NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.2434 8.3401 118.8246 55.7188 29.9296 174.9050 10 A 3.9799 8.3776 124.9023 49.1906 19.0434 174.5988 11 P 4.5480 0.0000 0.0000 62.0583 33.1961 174.3542 12 I 3.9396 8.0013 111.2650 59.8459 38.2868 175.4670 13 A 3.8430 8.6753 123.8516 52.7791 18.4262 177.6681 14 A 4.2247 8.4497 125.9895 52.0751 19.2598 176.2418 15 Y 4.3521 8.4947 122.3482 56.9705 39.6580 175.6131 16 K 4.2287 7.4118 126.3572 53.4976 32.0736 173.8704 17 P 4.2410 0.0000 0.0000 63.2548 31.7091 176.9560 18 R 4.4390 8.4283 120.0258 56.4367 31.3652 176.0459 19 S 4.6470 7.5381 110.4015 56.8569 65.7659 172.8752 20 N 5.1486 8.4500 119.1923 52.7727 39.4294 174.4169 21 E 4.7967 8.7722 118.9961 55.7496 33.5341 174.2807 22 I 4.8701 8.4689 121.6146 59.6396 39.7378 174.9236 23 L 4.6973 9.1589 128.1550 53.0531 43.1048 175.8065 24 W 5.1257 8.9598 124.3677 55.6680 30.4658 176.3515 25 D 4.7487 9.5964 124.0642 53.6279 41.6351 176.9923 26 G 3.6572 8.6193 108.7932 47.2429 0.0000 173.9764 27 Y 4.3702 8.1629 116.1177 57.6066 38.2307 175.9409 28 G 4.0055 8.1153 107.3126 46.0691 0.0000 173.4523 29 V 4.4774 8.0099 119.8572 60.5824 33.2558 172.6395 30 P 4.4088 0.0000 0.0000 61.6834 32.9780 174.7587 31 H 4.4468 8.7803 121.3609 54.2260 30.4805 173.6028 32 I 4.4450 7.7846 125.1533 60.1027 38.2633 174.9722 33 Y 4.6338 8.9488 125.6959 56.0632 40.5414 175.3250 34 G 4.5470 8.5451 110.1566 44.4101 0.0000 173.8486 35 V 3.9138 9.9575 118.1073 63.0577 31.7629 175.4141 36 D 4.5635 7.5196 117.0492 50.8258 42.0165 175.3571 37 A 4.1346 8.4840 120.2599 55.1505 18.0879 177.6464 38 P 4.2905 0.0000 0.0000 66.0275 31.5018 179.0104 39 S 4.1854 8.8615 113.6242 61.4859 62.6849 176.5981 40 A 4.0403 8.3580 123.6692 55.4103 18.2395 179.7708 41 F 4.1835 8.6175 115.6093 60.5733 38.9228 177.2717 42 Y 4.4835 8.3836 119.6884 60.7184 38.7218 177.6392 43 G 3.8310 8.7827 107.0987 48.0320 0.0000 174.9751 44 Y 4.5220 8.5849 122.1223 60.5788 38.9481 178.2821 45 G 2.7059 8.2585 106.6611 47.0981 0.0000 175.2327 46 W 4.0629 8.6818 131.0082 60.1550 30.6570 177.4128 47 A 4.5782 8.7034 121.0324 55.9739 17.8188 179.6320 48 Q 3.9221 8.1985 115.6957 59.0892 28.7373 179.1358 49 A 3.8128 7.6070 121.6692 54.7202 18.0465 179.7085 50 R 2.7850 7.1124 116.8114 59.2239 30.2179 178.4311 51 S 4.4217 8.0379 113.3275 60.2137 63.4352 174.8268 52 H 4.8335 8.6332 117.8650 54.7812 30.5655 175.6313 53 G 3.7555 7.7534 106.9807 48.4024 0.0000 175.6042 54 D 4.3113 7.9984 121.0523 57.0766 40.9504 178.9747 55 N 4.3049 7.9885 116.0229 55.9555 38.5134 177.5530 56 I 3.4318 7.5344 121.4112 64.2775 37.1585 178.4728 57 L 3.8795 7.6921 119.8394 57.4850 41.3724 179.5892 58 R 3.7383 7.9367 118.7360 59.2722 30.0179 178.2458 59 L 4.0589 8.2883 119.0865 58.4180 41.5682 179.0420 60 Y 4.4967 8.5844 116.7943 61.3563 37.8339 179.0916 61 G 4.2309 8.7399 106.4534 48.3780 0.0000 175.5729 62 E 4.2619 8.7262 120.7861 58.9711 29.3222 179.0208 63 A 4.1594 8.1719 119.5122 54.1082 18.5904 178.7831 64 R 4.2579 7.7203 115.0079 55.8776 30.4579 177.2430 65 G 3.8225 7.9366 107.1316 46.5399 0.0000 174.6805 66 K 4.1533 7.8045 117.3334 55.6106 32.0400 178.4608 67 G 3.7541 7.9018 107.9790 48.1474 0.0000 175.9398 68 A 4.2487 8.0960 124.0309 54.7186 18.1357 179.3516 69 E 3.7521 7.6631 116.4056 59.3342 29.8555 178.0278 70 Y 4.2251 7.1623 116.1862 59.4949 37.9487 176.2748 71 W 4.7179 7.7673 115.4005 55.5576 31.1897 175.6803 72 G 3.9772 8.4805 106.5497 44.1507 0.0000 172.5282 73 P 4.2319 0.0000 0.0000 65.9903 31.0251 178.3011 74 D 4.4313 8.3895 114.9022 56.4826 40.9039 177.1317 75 Y 4.5534 8.5556 116.3170 57.6854 38.5684 176.9870 76 E 4.0427 8.4482 122.6337 59.3793 29.6519 178.7470 77 Q 4.0439 8.0497 117.7620 59.2183 28.9012 178.5276 78 T 4.0176 7.9351 116.3371 66.8142 68.4535 176.5799 79 T 3.8516 7.8353 117.4747 66.8649 68.5962 176.7987 80 V 3.5813 8.1692 120.3069 65.6646 31.3451 177.8930 81 W 4.2823 8.5635 128.4028 60.5771 30.5956 178.0788 82 L 3.5919 8.6232 119.1445 57.1568 41.0047 179.4367 83 L 3.8707 8.0848 119.4736 57.7566 41.4603 179.2366 84 T 3.8102 7.5455 114.5924 66.5855 68.4763 175.4404 85 N 4.4885 7.1777 115.0122 51.8396 38.8229 175.1197 86 G 3.8784 8.1678 109.3353 46.1085 0.0000 176.6752 87 V 3.2091 7.4783 119.9086 65.0581 31.2953 175.1413 88 P 4.1218 0.0000 0.0000 65.5167 31.5265 177.9179 89 E 3.9956 7.9137 117.6171 59.2696 29.6621 178.6539 90 R 3.7795 8.0738 118.4441 59.0174 30.0923 178.2987 91 A 4.0135 7.8975 120.8218 54.8561 18.2839 179.6066 92 Q 4.0591 7.9402 116.9887 59.0576 28.7320 178.9099 93 Q 4.0074 7.8725 118.5804 59.0214 28.7791 178.3941 94 W 4.6831 8.4029 118.9075 60.1660 29.4098 177.7791 95 Y 4.3334 8.2475 118.7534 60.7438 38.0911 177.7348 96 A 3.8992 7.9651 120.5170 55.0239 18.5953 178.9228 97 Q 4.1879 8.4098 114.3413 56.3407 29.1088 176.6336 98 Q 4.2577 7.0002 119.4705 55.2206 29.7542 176.6017 99 S 4.4280 8.2791 114.5900 57.5263 65.5156 173.4634 100 P 4.2436 0.0000 0.0000 65.6418 30.5838 178.5240 101 D 4.3574 8.1143 117.5431 56.7486 39.0786 178.4771 102 F 3.8424 7.7840 121.9426 60.4135 39.3996 177.0811 103 R 3.7416 8.5515 118.6136 59.4648 29.6160 178.3093 104 A 4.1251 7.8541 120.1741 54.8638 18.3284 179.3871 105 N 3.9621 7.2516 114.2563 56.0245 38.3091 177.6842 106 L 3.9034 7.4598 120.5635 57.9861 41.7349 179.2808 107 D 4.4854 8.6305 119.0179 57.2224 40.7054 178.7418 108 A 4.2007 8.3790 121.6061 55.1953 18.5807 179.3274 109 F 4.4667 8.9311 119.3909 61.6270 39.5095 177.2027 110 A 4.0652 8.5016 120.1106 55.2398 18.1514 179.4954 111 A 4.1974 8.7260 119.8074 55.1150 18.3367 180.1994 112 G 2.7418 7.9735 104.5549 47.4971 0.0000 176.0089 113 I 3.4540 7.2678 121.8562 64.2695 37.1744 177.9949 114 N 4.2470 8.1889 116.8553 56.5953 38.3269 177.3393 115 A 4.1169 8.2450 122.0933 55.2614 18.5338 179.0033 116 Y 2.3900 8.0047 117.9782 60.0916 38.4539 178.2100 117 A 3.8092 7.4906 120.5630 55.3390 18.6657 179.0631 118 Q 4.0306 7.8008 115.0730 59.3878 28.9518 179.1534 119 Q 4.2230 8.0835 117.0282 57.0033 30.2293 175.7899 120 N 4.8644 7.6022 117.5189 51.1206 39.1452 173.9755 121 P 4.3566 0.0000 0.0000 65.1908 32.1693 177.9316 122 D 4.4987 7.5261 117.0941 56.0753 39.8123 179.2592 123 D 4.6648 7.7086 119.4157 52.7951 40.0058 176.5981 124 I 4.3185 7.3410 119.3265 59.9831 41.3143 174.9883 125 S 4.1341 8.9561 121.1239 57.8194 63.0539 172.7761 126 P 4.2651 0.0000 0.0000 66.0336 31.1845 178.3984 127 D 4.5327 8.1581 115.4501 56.7444 40.9675 177.5042 128 V 4.5087 7.6673 110.5805 61.1193 32.1303 177.9350 129 R 3.9581 7.8946 122.0868 59.0364 29.9917 178.8849 130 Q 3.9331 7.8078 114.5303 58.3091 28.8276 177.8597 131 V 3.2554 7.7857 118.4496 66.7317 31.3119 179.4906 132 L 3.1423 7.0522 117.3680 56.3455 44.1055 173.9874 133 P 4.2445 0.0000 0.0000 63.1383 31.0296 176.5861 134 V 4.4922 8.1066 116.8262 59.8261 33.7899 175.4063 135 S 4.7525 9.9783 115.9910 55.4142 66.2476 175.1765 136 G 3.8181 8.7588 107.3466 48.3496 0.0000 175.6304 137 A 3.8032 6.6626 122.8072 54.8497 18.2995 179.3445 138 D 4.1852 7.9123 117.4273 57.3281 40.9081 179.2506 139 V 3.2383 7.3432 118.0671 65.9642 31.5988 178.0484 140 V 3.7502 8.0830 117.9474 66.0217 31.3200 177.8001 141 A 3.9603 8.4965 120.8866 55.3211 18.1405 179.1132 142 H 4.1621 8.3128 116.5130 59.3994 29.8018 177.1826 143 A 4.0321 7.7650 121.0111 55.6211 18.2853 178.7264 144 H 4.6048 8.3648 115.6499 59.4180 30.1714 177.1390 145 R 4.1776 8.4367 120.8856 59.3939 29.9660 178.0217 146 L 4.0926 8.4853 117.6082 57.1979 41.9308 177.7740 *148 N 4.5967 8.0255 115.4898 53.1565 40.4235 175.2639 149 F 5.7233 8.3244 115.5192 56.1558 39.5131 175.9788 150 L 4.6906 7.8077 118.9502 56.5842 45.7837 177.4067 151 Y 4.0845 7.8108 117.7087 61.0315 38.0877 178.3735 152 V 3.5984 7.5489 122.1978 64.8127 32.7963 177.3368 153 A 4.5946 8.5802 129.7712 50.4310 18.2359 175.7794 154 S 4.7442 8.0573 116.0838 56.9932 64.6949 174.6721 155 P 2.9700 0.0000 0.0000 65.3803 30.7394 179.0478 156 G 3.4265 7.6771 105.0018 47.3789 0.0000 175.9018 157 R 3.8922 7.4352 119.5457 59.4376 30.3205 178.8709 158 T 4.2006 7.7713 107.0220 63.8875 69.3157 175.8942 159 L 4.2786 8.0118 120.6095 54.7186 41.9393 177.2341 160 G 4.3253 7.2626 111.5946 46.6822 0.0000 173.5720 161 E 4.0459 7.3987 122.2675 55.4324 29.0127 177.0883 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 9 Q 8.34 4.24 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 10 A 8.38 3.98 1.29 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 0.00 0.00 11 P 0.00 4.55 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 12 I 8.00 3.94 1.89 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 0.62 0.92 0.00 0.00 13 A 8.68 3.84 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.45 4.22 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 15 Y 8.49 4.35 0.00 2.94 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 16 K 7.41 4.23 0.00 1.50 1.60 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.27 7.81 17 P 0.00 4.24 0.00 2.27 2.25 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.71 0.00 18 R 8.43 4.44 0.00 1.74 1.93 0.00 3.34 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 19 S 7.54 4.65 0.00 3.92 3.78 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 20 N 8.45 5.15 0.00 2.62 2.81 0.00 0.00 6.78 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 21 E 8.77 4.80 0.00 2.04 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 0.00 2.21 2.31 0.00 22 I 8.47 4.87 1.86 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 1.29 0.61 0.16 0.00 0.00 23 L 9.16 4.70 0.00 1.73 1.66 0.99 0.63 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 24 W 8.96 5.13 0.00 3.16 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 25 D 9.60 4.75 0.00 3.15 2.87 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 26 G 8.62 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 0.00 0.00 0.00 27 Y 8.16 4.37 0.00 3.06 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 28 G 8.12 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 29 V 8.01 4.48 2.42 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 0.79 0.00 0.00 1.04 0.00 0.00 30 P 0.00 4.41 0.00 1.27 0.49 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 31 H 8.78 4.45 0.00 3.33 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.78 4.45 1.62 0.00 0.00 0.71 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 0.24 0.91 0.00 0.00 33 Y 8.95 4.63 0.00 3.12 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 34 G 8.55 4.55 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 0.00 0.00 0.00 35 V 9.96 3.91 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 0.82 0.00 0.00 0.97 0.00 0.00 36 D 7.52 4.56 0.00 2.91 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 37 A 8.48 4.13 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 38 P 0.00 4.29 0.00 2.22 2.20 0.00 3.84 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 2.15 2.36 0.00 39 S 8.86 4.19 0.00 4.05 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 40 A 8.36 4.04 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 41 F 8.62 4.18 0.00 3.42 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 42 Y 8.38 4.48 0.00 3.26 3.23 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 43 G 8.78 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 44 Y 8.58 4.52 0.00 3.07 3.40 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 45 G 8.26 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.68 4.06 0.00 3.28 3.27 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 47 A 8.70 4.58 1.44 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 0.00 0.00 48 Q 8.20 3.92 0.00 1.90 2.07 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 2.35 2.32 0.00 49 A 7.61 3.81 0.93 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 0.00 0.00 50 R 7.11 2.79 0.00 1.20 2.15 0.00 3.34 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.44 0.00 51 S 8.04 4.42 0.00 3.93 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 52 H 8.63 4.83 0.00 3.08 3.15 0.00 5.85 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.75 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.00 4.31 0.00 2.62 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 55 N 7.99 4.30 0.00 2.68 2.80 0.00 0.00 7.09 7.32 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 56 I 7.53 3.43 1.70 0.00 0.00 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 1.36 0.76 0.09 0.00 0.00 57 L 7.69 3.88 0.00 1.81 1.71 0.84 0.80 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 58 R 7.94 3.74 0.00 1.66 1.83 0.00 2.75 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 59 L 8.29 4.06 0.00 1.94 1.69 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.58 4.50 0.00 3.05 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 61 G 8.74 4.23 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 0.00 62 E 8.73 4.26 0.00 2.48 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 0.00 2.83 2.91 0.00 63 A 8.17 4.16 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 64 R 7.72 4.26 0.00 1.80 1.93 0.00 3.39 0.00 0.00 3.29 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 65 G 7.94 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 66 K 7.80 4.15 0.00 1.45 0.74 0.00 1.32 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.38 0.83 7.81 67 G 7.90 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 68 A 8.10 4.25 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 69 E 7.66 3.75 0.00 1.77 1.56 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 2.10 2.27 0.00 70 Y 7.16 4.23 0.00 1.43 1.43 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 71 W 7.77 4.72 0.00 2.60 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 72 G 8.48 3.98 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 0.00 0.00 0.00 73 P 0.00 4.23 0.00 2.23 2.18 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 74 D 8.39 4.43 0.00 2.75 2.60 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 75 Y 8.56 4.55 0.00 3.39 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 76 E 8.45 4.04 0.00 2.18 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 2.34 2.38 0.00 77 Q 8.05 4.04 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 78 T 7.94 4.02 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 1.42 0.00 0.00 79 T 7.84 3.85 4.49 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 1.23 0.00 0.00 80 V 8.17 3.58 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 1.05 0.00 0.00 1.01 0.00 0.00 81 W 8.56 4.28 0.00 3.49 3.35 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 82 L 8.62 3.59 0.00 1.66 1.53 1.03 0.45 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 83 L 8.08 3.87 0.00 1.60 1.61 0.86 0.85 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 T 7.55 3.81 4.12 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 1.15 0.00 0.00 85 N 7.18 4.49 0.00 1.57 1.92 0.00 0.00 7.15 7.99 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 86 G 8.17 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 87 V 7.48 3.21 1.79 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 0.75 0.00 0.00 -0.18 0.00 0.00 88 P 0.00 4.12 0.00 1.96 2.12 0.00 3.56 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.19 0.00 89 E 7.91 4.00 0.00 1.96 1.85 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 2.32 2.32 0.00 90 R 8.07 3.78 0.00 1.77 1.53 0.00 3.09 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 91 A 7.90 4.01 1.36 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 0.00 0.00 0.00 92 Q 7.94 4.06 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 93 Q 7.87 4.01 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 94 W 8.40 4.68 0.00 3.14 3.27 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 95 Y 8.25 4.33 0.00 3.22 3.22 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 96 A 7.97 3.90 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 97 Q 8.41 4.19 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 98 Q 7.00 4.26 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 99 S 8.28 4.43 0.00 4.06 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 0.00 100 P 0.00 4.24 0.00 2.16 2.12 0.00 3.60 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 2.12 0.00 101 D 8.11 4.36 0.00 2.90 2.96 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 0.00 102 F 7.78 3.84 0.00 3.09 3.08 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 0.00 103 R 8.55 3.74 0.00 1.89 1.81 0.00 2.92 0.00 0.00 2.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.18 0.00 104 A 7.85 4.13 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 0.00 105 N 7.25 3.96 0.00 1.44 1.42 0.00 0.00 6.93 6.62 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 0.00 106 L 7.46 3.90 0.00 1.81 1.82 1.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.63 4.49 0.00 2.73 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 0.00 108 A 8.38 4.20 1.66 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 0.00 0.00 109 F 8.93 4.47 0.00 3.48 3.40 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 0.00 110 A 8.50 4.07 1.52 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 0.00 111 A 8.73 4.20 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 2.74 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 0.00 0.00 0.00 113 I 7.27 3.45 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.23 0.79 0.00 0.00 114 N 8.19 4.25 0.00 2.99 2.92 0.00 0.00 7.01 6.59 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 0.00 115 A 8.25 4.12 1.70 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 0.00 116 Y 8.00 2.39 0.00 2.18 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.49 3.81 1.29 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 0.00 0.00 118 Q 7.80 4.03 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 119 Q 8.08 4.22 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.36 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 120 N 7.60 4.86 0.00 1.71 2.23 0.00 0.00 6.57 7.50 0.00 0.00 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 P 0.00 4.36 0.00 2.12 2.12 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 122 D 7.53 4.50 0.00 2.82 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 0.00 123 D 7.71 4.66 0.00 2.66 2.77 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 0.00 124 I 7.34 4.32 1.98 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 1.31 0.32 0.87 0.00 0.00 125 S 8.96 4.13 0.00 4.01 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 0.00 126 P 0.00 4.27 0.00 2.21 2.10 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 127 D 8.16 4.53 0.00 2.66 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 0.00 128 V 7.67 4.51 2.14 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 0.98 0.00 0.00 0.96 0.00 0.00 129 R 7.89 3.96 0.00 1.93 1.92 0.00 3.10 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 130 Q 7.81 3.93 0.00 1.75 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.08 0.00 0.00 0.00 0.00 0.00 2.19 1.50 0.00 131 V 7.79 3.26 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 0.93 0.00 0.00 1.01 0.00 0.00 132 L 7.05 3.14 0.00 1.89 1.69 0.90 1.44 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 0.00 133 P 0.00 4.24 0.00 2.09 2.04 0.00 3.86 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 2.03 2.10 0.00 134 V 8.11 4.49 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 0.99 0.00 0.00 1.04 0.00 0.00 135 S 9.98 4.75 0.00 3.60 3.84 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 0.00 136 G 8.76 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 0.00 137 A 6.66 3.80 1.03 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 0.00 0.00 138 D 7.91 4.19 0.00 2.64 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 0.00 0.00 0.00 0.00 139 V 7.34 3.24 2.37 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 1.11 0.00 0.00 1.23 0.00 0.00 140 V 8.08 3.75 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 1.36 0.00 0.00 1.21 0.00 0.00 141 A 8.50 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.31 4.16 0.00 3.28 3.41 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.77 4.03 1.55 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 0.00 0.00 144 H 8.36 4.60 0.00 3.16 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.44 4.18 0.00 1.93 2.15 0.00 3.29 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 1.78 1.76 0.00 146 L 8.49 4.09 0.00 1.79 1.92 0.94 0.98 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 *148 N 8.03 4.60 0.00 2.98 2.46 0.00 0.00 6.87 8.13 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 0.00 149 F 8.32 5.72 0.00 3.10 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 0.00 150 L 7.81 4.69 0.00 1.85 1.39 1.02 0.94 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 0.00 151 Y 7.81 4.08 0.00 3.18 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 0.00 152 V 7.55 3.60 2.18 0.00 0.00 0.00 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 0.97 0.00 0.00 153 A 8.58 4.59 1.16 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 0.00 0.00 154 S 8.06 4.74 0.00 3.92 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 0.00 155 P 0.00 2.97 0.00 1.37 0.49 0.00 3.44 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 156 G 7.68 3.43 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 0.00 0.00 0.00 157 R 7.44 3.89 0.00 1.82 2.01 0.00 3.18 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 158 T 7.77 4.20 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 1.53 0.00 0.00 159 L 8.01 4.28 0.00 1.79 1.60 1.00 1.17 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 0.00 160 G 7.26 4.33 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 0.00 161 E 7.40 4.05 0.00 1.90 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 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.