NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 E 4.4057 8.4293 120.2244 56.1293 30.6517 177.2152 -6 N 4.6274 8.5365 122.4927 51.8236 37.3496 174.8728 -5 L 3.8329 9.0238 123.0143 59.4162 41.3510 179.7582 -4 Y 3.8576 7.6292 115.9022 60.0600 38.0933 176.3620 -3 F 5.1574 7.7753 117.1872 57.2787 39.0095 177.2307 -2 Q 3.5087 7.1863 120.8781 60.1955 29.1819 178.3783 -1 G 4.0800 7.9436 104.5340 46.1020 0.0000 173.5568 0 H 4.5192 7.8184 118.7967 53.4226 30.1048 173.7024 -5 D 4.1329 9.2038 121.6143 58.5162 40.0510 178.4582 -4 K 3.6276 7.7992 116.0022 58.3600 33.3933 177.0620 -3 K 4.8574 7.7653 117.2873 55.7787 32.5095 178.0307 -2 S 3.6387 7.1763 116.7781 62.7955 63.5819 176.9783 -1 L 4.4600 7.7736 117.5340 56.1020 41.9201 176.2568 0 Y 4.3392 7.5184 120.8967 56.3226 38.9049 175.5024 8 K 4.1307 8.2761 120.3230 59.6641 32.3107 177.9732 9 Y 4.0783 8.0814 119.1662 60.7087 38.8736 177.6252 10 L 3.7031 7.9788 119.1942 57.8327 41.6991 179.4441 11 L 3.9773 7.8445 118.2583 57.8009 41.7004 179.5348 12 L 4.0513 8.0411 118.9643 57.7477 41.3615 179.4966 13 R 3.8727 7.5880 117.6240 59.1837 30.0024 178.0620 14 S 4.5175 8.1564 113.2797 59.2728 63.1612 174.5900 15 T 4.4995 7.5206 110.9959 61.3075 68.8351 174.8352 16 G 3.8453 8.7233 108.1587 46.3276 0.0000 173.1808 17 D 4.6213 7.6152 119.1312 52.1450 41.9231 175.3556 *19 H 4.5742 8.4094 121.5697 54.7196 29.6501 173.1277 20 R 3.8575 8.5903 120.7041 56.4576 30.3479 176.0770 21 A 4.3300 8.6374 126.3874 52.7776 18.9636 176.5193 22 K 4.5852 8.5207 122.6213 54.2995 35.0715 176.1960 23 S 4.3384 8.8465 123.7630 58.0495 63.2558 172.7664 24 P 4.5756 0.0000 0.0000 62.8529 31.9433 176.0878 25 T 4.5881 8.3509 107.4664 62.1785 71.7793 174.7176 26 I 4.4011 7.2511 114.5533 60.9153 39.6209 177.2229 *28 T 4.1370 8.4015 116.2462 63.1756 70.0624 172.2767 29 R 3.8967 8.5267 126.4047 55.3757 29.7985 176.2567 30 V 3.8748 8.5527 121.3960 63.0880 32.1861 175.9768 31 T 4.6807 7.1579 113.8737 61.6003 72.7239 172.7803 32 N 4.3764 9.0150 120.0263 56.9694 38.3446 174.9480 33 N 5.1451 8.5569 112.2115 52.7031 41.3905 174.0398 34 V 4.8755 7.7392 120.0690 61.5357 33.5306 174.0158 35 Y 5.2789 9.4040 125.2849 56.1002 41.6882 174.2154 36 L 5.2385 8.9050 124.2920 53.7192 44.6999 175.7681 37 G 4.2782 8.9271 111.8307 46.0884 0.0000 170.2479 38 N 5.4752 9.0692 118.0790 51.1762 40.0504 174.9661 39 Y 3.7289 8.6884 119.1701 60.7325 39.1230 178.1179 40 K 4.0575 8.3258 119.3658 59.6008 32.3904 177.7284 41 N 4.3847 8.7137 115.6101 56.2952 38.7720 178.2238 42 A 3.7632 7.3739 120.4354 52.1758 18.3045 178.5243 *44 D 4.4614 8.1376 119.6785 55.1027 43.2449 177.5612 45 A 3.9953 7.8586 123.4646 54.8432 18.5587 177.9860 46 P 4.2405 0.0000 0.0000 65.5823 31.3499 177.3952 47 S 4.6099 7.5480 109.4439 57.8387 63.2243 174.2665 48 S 4.3204 7.6684 115.8102 58.3480 62.6497 174.1811 49 E 4.0629 8.6683 125.1978 58.9487 29.5233 178.2274 50 V 3.6229 7.3854 118.7544 61.0302 31.9927 177.1453 51 K 4.1636 7.9819 124.1604 54.8889 30.5243 175.3468 52 F 4.3643 8.0284 120.8357 57.4474 39.9305 175.4966 53 K 4.3071 9.2313 124.4176 57.4928 33.9899 176.1272 54 Y 5.5189 8.0493 115.7077 56.1514 42.8084 174.6817 55 V 4.7907 9.1054 121.7482 61.1499 35.2600 173.9694 56 L 4.9163 9.3611 130.7539 53.6775 43.4883 174.4805 57 N 4.7619 9.3006 127.4009 52.4885 39.9799 174.8953 58 L 5.3273 8.9465 125.6414 53.0722 43.6771 177.0608 59 T 4.6319 8.4492 118.6900 61.2579 67.4303 177.2472 *61 D 4.7189 8.8239 118.3276 53.7056 41.6509 174.8156 62 K 4.0790 8.5191 123.4567 56.3867 33.7804 175.3733 63 Y 4.9662 7.5189 117.8748 55.8259 41.1975 173.7235 64 T 4.7420 8.4320 109.1603 59.9261 71.8055 174.0587 65 L 4.7089 7.9902 122.1065 51.6079 41.9859 175.4152 66 P 4.3244 0.0000 0.0000 65.8362 31.4492 178.7519 67 N 4.3912 8.1146 116.0771 54.9322 38.6540 175.7264 68 S 4.5065 7.4681 112.2752 57.8738 64.0680 173.0504 69 N 4.9095 8.3318 116.7105 53.3349 39.0476 174.0992 70 I 4.1051 7.1801 116.8233 60.4535 38.2404 175.4085 71 N 4.7458 8.7280 124.1632 52.5887 40.0339 174.0328 72 I 4.9204 8.3647 124.0923 59.5839 39.6918 174.8526 73 I 4.3969 8.9056 127.9757 59.6182 39.8360 174.0080 74 H 5.2105 8.7684 126.3697 54.6953 31.7883 173.4506 75 I 4.2631 8.4073 128.2785 58.3171 38.6476 172.5262 76 P 5.3468 0.0000 0.0000 62.3395 31.5902 175.8056 77 L 4.8132 8.0997 124.6614 52.5700 44.7006 176.4203 78 V 4.0134 8.3760 121.5625 62.1931 32.4452 176.0391 79 D 4.8285 8.4916 127.5016 52.6885 39.7223 174.2702 80 D 4.6539 7.8122 123.0826 51.9200 42.6496 175.7422 81 T 4.2989 8.3655 107.5206 62.0143 69.1519 175.0377 82 T 4.4622 7.8410 112.0863 62.6542 70.7971 175.1328 83 T 3.9962 9.0151 112.7077 61.4140 69.3046 173.0558 84 D 4.7863 8.5785 123.9152 53.5719 42.0073 176.4392 85 I 4.3930 8.7900 120.5035 61.1738 38.6896 177.7887 86 S 2.0000 7.8091 116.4142 60.4954 62.4742 176.1709 87 K 3.7997 7.5045 120.9497 59.2751 32.4197 177.7485 88 Y 4.4347 7.4851 116.8361 58.5299 38.2214 177.2461 89 F 4.7103 7.7693 119.9458 61.0730 39.0353 177.0889 90 D 4.5034 8.2943 117.4187 57.6794 40.7744 178.4549 91 D 4.4311 8.2065 118.7100 57.4889 40.8209 179.0992 92 V 3.7311 8.1028 118.7904 66.2718 31.6432 178.1881 93 T 3.9328 8.6417 109.8773 64.7911 68.5965 176.1848 94 A 4.0820 8.4870 123.9655 54.9956 18.4317 179.4270 95 F 4.1345 8.3809 119.1259 61.3412 39.4552 177.4423 96 L 3.3750 7.9171 118.8710 57.1991 41.2130 179.1154 97 S 4.3839 8.2505 114.9181 60.7220 62.3201 176.2299 98 K 3.8701 7.8682 122.0662 59.7125 31.8747 178.3105 99 C 3.9487 7.5288 116.9140 62.9976 28.0971 176.0217 100 D 4.3613 8.1506 120.1784 57.5217 40.2397 178.6249 101 Q 4.0659 8.1253 117.5355 58.7595 28.8203 178.5515 102 R 4.3756 7.9061 115.3952 54.5866 31.4833 176.1312 103 N 4.2594 7.5234 114.7182 53.5976 36.4718 175.6267 104 E 4.6407 8.3982 116.3802 53.7122 31.7007 176.1866 105 P 4.8778 0.0000 0.0000 63.0036 32.7111 176.0046 106 V 5.3087 9.5063 123.1747 60.0528 35.2238 173.8614 107 L 5.1901 8.7255 126.3054 53.4196 44.1286 175.0232 108 V 5.0365 9.2684 127.0035 60.3778 33.5658 174.6189 109 H 5.7538 9.3831 119.5737 53.0086 32.1632 172.3687 110 C 5.0226 8.6934 114.0070 58.6147 30.0817 175.1333 111 A 4.2208 8.8507 117.5728 54.6211 18.4600 178.9180 112 A 4.3470 8.0069 115.7124 51.8109 19.6904 177.5325 113 G 4.1439 8.2700 103.1723 45.8661 0.0000 174.4340 114 V 4.2233 8.0187 117.3829 64.1511 33.1555 176.4615 115 N 4.6953 7.7144 116.0405 55.3825 38.8637 177.5222 116 R 4.0455 7.9575 119.3265 59.5643 30.7336 179.0671 117 S 4.4110 8.1760 113.7044 61.2165 63.1670 176.1671 118 G 3.7153 8.2648 108.8096 47.5160 0.0000 176.3963 119 A 4.1563 8.0130 121.1426 52.3196 18.2701 179.2818 *121 I 4.1921 7.7135 123.0958 62.9428 39.2317 177.9943 122 L 4.1098 8.7302 120.3969 58.0661 41.8714 178.4882 123 A 3.4573 8.0872 120.1719 55.0649 18.2942 178.6593 124 Y 4.3817 7.9138 117.3527 60.8296 39.0462 178.8307 125 L 3.7385 8.0351 116.9990 55.6737 41.4703 179.0364 *127 S 4.4855 8.0132 115.0024 58.0998 64.7376 174.9972 128 K 4.0010 7.3935 118.9672 58.0752 32.1366 176.9071 129 N 4.1951 7.6933 117.2919 53.0512 39.3026 174.4797 130 K 4.3687 8.0814 122.3201 56.2527 33.8117 176.0371 131 E 4.2068 7.6434 118.1168 56.2773 30.1678 177.4214 132 S 4.3182 8.5629 115.1668 61.2706 63.6295 175.4639 133 L 4.9768 7.3904 116.1262 52.5066 41.9748 174.8413 134 P 4.4064 0.0000 0.0000 62.6705 32.7559 177.4792 *136 L 4.2029 8.5832 124.4158 55.2288 43.9591 177.9437 137 Y 4.0458 8.1512 118.4655 60.5884 38.7359 177.2658 138 F 4.1673 8.7166 121.7561 61.5241 39.5145 177.1026 139 L 3.9577 8.1188 117.9637 57.8657 41.4826 178.7584 140 Y 4.0409 8.2303 119.5697 60.6949 38.5578 178.2703 141 V 3.1944 7.5543 118.0475 65.8331 31.6557 177.0401 142 Y 4.0620 7.4641 118.1172 61.1425 38.9468 177.5601 143 H 4.2858 8.1488 117.0589 58.5875 28.6718 178.3483 144 S 4.0082 7.5024 113.3073 59.3063 62.2224 176.0186 *146 R 4.0705 7.9245 124.2428 56.4350 31.5039 177.2787 147 D 4.4345 8.3482 116.9891 57.2593 41.0251 177.6614 148 L 4.0404 7.9758 120.3442 57.4622 42.1668 177.7749 149 R 4.2489 7.7109 115.4298 56.0910 31.3126 175.8536 150 G 4.1956 9.9108 106.2442 45.7758 0.0000 173.5357 151 A 4.9036 7.4138 118.9776 51.0601 21.9763 175.4812 152 F 4.5807 9.6653 124.0825 58.5693 42.6830 174.8692 153 V 3.3768 8.1647 127.4239 64.3182 29.6508 172.9584 154 E 4.0899 8.0514 120.6849 58.4939 30.5926 177.3427 155 N 4.1329 8.4878 117.7144 53.1126 39.4921 173.4700 156 P 4.2954 0.0000 0.0000 65.8814 31.3888 178.3176 157 S 4.1492 8.3639 113.2463 61.2081 62.2975 176.0765 158 F 4.6078 8.4138 120.1854 60.5193 38.6587 177.6452 159 K 4.0941 8.1571 117.6627 59.5000 31.8439 178.9945 160 R 3.8977 8.1194 119.0794 60.0336 29.8903 178.4355 161 Q 4.1135 8.3222 117.3825 59.0631 28.6889 178.8329 162 I 3.9258 8.1851 121.0032 64.3261 37.1483 178.5795 163 I 3.4186 8.1820 121.1707 64.2058 36.7974 178.2386 164 E 3.9205 8.4488 119.7590 59.3548 29.1114 179.4898 165 K 3.8985 8.0509 118.1383 58.9521 32.4351 177.5789 166 Y 4.6749 7.9463 113.3560 57.4962 39.2935 176.4858 167 V 4.2822 7.7673 118.3555 62.6966 33.4773 177.0911 168 I 3.8287 7.7944 112.7265 62.0910 38.0588 175.0847 169 D 4.8658 7.4548 120.6108 51.4262 40.4468 175.4784 170 K 4.7421 8.1918 125.1632 56.3402 32.3147 176.5523 171 N 4.5634 9.0719 126.5559 54.4004 39.6035 173.7103 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 E 8.43 4.41 0.00 1.96 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 -6 N 8.54 4.63 0.00 3.07 3.03 0.00 0.00 5.71 5.79 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 -5 L 9.02 3.83 0.00 1.73 1.81 0.49 0.57 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 -4 Y 7.63 3.86 0.00 2.53 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 -3 F 7.78 5.16 0.00 3.32 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 -2 Q 7.19 3.51 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.49 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 -1 G 7.94 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 0.00 0.00 0.00 0.00 0 H 7.82 4.52 0.00 3.11 3.37 0.00 5.98 0.00 0.00 0.00 0.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 D 9.20 4.13 0.00 2.83 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 -4 K 7.80 3.63 0.00 1.34 1.67 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.40 7.81 -3 K 7.77 4.86 0.00 2.02 1.74 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.34 7.81 -2 S 7.18 3.64 0.00 3.94 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 -1 L 7.77 4.46 0.00 1.41 1.48 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0 Y 7.52 4.34 0.00 2.85 3.19 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 8 K 8.28 4.13 0.00 2.15 2.04 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.56 7.81 9 Y 8.08 4.08 0.00 3.24 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 10 L 7.98 3.70 0.00 1.64 1.63 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.84 3.98 0.00 1.80 1.74 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.04 4.05 0.00 1.68 1.67 0.95 0.69 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 13 R 7.59 3.87 0.00 1.34 1.44 0.00 2.52 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.32 0.00 14 S 8.16 4.52 0.00 3.84 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 15 T 7.52 4.50 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 16 G 8.72 3.85 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 0.00 0.00 0.00 17 D 7.62 4.62 0.00 2.63 2.72 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 *19 H 8.41 4.57 0.00 3.30 3.36 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.59 3.86 0.00 1.82 1.94 0.00 3.28 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 1.64 1.66 0.00 21 A 8.64 4.33 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.52 4.59 0.00 1.78 1.68 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.40 7.81 23 S 8.85 4.34 0.00 3.82 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 24 P 0.00 4.58 0.00 2.08 2.03 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 25 T 8.35 4.59 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 1.22 0.00 0.00 26 I 7.25 4.40 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.93 0.00 0.00 *28 T 8.40 4.14 4.27 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 0.00 0.00 0.00 1.15 0.00 0.00 29 R 8.53 3.90 0.00 1.59 1.68 0.00 3.16 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.00 30 V 8.55 3.87 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 0.74 0.00 0.00 1.06 0.00 0.00 31 T 7.16 4.68 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 1.53 0.00 0.00 32 N 9.02 4.38 0.00 2.66 3.06 0.00 0.00 6.70 7.79 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 33 N 8.56 5.15 0.00 2.86 2.88 0.00 0.00 6.61 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 34 V 7.74 4.88 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 1.13 0.00 0.00 0.85 0.00 0.00 35 Y 9.40 5.28 0.00 3.06 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 36 L 8.90 5.24 0.00 1.70 1.61 1.09 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.93 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 0.00 0.00 0.00 0.00 38 N 9.07 5.48 0.00 3.09 3.12 0.00 0.00 7.07 7.11 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 39 Y 8.69 3.73 0.00 3.18 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 40 K 8.33 4.06 0.00 1.82 1.98 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.51 7.81 41 N 8.71 4.38 0.00 2.76 2.82 0.00 0.00 7.06 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 42 A 7.37 3.76 0.57 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 0.00 0.00 *44 D 8.14 4.46 0.00 2.69 2.73 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 45 A 7.86 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.24 0.00 2.04 2.15 0.00 3.55 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 47 S 7.55 4.61 0.00 3.93 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 48 S 7.67 4.32 0.00 3.96 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 0.00 49 E 8.67 4.06 0.00 1.97 1.97 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 2.30 2.23 0.00 50 V 7.39 3.62 1.02 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 0.29 0.00 0.00 -0.58 0.00 0.00 51 K 7.98 4.16 0.00 1.64 1.74 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.46 7.81 52 F 8.03 4.36 0.00 3.06 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 53 K 9.23 4.31 0.00 1.64 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0.00 0.00 0.00 1.64 1.09 1.11 0.00 0.00 122 L 8.73 4.11 0.00 1.80 1.90 1.08 1.41 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 0.00 123 A 8.09 3.46 1.04 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 0.00 0.00 124 Y 7.91 4.38 0.00 3.01 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 0.00 125 L 8.04 3.74 0.00 1.84 1.68 0.87 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *127 S 8.01 4.49 0.00 4.11 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 0.00 128 K 7.39 4.00 0.00 1.77 1.75 0.00 1.20 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.25 1.03 7.81 129 N 7.69 4.20 0.00 1.64 2.36 0.00 0.00 6.85 6.68 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 0.00 130 K 8.08 4.37 0.00 1.68 1.76 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.32 7.81 131 E 7.64 4.21 0.00 1.92 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 2.30 2.17 0.00 132 S 8.56 4.32 0.00 3.86 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 0.00 133 L 7.39 4.98 0.00 1.58 1.57 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.41 0.00 2.31 2.37 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 *136 L 8.58 4.20 0.00 1.81 1.83 0.68 0.91 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 0.00 137 Y 8.15 4.05 0.00 3.15 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 0.00 138 F 8.72 4.17 0.00 3.39 3.17 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 0.00 139 L 8.12 3.96 0.00 1.82 1.79 0.97 0.90 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 0.00 140 Y 8.23 4.04 0.00 3.07 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 0.00 141 V 7.55 3.19 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 0.69 0.00 0.00 0.31 0.00 0.00 142 Y 7.46 4.06 0.00 2.45 2.62 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 0.00 143 H 8.15 4.29 0.00 3.24 3.21 0.00 5.68 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 0.00 144 S 7.50 4.01 0.00 3.31 3.44 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 *146 R 7.92 4.07 0.00 1.43 1.81 0.00 3.05 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 147 D 8.35 4.43 0.00 2.81 2.72 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 0.00 148 L 7.98 4.04 0.00 1.51 1.61 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.71 4.25 0.00 1.95 1.99 0.00 3.26 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 150 G 9.91 4.20 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 0.00 151 A 7.41 4.90 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 0.00 152 F 9.67 4.58 0.00 2.72 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 0.00 153 V 8.16 3.38 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 0.91 0.00 0.00 0.17 0.00 0.00 154 E 8.05 4.09 0.00 2.00 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 2.36 2.27 0.00 155 N 8.49 4.13 0.00 2.31 2.27 0.00 0.00 6.79 7.31 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 0.00 156 P 0.00 4.30 0.00 2.28 2.28 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 157 S 8.36 4.15 0.00 3.99 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 0.00 158 F 8.41 4.61 0.00 3.28 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 0.00 159 K 8.16 4.09 0.00 1.99 1.90 0.00 1.33 0.00 0.00 1.09 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 160 R 8.12 3.90 0.00 2.06 2.18 0.00 3.10 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 161 Q 8.32 4.11 0.00 2.53 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.72 0.00 162 I 8.19 3.93 2.22 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 1.16 0.00 0.00 163 I 8.18 3.42 1.90 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 0.61 0.45 0.73 0.00 0.00 164 E 8.45 3.92 0.00 2.22 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 2.37 0.00 165 K 8.05 3.90 0.00 1.75 1.80 0.00 1.33 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.66 0.21 7.81 166 Y 7.95 4.67 0.00 3.08 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 0.00 167 V 7.77 4.28 1.96 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 0.49 0.00 0.00 0.82 0.00 0.00 168 I 7.79 3.83 1.84 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 1.64 0.58 0.85 0.00 0.00 169 D 7.45 4.87 0.00 2.79 2.72 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 0.00 170 K 8.19 4.74 0.00 1.82 0.94 0.00 1.93 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.43 7.81 171 N 9.07 4.56 0.00 2.61 2.63 0.00 0.00 6.63 7.56 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 * Residues marked with a * may have inaccurate shift predictions.