NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2299 8.3049 118.1965 53.8208 32.8169 173.1634 2 L 3.4584 8.2168 122.8431 52.9346 38.9451 172.7467 3 N 4.5604 9.3605 123.3707 52.4385 39.1074 176.0687 4 Q 4.0397 8.7841 118.3288 59.3859 28.5601 179.1755 5 E 3.9757 8.2063 119.8255 59.0385 29.7496 178.5031 6 L 3.9684 8.8398 120.8354 58.1148 42.2108 178.4667 7 E 4.0005 7.9864 118.2394 59.6254 29.4477 179.3675 8 L 4.0098 7.7754 118.0867 58.0068 41.7088 179.7987 9 S 4.1546 7.8199 114.4469 61.7634 62.9118 176.7573 10 L 4.1815 8.5635 121.8567 58.0969 41.3693 179.4902 11 N 4.5521 8.8483 116.8393 56.3130 38.4059 177.2285 12 M 4.0659 8.6075 119.9662 58.6195 32.4007 178.1647 13 A 4.0838 8.5612 121.3954 55.2174 18.5777 179.3291 14 F 4.3064 8.3466 118.8418 61.5262 39.4014 177.2582 15 A 4.0319 8.4039 120.5342 54.8002 17.9573 179.3816 16 R 3.8984 8.3643 117.3036 59.6600 30.0529 178.6182 17 A 4.1387 8.1948 120.2299 55.4442 18.4459 179.7542 18 R 3.9354 8.0195 117.9646 58.8691 29.9228 178.8743 19 E 4.1001 8.5411 118.3288 58.7215 29.5173 177.6413 20 H 4.6842 7.3399 113.2648 54.1032 29.6063 174.2712 21 R 3.8036 8.3410 119.4492 57.3063 28.2871 175.8072 22 H 4.7832 8.2235 113.8867 55.8904 29.0544 176.2555 23 E 3.8693 9.4729 124.1214 58.4813 30.5471 176.5466 24 F 5.5471 7.8225 115.9098 55.8390 43.3396 174.3313 25 M 4.1144 9.1261 123.4974 54.5837 33.3545 175.6518 26 T 4.9241 8.2406 116.8974 60.1719 71.7061 175.8375 27 V 3.7665 8.5079 119.8017 66.1396 31.3575 177.5810 28 E 3.9933 8.2496 118.1619 59.4837 29.3729 178.6636 29 H 4.1668 8.1686 115.9398 58.6957 28.8057 177.3407 30 L 4.0362 8.0742 122.0536 58.2913 41.7296 178.7361 31 L 3.9184 7.9874 118.9990 58.1213 42.2595 178.2683 32 L 4.0745 8.0648 119.9551 58.2826 41.8962 178.9091 33 A 4.1059 8.1443 120.5959 54.9977 18.2175 179.4972 34 L 4.0934 8.0163 117.2913 57.3906 41.4184 179.4320 35 L 3.9989 7.5242 118.1943 57.0693 41.5620 178.4591 36 S 4.7183 7.5705 112.4124 57.1415 63.1991 173.2811 37 N 4.6626 7.9497 123.4103 51.8034 39.4518 173.2164 38 P 4.6539 0.0000 0.0000 66.4890 30.5180 178.0226 39 S 4.1186 8.1999 112.7127 60.8525 62.3494 175.9422 40 A 4.0812 7.9251 122.7358 54.9110 18.3545 179.3852 41 R 3.7935 9.0806 118.2647 59.4867 30.1293 178.1964 42 E 3.8465 8.6304 119.3128 59.3889 29.3914 178.7079 43 A 3.3812 7.4437 118.4634 54.9280 18.7076 179.3750 44 L 4.0215 7.7572 117.1750 57.9611 41.6547 179.5004 45 E 3.8629 8.5970 118.6595 59.3680 29.4351 179.3165 46 A 3.7951 8.0780 120.7532 54.2750 17.9435 178.3144 47 C 4.9502 7.4477 114.7106 57.9301 29.6646 173.8219 48 S 3.6504 7.7919 115.9417 59.8033 60.0712 172.5088 49 V 4.2410 7.1127 111.6934 59.3889 34.2365 177.2066 50 D 4.4758 8.2812 122.9677 53.9141 40.5700 176.7625 51 L 4.0571 8.2179 127.4816 56.8004 41.6405 179.3475 52 V 3.5422 7.8205 118.3569 65.7635 31.4921 177.8351 53 A 4.3121 8.0127 121.2795 54.6376 18.3638 178.7640 54 L 4.5843 7.5993 120.0583 57.9056 42.0642 179.3370 55 R 3.9052 7.7743 118.0030 59.4219 29.8288 178.5361 56 Q 4.0065 7.7863 117.9880 58.9269 28.7739 178.4678 57 E 4.0330 8.7670 119.7797 59.4817 29.5045 179.3907 58 L 4.0569 8.2407 119.2045 58.0352 41.8190 179.5234 59 E 3.9839 8.3611 118.1684 59.4032 29.3448 179.3755 60 A 4.0539 8.2984 120.9274 54.9682 18.4265 179.5347 61 F 4.0353 8.6925 119.6491 61.4512 39.5200 177.4746 62 I 3.6306 8.2695 119.9206 64.2342 36.6555 178.0112 63 E 3.8724 7.7217 118.4695 59.4689 29.6394 178.4607 64 Q 4.0742 7.7196 117.5006 57.9110 29.2212 176.1951 65 T 4.2097 7.3302 107.3987 61.3564 70.2536 174.1333 66 T 4.3205 7.4783 120.0384 61.7469 69.0275 172.8609 67 P 4.4470 0.0000 0.0000 62.8203 32.5829 175.5757 68 V 4.6892 8.1844 122.9447 61.2948 33.2555 175.3570 69 L 4.2567 8.5746 127.4308 53.8669 42.3001 175.5235 70 P 4.3471 0.0000 0.0000 62.0230 32.0052 177.4130 71 A 3.9535 8.6564 124.9582 54.6125 18.3152 178.3057 72 S 4.2951 7.4422 113.6264 57.1128 61.8119 173.2188 *76 R 3.9346 7.8543 123.6197 56.8335 29.6187 174.3382 77 D 4.7891 8.0580 123.8401 51.7124 43.4561 175.8506 78 T 4.2499 8.2115 116.9851 64.0525 69.5835 173.4476 79 Q 4.7838 8.7550 125.7749 53.6287 32.7111 172.6139 80 P 4.6811 0.0000 0.0000 62.2370 32.3703 176.4356 81 T 4.1247 8.3590 113.5718 61.3275 69.9293 175.6865 82 L 4.0719 8.5360 122.2776 57.7757 41.5862 179.8316 83 S 4.0544 7.9777 112.9653 61.1636 62.4898 175.5886 84 F 3.9322 8.1904 123.3295 61.5532 39.1524 176.9667 85 Q 4.1533 8.3542 117.5043 59.1976 28.4479 179.3164 86 R 3.8932 8.0431 118.9307 59.0910 30.1157 179.0816 87 V 3.4889 7.6488 117.9835 66.0870 31.4912 177.8276 88 L 3.8375 7.4730 119.7582 58.1984 41.9168 178.7335 89 Q 4.0438 8.2652 119.5239 58.8734 28.9591 178.0893 90 R 3.9701 8.3410 120.3166 59.1800 30.1166 178.3897 91 A 4.0116 8.0731 120.6466 55.0960 18.4163 179.6488 92 V 3.5232 7.7855 116.8141 66.1376 31.5203 177.7981 93 F 4.0898 8.3202 120.1655 61.7643 39.4141 176.3263 94 H 4.1994 8.3994 118.9980 58.6439 29.4973 177.2787 95 V 3.4773 7.8023 119.8667 65.8702 31.4368 177.8466 96 Q 3.8438 7.9129 119.4965 59.1432 29.1388 177.9768 97 S 4.1676 8.3770 114.5941 59.5414 62.7823 175.0672 98 S 4.3916 7.2092 115.9100 57.5295 63.0891 173.9664 99 G 3.7534 7.6947 107.9694 47.4392 0.0000 174.0454 100 R 4.6953 7.8473 116.8984 54.0027 33.2148 176.3688 101 N 4.5492 8.7014 117.0230 55.3069 39.1582 175.5863 102 E 4.8997 7.8679 114.9419 54.4152 32.9677 175.6645 103 V 4.4090 8.3549 122.1243 61.7243 33.9598 175.0045 104 T 4.7799 8.3092 117.0816 59.6232 71.9164 175.4294 105 G 3.6260 8.7112 107.3168 47.7809 0.0000 175.6924 106 A 4.1481 7.8429 123.0828 55.0912 18.3608 179.5145 107 N 4.2825 7.9918 114.6842 56.3364 38.3754 177.8768 108 V 3.5300 7.5072 118.4975 65.8217 32.0775 177.2725 109 L 4.0679 8.4748 120.4691 58.2878 41.9783 179.0669 110 V 3.7911 8.0982 117.7899 66.2262 31.4163 177.8976 111 A 4.1572 8.1017 119.9035 54.8476 18.0924 179.5604 112 I 3.6650 7.6371 118.3978 64.2423 36.8579 178.2958 113 F 4.1251 8.0273 117.3696 60.0098 38.7392 177.1805 114 S 4.4974 7.8326 113.6044 59.6031 64.1448 174.8215 115 E 4.3508 7.9153 123.3782 54.1388 27.9219 176.4658 116 Q 3.9721 8.3598 121.4798 59.1261 29.1310 178.5820 117 E 4.4584 8.0675 113.7645 56.3189 29.9112 176.6797 118 S 4.5763 7.9227 115.5247 57.4073 65.5893 174.8671 119 Q 3.7774 8.5183 124.5041 59.0250 28.8228 178.4284 120 A 3.8216 8.3417 121.8903 55.0738 18.4246 179.4606 121 A 3.6212 7.9942 119.2408 55.2759 18.4469 179.1127 122 Y 4.0371 7.8001 117.6406 61.0191 38.7263 178.5149 123 L 3.5774 8.1786 120.1266 57.4268 41.6338 179.5732 124 L 3.9234 7.5924 118.7388 57.8003 41.4804 179.5109 125 R 3.9362 7.8948 118.6679 59.2376 29.7667 178.4574 126 K 3.7631 7.5853 118.5967 58.8599 32.0254 177.3304 127 H 4.6983 7.4177 115.0048 54.5721 29.4433 174.5824 128 E 3.7780 8.0658 118.4656 57.6005 27.4915 174.9693 129 V 4.2652 7.8886 117.9013 61.1804 32.6903 175.5600 130 S 4.7623 8.7882 122.7499 56.6264 66.3796 175.0892 131 R 2.5100 7.5958 120.7745 58.8246 29.6699 177.9254 132 L 3.8273 7.5790 119.6619 58.1438 42.0776 178.4413 133 D 4.3417 7.7466 118.4289 57.5202 40.7733 179.1024 134 V 3.6897 7.3218 117.6553 65.8051 31.5188 178.2845 135 V 3.5528 7.9095 118.2460 66.0184 31.4045 177.7720 136 N 4.3411 8.6448 116.6658 56.3040 38.1617 177.1759 137 F 4.3013 7.8840 120.5705 61.2391 39.5376 177.0828 138 I 3.6318 7.5787 118.6836 64.2892 37.0618 178.3768 139 S 4.1175 7.8234 113.5169 60.6948 63.3669 174.3148 140 H 4.7171 7.4612 118.8094 53.4499 30.2610 174.0707 141 G 3.8872 7.7485 109.9824 42.7055 0.0000 175.1604 142 T 4.1280 8.1059 117.1359 62.6240 67.0124 176.4044 143 R 4.2071 7.7671 122.3067 56.5082 28.7245 175.2867 144 K 4.3804 8.1036 121.1453 55.5333 33.2408 176.9393 145 D 4.5193 8.5305 122.6569 56.2860 41.1235 177.1738 146 E 4.7362 7.9299 119.9149 57.2020 28.9264 176.3765 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 M 8.30 4.23 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.78 0.00 2 L 8.22 3.46 0.00 2.03 1.79 0.94 0.80 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 3 N 9.36 4.56 0.00 2.97 3.10 0.00 0.00 6.74 6.61 0.00 0.00 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 Q 8.78 4.04 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 5 E 8.21 3.98 0.00 2.09 2.03 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 2.40 2.45 0.00 6 L 8.84 3.97 0.00 1.99 1.73 1.02 1.03 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 7 E 7.99 4.00 0.00 2.20 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 2.53 2.70 0.00 8 L 7.78 4.01 0.00 2.00 1.76 1.01 0.94 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 9 S 7.82 4.15 0.00 4.05 3.96 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 10 L 8.56 4.18 0.00 1.89 1.88 1.00 0.79 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 11 N 8.85 4.55 0.00 2.96 2.92 0.00 0.00 6.65 7.65 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 12 M 8.61 4.07 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 13 A 8.56 4.08 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 14 F 8.35 4.31 0.00 3.35 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 15 A 8.40 4.03 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 16 R 8.36 3.90 0.00 2.09 2.29 0.00 3.27 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 17 A 8.19 4.14 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 18 R 8.02 3.94 0.00 1.87 1.96 0.00 2.95 0.00 0.00 3.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 19 E 8.54 4.10 0.00 1.96 2.30 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 2.16 2.29 0.00 20 H 7.34 4.68 0.00 2.93 3.00 0.00 5.86 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.34 3.80 0.00 1.92 1.93 0.00 3.10 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 22 H 8.22 4.78 0.00 3.18 3.35 0.00 5.66 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 23 E 9.47 3.87 0.00 1.82 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 1.47 1.79 0.00 24 F 7.82 5.55 0.00 2.88 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 25 M 9.13 4.11 0.00 1.40 1.60 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.89 0.00 26 T 8.24 4.92 4.44 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 1.38 0.00 0.00 27 V 8.51 3.77 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 1.10 0.00 0.00 0.94 0.00 0.00 28 E 8.25 3.99 0.00 2.23 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 0.00 2.40 2.35 0.00 29 H 8.17 4.17 0.00 3.47 3.43 0.00 5.63 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 30 L 8.07 4.04 0.00 2.09 1.91 0.66 0.48 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 31 L 7.99 3.92 0.00 1.59 1.66 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.06 4.07 0.00 1.94 1.81 0.94 0.96 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 33 A 8.14 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.09 0.00 1.93 1.74 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.52 4.00 0.00 1.72 1.73 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.57 4.72 0.00 3.94 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 37 N 7.95 4.66 0.00 2.81 2.86 0.00 0.00 6.87 8.23 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 38 P 0.00 4.65 0.00 2.32 2.34 0.00 3.79 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 2.10 2.18 0.00 39 S 8.20 4.12 0.00 3.94 3.95 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 40 A 7.93 4.08 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 41 R 9.08 3.79 0.00 1.93 2.10 0.00 3.11 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 42 E 8.63 3.85 0.00 2.13 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 2.49 2.46 0.00 43 A 7.44 3.38 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 44 L 7.76 4.02 0.00 1.84 1.67 0.89 0.79 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 45 E 8.60 3.86 0.00 1.98 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 2.28 2.49 0.00 46 A 8.08 3.80 0.37 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 47 C 7.45 4.95 0.00 3.03 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 48 S 7.79 3.65 0.00 3.96 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 49 V 7.11 4.24 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 0.71 0.00 0.00 0.86 0.00 0.00 50 D 8.28 4.48 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 51 L 8.22 4.06 0.00 1.70 1.67 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.82 3.54 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 1.01 0.00 0.00 0.92 0.00 0.00 53 A 8.01 4.31 1.40 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 0.00 0.00 54 L 7.60 4.58 0.00 1.81 1.65 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.77 3.91 0.00 1.92 2.11 0.00 3.16 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 56 Q 7.79 4.01 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.75 0.00 57 E 8.77 4.03 0.00 2.13 2.03 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 2.36 2.50 0.00 58 L 8.24 4.06 0.00 1.68 1.74 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.36 3.98 0.00 2.10 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 2.50 0.00 60 A 8.30 4.05 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 61 F 8.69 4.04 0.00 3.24 3.24 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 62 I 8.27 3.63 1.84 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 1.37 0.83 0.74 0.00 0.00 63 E 7.72 3.87 0.00 1.97 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 0.00 2.31 2.32 0.00 64 Q 7.72 4.07 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 65 T 7.33 4.21 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 0.59 0.00 0.00 66 T 7.48 4.32 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 1.19 0.00 0.00 67 P 0.00 4.45 0.00 2.34 2.03 0.00 3.84 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 68 V 8.18 4.69 2.09 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 0.78 0.00 0.00 0.96 0.00 0.00 69 L 8.57 4.26 0.00 1.51 1.53 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.35 0.00 2.16 1.95 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 71 A 8.66 3.95 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 72 S 7.44 4.30 0.00 3.92 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 *76 R 7.85 3.93 0.00 1.88 1.86 0.00 3.25 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 77 D 8.06 4.79 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.25 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 1.34 0.00 0.00 79 Q 8.76 4.78 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 80 P 0.00 4.68 0.00 1.87 1.28 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.52 0.00 81 T 8.36 4.12 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 1.07 0.00 0.00 82 L 8.54 4.07 0.00 1.69 1.76 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.98 4.05 0.00 3.87 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 84 F 8.19 3.93 0.00 3.22 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 85 Q 8.35 4.15 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 86 R 8.04 3.89 0.00 2.00 1.95 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 87 V 7.65 3.49 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 0.84 0.00 0.00 0.87 0.00 0.00 88 L 7.47 3.84 0.00 1.47 1.57 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.27 4.04 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 90 R 8.34 3.97 0.00 2.10 2.07 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 91 A 8.07 4.01 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 92 V 7.79 3.52 2.28 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 1.04 0.00 0.00 1.00 0.00 0.00 93 F 8.32 4.09 0.00 3.27 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 94 H 8.40 4.20 0.00 3.30 3.44 0.00 5.69 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 95 V 7.80 3.48 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 1.07 0.00 0.00 1.05 0.00 0.00 96 Q 7.91 3.84 0.00 2.31 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 97 S 8.38 4.17 0.00 3.66 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 98 S 7.21 4.39 0.00 3.87 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 99 G 7.69 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 0.00 100 R 7.85 4.70 0.00 1.73 1.79 0.00 3.28 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 101 N 8.70 4.55 0.00 2.70 2.86 0.00 0.00 6.77 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 0.00 102 E 7.87 4.90 0.00 1.81 1.83 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 2.20 2.26 0.00 103 V 8.35 4.41 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 1.03 0.00 0.00 0.97 0.00 0.00 104 T 8.31 4.78 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 1.22 0.00 0.00 105 G 8.71 3.63 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 0.00 0.00 0.00 106 A 7.84 4.15 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 0.00 107 N 7.99 4.28 0.00 2.93 2.89 0.00 0.00 6.63 8.28 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 0.00 108 V 7.51 3.53 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 0.70 0.00 0.00 0.97 0.00 0.00 109 L 8.47 4.07 0.00 1.82 1.89 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.10 3.79 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 0.93 0.00 0.00 1.02 0.00 0.00 111 A 8.10 4.16 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 0.00 112 I 7.64 3.66 1.81 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 1.41 0.67 0.69 0.00 0.00 113 F 8.03 4.13 0.00 3.13 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 0.00 114 S 7.83 4.50 0.00 3.95 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 0.00 115 E 7.92 4.35 0.00 2.09 1.86 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 2.26 2.38 0.00 116 Q 8.36 3.97 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.47 0.00 0.00 0.00 0.00 0.00 2.59 2.38 0.00 117 E 8.07 4.46 0.00 1.93 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 2.27 0.00 118 S 7.92 4.58 0.00 4.13 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 0.00 119 Q 8.52 3.78 0.00 1.39 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 120 A 8.34 3.82 1.26 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 0.00 0.00 121 A 7.99 3.62 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 0.00 122 Y 7.80 4.04 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 0.00 123 L 8.18 3.58 0.00 1.57 1.60 0.84 0.41 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 0.00 124 L 7.59 3.92 0.00 1.66 1.63 0.11 0.49 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 0.00 125 R 7.89 3.94 0.00 1.91 1.99 0.00 3.13 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 126 K 7.59 3.76 0.00 1.23 1.53 0.00 1.73 0.00 0.00 1.31 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.21 1.24 7.81 127 H 7.42 4.70 0.00 3.18 3.23 0.00 5.86 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.07 3.78 0.00 2.07 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 2.23 2.20 0.00 129 V 7.89 4.27 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 0.93 0.00 0.00 0.99 0.00 0.00 130 S 8.79 4.76 0.00 3.99 3.95 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 0.00 131 R 7.60 2.51 0.00 1.26 1.64 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 132 L 7.58 3.83 0.00 1.71 1.56 0.96 1.24 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 0.00 133 D 7.75 4.34 0.00 2.81 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 0.00 134 V 7.32 3.69 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 1.09 0.00 0.00 1.05 0.00 0.00 135 V 7.91 3.55 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 0.93 0.00 0.00 0.91 0.00 0.00 136 N 8.64 4.34 0.00 2.81 2.90 0.00 0.00 6.69 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 0.00 137 F 7.88 4.30 0.00 3.00 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 0.00 138 I 7.58 3.63 1.97 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 1.64 0.91 0.87 0.00 0.00 139 S 7.82 4.12 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 0.00 140 H 7.46 4.72 0.00 3.29 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.75 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 0.00 142 T 8.11 4.13 4.34 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 1.54 0.00 0.00 143 R 7.77 4.21 0.00 1.86 2.02 0.00 3.28 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 144 K 8.10 4.38 0.00 1.81 1.73 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.80 1.44 7.81 145 D 8.53 4.52 0.00 2.70 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 0.00 146 E 7.93 4.74 0.00 2.09 1.91 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 2.02 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.