00 2.00 1.94 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 2.32 2.22 0.00 63 E 8.37 3.83 0.00 1.99 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 2.20 2.29 0.00 64 R 7.31 4.37 0.00 2.12 1.84 0.00 3.56 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 65 V 8.34 4.53 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 0.75 0.00 0.00 0.92 0.00 0.00 66 Q 8.65 4.59 0.00 2.21 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 67 E 8.93 5.44 0.00 1.92 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 2.26 2.31 0.00 68 V 8.83 4.67 2.36 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 1.07 0.00 0.00 1.04 0.00 0.00 69 R 8.58 5.18 0.00 1.70 1.78 0.00 3.42 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 70 G 8.77 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 0.00 0.00 0.00 71 L 8.57 4.77 0.00 1.52 1.56 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 72 G 9.72 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 0.00 0.00 0.00 73 V 8.30 4.02 1.08 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 0.59 0.00 0.00 0.78 0.00 0.00 74 V 9.21 3.02 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 0.71 0.00 0.00 0.97 0.00 0.00 75 G 8.39 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 76 Q 7.72 4.52 0.00 1.61 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 77 Q 8.15 4.55 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 78 P 0.00 4.02 0.00 1.92 1.47 0.00 3.24 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.27 0.00 79 L 8.36 4.84 0.00 1.60 1.60 0.93 1.09 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 80 L 8.99 4.50 0.00 1.68 1.65 1.06 0.95 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 81 A 9.22 4.56 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 82 P 0.00 4.56 0.00 2.19 2.20 0.00 3.38 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 83 G 9.10 4.01 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 0.00 0.00 0.00 84 E 8.28 4.51 0.00 2.08 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 2.34 2.38 0.00 85 T 8.30 5.21 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 86 F 9.46 5.10 0.00 3.11 2.92 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 0.00 0.00 0.00 87 E 8.09 5.76 0.00 1.95 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 1.96 1.92 0.00 88 Y 7.96 4.90 0.00 3.05 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 89 T 8.49 4.85 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 1.12 0.00 0.00 90 S 8.17 4.66 0.00 2.92 3.66 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 91 G 8.55 4.60 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 0.00 0.00 0.00 92 C 9.35 4.87 0.00 2.97 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 93 P 0.00 5.19 0.00 2.18 2.09 0.00 3.86 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 2.03 2.04 0.00 94 L 9.24 4.78 0.00 1.99 1.88 0.62 0.96 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 95 P 0.00 5.17 0.00 2.24 2.17 0.00 4.03 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 96 T 7.79 4.68 4.14 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 1.32 0.00 0.00 97 P 0.00 3.62 0.00 1.88 1.35 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 98 I 6.08 5.24 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.81 0.00 0.00 99 G 7.43 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 0.00 0.00 0.00 100 T 7.55 5.23 4.08 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 0.00 0.00 1.06 0.00 0.00 *102 R 8.51 4.45 0.00 2.07 2.11 0.00 2.98 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 103 G 8.18 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 0.00 104 T 7.89 4.94 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 1.16 0.00 0.00 105 Y 8.45 5.27 0.00 2.79 2.56 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 0.00 106 H 9.42 4.91 0.00 2.99 3.13 0.00 5.55 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.59 5.20 0.00 1.30 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 4.71 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 0.76 0.00 0.00 0.83 0.00 0.00 109 G 8.84 3.52 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 0.00 110 E 8.78 4.36 0.00 2.09 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 0.00 2.62 2.42 0.00 111 N 7.76 4.56 0.00 2.99 3.11 0.00 0.00 7.06 6.88 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 0.00 112 G 8.58 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 0.00 0.00 0.00 113 I 7.57 3.85 1.88 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 1.58 0.47 0.91 0.00 0.00 114 P 0.00 5.05 0.00 2.05 2.02 0.00 3.73 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 1.98 1.93 0.00 115 F 8.96 5.11 0.00 3.09 3.12 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 0.00 116 E 9.04 5.13 0.00 1.90 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 2.26 2.32 0.00 117 V 8.34 4.56 2.32 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 0.95 0.00 0.00 1.11 0.00 0.00 118 P 0.00 4.80 0.00 2.08 2.07 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 119 I 8.56 4.39 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 0.76 0.64 1.13 0.00 0.00 120 A 8.71 4.32 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 0.00 121 E 8.96 3.85 0.00 1.92 1.89 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 2.21 2.18 0.00 122 F 8.27 5.24 0.00 3.07 3.07 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 0.00 123 L 8.56 5.03 0.00 1.61 1.58 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.57 4.75 0.00 0.72 0.13 0.44 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.79 5.05 0.95 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 0.00 0.00 *127 P 0.00 4.46 0.00 2.24 2.29 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 128 R 7.93 4.06 0.00 1.75 1.85 0.00 3.39 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.