NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.4073 8.0333 112.9239 59.7816 70.7017 174.6381 6 P 4.2011 0.0000 0.0000 66.2244 31.3831 178.2279 7 D 4.4029 8.8108 120.7931 58.4726 40.1509 180.1034 8 T 4.0515 7.7547 116.3590 66.6686 68.5908 176.2639 9 D 4.4964 8.3457 121.1644 57.7241 40.9440 179.3600 10 V 3.4324 7.7626 120.7154 66.4550 31.4656 178.6113 11 E 3.9371 7.9463 118.0776 61.1864 29.5077 181.4876 12 Q 4.2295 8.3595 119.4250 58.3789 28.7765 178.8785 13 V 2.8018 7.5748 119.9191 65.2927 31.4254 178.3356 14 G 3.4619 7.7639 105.5588 47.6664 0.0000 175.7198 15 L 4.0209 7.7822 120.9579 57.2633 41.6374 179.3532 16 A 3.9605 7.4103 120.9997 54.7704 18.0348 179.2618 17 N 4.4497 7.6771 115.6713 57.1605 39.0844 177.2372 18 T 3.9610 8.0170 116.9374 66.6284 68.4838 176.3076 19 A 3.9639 7.9702 122.5999 55.0883 18.1696 179.1576 20 F 4.0452 7.6868 117.3985 62.0251 39.4112 176.7785 21 Y 3.3104 7.0902 114.3900 60.5370 37.9230 177.6328 22 E 4.2789 8.6842 119.8710 58.9646 29.3534 179.1038 23 A 3.9244 7.9025 118.8743 52.7834 18.0630 178.9531 *25 E 4.3710 8.3879 121.7028 57.5198 31.3647 177.1379 26 R 4.3826 7.9886 112.1351 55.1364 29.7167 176.1826 27 G 3.8737 7.9642 105.3247 47.0803 0.0000 174.3637 28 D 4.6623 8.1790 121.9273 52.6053 40.1190 176.3296 29 F 4.3327 8.5713 128.1510 60.6690 39.3961 176.4470 30 E 3.7880 8.1783 117.1994 59.5312 29.6782 178.9221 31 T 3.9321 8.0552 115.6460 66.5553 68.6600 176.0677 32 L 3.9158 7.6864 122.1296 58.7308 41.8527 179.3538 33 S 4.0208 7.9875 115.2668 61.4721 62.4591 176.7634 34 S 4.1799 7.8301 115.6557 60.6641 63.0791 175.7698 35 L 4.1789 7.7800 121.8949 55.0359 41.6927 176.1900 36 W 4.8479 7.0938 118.8560 55.0488 30.4188 176.3543 37 L 4.3255 9.1542 126.1491 55.4885 42.4480 176.2522 38 T 4.7276 8.5328 113.8102 58.7993 71.6502 173.1777 39 P 4.2528 0.0000 0.0000 65.8421 31.3531 178.8076 40 A 3.9635 7.6532 118.3754 55.1332 18.0067 179.3296 41 D 4.3144 8.2516 117.0523 56.8422 40.8758 178.0430 42 L 4.3664 7.7076 117.4501 54.4225 42.3751 177.3897 43 G 3.9028 7.5717 106.3754 45.3587 0.0000 175.2645 44 V 3.7610 7.4023 120.4048 61.6870 32.5150 173.3551 *51 P 4.3990 0.0000 0.0000 62.1737 32.9827 177.0762 52 A 4.6572 7.8372 118.6667 50.9808 19.5601 175.7281 53 D 4.5094 8.3235 115.9522 55.4037 38.6683 173.5702 54 A 3.9510 7.1540 121.1097 54.8204 18.4389 178.9573 55 G 3.6086 8.6028 111.9079 45.0900 0.0000 173.5391 56 V 3.7129 7.4840 120.2187 63.2516 32.1215 175.6130 57 V 5.1824 8.3486 120.0456 60.5018 34.6859 174.5406 58 S 5.1031 8.8618 115.7715 58.0287 67.2503 172.5024 59 C 5.2415 8.9538 119.4796 58.3803 35.4112 172.5133 60 V 4.5870 9.0473 126.4391 61.4239 33.5688 174.5089 61 H 4.8307 8.4369 124.9384 54.0296 30.6176 173.0949 62 P 4.5296 0.0000 0.0000 63.9089 31.1574 177.1015 63 G 4.0614 9.1285 111.4839 45.3175 0.0000 172.8202 64 W 4.6015 8.3828 119.7981 54.6635 30.3798 174.8952 65 P 4.6300 0.0000 0.0000 62.1612 32.4471 175.2523 66 V 4.0397 8.1636 117.9999 62.7117 32.4155 175.5077 67 L 5.0345 8.7437 127.4046 53.2049 44.0780 175.5763 68 S 4.9902 8.9170 119.0698 57.8506 66.1669 175.2067 69 G 4.1458 9.4919 109.0073 46.0606 0.0000 174.7699 70 R 3.9359 8.4652 118.8893 58.7012 29.9421 179.9167 71 G 3.5246 7.9100 105.2950 47.8499 0.0000 175.6436 72 E 3.9796 8.0233 121.1865 58.8331 29.4922 179.4486 73 V 3.3960 7.6762 118.1527 66.1442 31.6254 178.2165 74 L 4.1725 8.2412 118.9833 57.4845 41.4325 179.3920 75 R 3.9055 8.0554 119.2550 59.5407 29.9375 178.7831 76 S 4.1738 8.0439 113.9049 61.6848 62.7677 176.0770 77 Y 3.8884 7.7254 119.1284 60.5229 37.7024 177.6826 78 A 3.9461 8.1188 121.2864 54.7578 18.7151 179.2301 79 L 4.0605 7.9344 118.7775 58.3577 42.3653 179.6089 80 I 3.4329 7.7233 116.3313 62.6308 36.9843 177.4765 *82 A 4.3739 7.9040 123.5984 51.8064 20.1314 177.8335 83 N 4.7964 7.9261 110.8625 53.3032 39.4134 174.8465 84 T 4.6012 7.4577 117.0276 62.3387 70.6767 174.6606 85 E 4.4011 8.8998 124.2591 59.0317 31.0704 173.3812 86 Y 4.7572 8.5247 120.4841 56.5774 42.4129 173.7735 87 I 4.8330 7.7712 125.8318 59.4326 41.9395 173.3510 88 Q 4.7088 8.9642 127.7845 54.0418 32.4046 174.0847 89 F 4.7817 9.4824 122.8620 55.8114 41.1679 175.5365 90 F 4.6310 9.1287 122.7460 55.8146 40.6798 174.0957 91 L 5.0871 8.3915 124.1307 53.7486 43.0026 176.2076 92 T 4.6429 8.5381 112.6594 59.3277 73.2591 172.8778 93 D 4.4489 8.5473 117.4936 55.1796 38.5364 174.0284 94 V 4.0495 7.7809 117.8477 63.0377 32.5061 174.6112 95 H 4.9645 9.6107 128.0561 54.2741 32.8810 172.0332 96 V 4.6111 8.1857 124.8641 61.0292 33.7757 174.4307 97 S 4.5203 9.2252 122.2756 56.5287 65.2046 172.4485 98 V 4.6249 8.4450 127.4475 61.4760 33.2695 175.0381 99 T 4.5449 8.8027 124.9148 62.4006 71.9054 175.2008 100 G 3.8539 8.5652 118.2632 47.2401 0.0000 173.0967 101 D 4.9228 8.9938 123.7806 53.7606 41.1850 174.8246 102 T 5.5763 8.2149 115.9685 61.8707 72.4419 172.9016 103 A 5.1437 9.6240 126.6415 50.0098 23.0006 174.5044 104 L 5.0640 9.2675 123.7084 53.2829 44.8103 175.1667 105 V 4.9980 9.1442 127.2072 61.2608 34.2071 174.2103 106 T 5.3713 8.7691 118.2072 60.3749 71.6577 172.8341 107 C 5.2689 8.7600 117.0258 58.2256 33.8861 172.6973 108 T 4.7043 8.8157 117.5704 63.0272 69.6757 174.0812 109 E 4.6113 9.1255 127.4642 55.3497 30.7234 175.5696 110 N 5.0397 8.8825 124.2929 52.2798 39.3090 174.0166 111 I 4.6420 8.5636 125.4116 59.3544 39.7774 174.8990 112 L 5.3190 8.7827 126.6863 52.9985 44.4900 175.8151 113 S 5.2205 9.3232 118.0321 56.6299 67.4280 173.3587 114 G 4.2783 9.5855 107.7507 44.8265 0.0000 173.2434 115 G 3.9439 8.9979 114.1423 45.5612 0.0000 173.0951 *125 G 3.6712 7.7912 108.3187 44.2558 0.0000 171.2125 126 P 4.1175 0.0000 0.0000 63.1265 31.8764 175.5092 127 L 4.7361 8.4176 122.2269 54.2361 42.4785 176.4284 128 V 4.4421 8.9475 118.0959 59.4225 34.5925 175.1147 129 G 4.3523 8.6625 111.6861 45.0320 0.0000 172.8862 130 Q 4.7733 9.0582 121.9283 53.6648 33.1444 174.1870 131 L 4.8337 8.4925 125.1296 53.7145 43.7549 175.1251 132 V 4.9612 8.7137 125.8693 61.2468 35.5349 174.4039 133 V 5.0997 9.0325 118.7092 59.6321 35.1743 174.5934 134 A 5.2486 9.2976 124.6191 50.6211 23.2168 175.1010 135 T 5.0321 8.9339 117.2412 61.9699 71.4520 172.9070 136 N 5.1953 9.5552 124.7608 51.2695 41.6245 173.8795 137 V 4.7859 8.4180 123.8523 61.1754 33.9230 174.3612 138 F 5.4761 9.6451 126.5154 55.7645 42.4365 174.4214 139 R 5.2648 9.5532 121.8593 54.5591 33.3547 174.3062 140 R 3.6065 8.4002 126.4581 55.6009 30.7823 175.6674 141 T 4.6019 7.7617 114.2574 58.9797 72.1137 173.1463 142 P 4.2290 0.0000 0.0000 66.0054 31.4198 177.8268 143 D 4.5816 7.5449 115.6562 52.8707 39.2885 179.7073 144 G 3.8415 8.0876 107.0775 44.8784 0.0000 173.4522 145 W 4.5988 8.4193 118.8234 56.6237 29.4969 176.1320 146 K 4.9628 9.3464 122.7038 54.2041 35.5472 175.5943 147 L 3.5845 8.5615 124.3824 54.6433 42.0418 177.3290 148 W 4.8125 9.2400 133.7395 58.7656 33.1974 175.6814 149 S 5.7877 7.4526 112.4583 57.2895 65.8424 172.2809 150 H 5.3447 9.1796 125.7013 54.6580 32.8238 171.3240 151 H 5.2658 9.2479 125.4128 54.3729 32.7234 171.8259 152 A 5.4481 9.1036 127.9921 50.2792 22.3022 174.7498 153 S 4.9839 9.0929 115.2649 55.9585 66.9157 171.8384 154 P 4.8288 0.0000 0.0000 63.0235 32.2122 176.0106 155 V 4.1027 8.1679 122.7325 61.9338 31.7879 174.9724 156 L 4.5989 8.4696 128.0541 53.0127 43.4464 176.7731 157 A 4.2832 8.5055 124.6090 52.3594 18.9925 176.8735 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 5 T 8.03 4.41 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 1.21 0.00 0.00 6 P 0.00 4.20 0.00 2.23 2.13 0.00 3.57 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 2.12 2.22 0.00 7 D 8.81 4.40 0.00 2.68 2.67 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 8 T 7.75 4.05 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 1.24 0.00 0.00 9 D 8.35 4.50 0.00 2.90 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 10 V 7.76 3.43 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 0.89 0.00 0.00 0.85 0.00 0.00 11 E 7.95 3.94 0.00 2.05 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 2.24 2.22 0.00 12 Q 8.36 4.23 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 13 V 7.57 2.80 1.65 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 0.34 0.00 0.00 -0.87 0.00 0.00 14 G 7.76 3.46 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 0.00 0.00 0.00 0.00 15 L 7.78 4.02 0.00 1.65 1.68 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.41 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.68 4.45 0.00 2.85 2.97 0.00 0.00 7.15 7.21 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 18 T 8.02 3.96 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 1.22 0.00 0.00 19 A 7.97 3.96 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 20 F 7.69 4.05 0.00 2.67 3.06 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 0.00 0.00 0.00 21 Y 7.09 3.31 0.00 2.87 2.46 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 0.00 22 E 8.68 4.28 0.00 2.06 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 2.56 0.00 23 A 7.90 3.92 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 *25 E 8.39 4.37 0.00 2.15 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 2.45 2.61 0.00 26 R 7.99 4.38 0.00 1.95 2.02 0.00 3.20 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 27 G 7.96 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 0.00 0.00 0.00 28 D 8.18 4.66 0.00 2.69 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 29 F 8.57 4.33 0.00 3.22 3.10 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 30 E 8.18 3.79 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 31 T 8.06 3.93 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 1.19 0.00 0.00 32 L 7.69 3.92 0.00 1.77 1.71 0.73 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.99 4.02 0.00 3.68 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.83 4.18 0.00 4.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.78 4.18 0.00 1.80 1.58 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 W 7.09 4.85 0.00 3.17 3.10 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 37 L 9.15 4.33 0.00 1.87 1.61 0.83 0.49 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 38 T 8.53 4.73 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 1.22 0.00 0.00 39 P 0.00 4.25 0.00 2.15 2.12 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 40 A 7.65 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.25 4.31 0.00 2.85 2.67 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 42 L 7.71 4.37 0.00 1.73 1.60 0.81 0.78 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 43 G 7.57 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 44 V 7.40 3.76 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 0.77 0.00 0.00 0.88 0.00 0.00 *51 P 0.00 4.40 0.00 2.11 2.14 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 52 A 7.84 4.66 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 53 D 8.32 4.51 0.00 2.88 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 54 A 7.15 3.95 1.20 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 55 G 8.60 3.61 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 0.00 0.00 0.00 56 V 7.48 3.71 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 0.88 0.00 0.00 1.01 0.00 0.00 57 V 8.35 5.18 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 1.04 0.00 0.00 0.88 0.00 0.00 58 S 8.86 5.10 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 59 C 8.95 5.24 0.00 3.01 2.66 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 60 V 9.05 4.59 1.62 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 1.04 0.00 0.00 0.74 0.00 0.00 61 H 8.44 4.83 0.00 1.74 2.48 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.53 0.00 2.13 2.12 0.00 3.73 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 63 G 9.13 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.38 4.60 0.00 3.39 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 65 P 0.00 4.63 0.00 2.21 2.11 0.00 3.88 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 66 V 8.16 4.04 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 0.81 0.00 0.00 0.94 0.00 0.00 67 L 8.74 5.03 0.00 1.69 1.53 0.88 0.77 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 68 S 8.92 4.99 0.00 3.75 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 69 G 9.49 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.47 3.94 0.00 1.85 1.97 0.00 3.28 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 71 G 7.91 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 72 E 8.02 3.98 0.00 2.19 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 2.42 2.37 0.00 73 V 7.68 3.40 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 -0.01 0.00 0.00 0.78 0.00 0.00 74 L 8.24 4.17 0.00 1.89 2.00 0.86 0.55 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 75 R 8.06 3.91 0.00 2.11 2.11 0.00 3.10 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 76 S 8.04 4.17 0.00 3.95 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 77 Y 7.73 3.89 0.00 3.21 3.33 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 78 A 8.12 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.93 4.06 0.00 1.87 1.88 0.93 0.94 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 80 I 7.72 3.43 1.96 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.48 0.90 0.00 0.00 *82 A 7.90 4.37 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 83 N 7.93 4.80 0.00 2.91 2.88 0.00 0.00 6.80 7.52 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 84 T 7.46 4.60 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 1.28 0.00 0.00 85 E 8.90 4.40 0.00 1.75 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 2.21 1.87 0.00 86 Y 8.52 4.76 0.00 3.02 2.82 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 87 I 7.77 4.83 1.79 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 0.98 0.91 0.93 0.00 0.00 88 Q 8.96 4.71 0.00 1.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.56 0.00 0.00 0.00 0.00 0.00 1.65 2.50 0.00 89 F 9.48 4.78 0.00 2.53 2.66 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 90 F 9.13 4.63 0.00 3.11 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 91 L 8.39 5.09 0.00 1.46 1.51 0.69 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.54 4.64 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 1.24 0.00 0.00 93 D 8.55 4.45 0.00 2.85 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 94 V 7.78 4.05 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 0.73 0.00 0.00 0.94 0.00 0.00 95 H 9.61 4.96 0.00 3.13 3.09 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.19 4.61 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 0.60 0.00 0.00 0.80 0.00 0.00 97 S 9.23 4.52 0.00 3.84 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.44 4.62 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 0.96 0.00 0.00 0.69 0.00 0.00 99 T 8.80 4.54 4.31 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 1.25 0.00 0.00 100 G 8.57 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 0.00 101 D 8.99 4.92 0.00 2.69 2.55 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 0.00 102 T 8.21 5.58 4.42 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 1.53 0.00 0.00 103 A 9.62 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.27 5.06 0.00 1.73 1.52 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.14 5.00 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 1.05 0.00 0.00 0.92 0.00 0.00 106 T 8.77 5.37 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 1.25 0.00 0.00 107 C 8.76 5.27 0.00 3.14 3.06 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 0.00 0.00 0.00 108 T 8.82 4.70 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 1.38 0.00 0.00 109 E 9.13 4.61 0.00 2.07 2.15 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 2.26 2.42 0.00 110 N 8.88 5.04 0.00 2.96 2.82 0.00 0.00 6.63 6.96 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 0.00 111 I 8.56 4.64 1.74 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 0.92 0.93 0.33 0.00 0.00 112 L 8.78 5.32 0.00 1.76 1.67 0.93 0.55 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 0.00 113 S 9.32 5.22 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 9.59 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 0.00 115 G 9.00 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 0.00 0.00 0.00 *125 G 7.79 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 0.00 0.00 0.00 126 P 0.00 4.12 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 127 L 8.42 4.74 0.00 1.55 1.66 1.00 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 0.00 128 V 8.95 4.44 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 0.75 0.00 0.00 1.00 0.00 0.00 129 G 8.66 4.35 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 0.00 130 Q 9.06 4.77 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 131 L 8.49 4.83 0.00 1.77 1.56 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.71 4.96 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 1.14 0.00 0.00 0.99 0.00 0.00 133 V 9.03 5.10 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 0.68 0.00 0.00 0.96 0.00 0.00 134 A 9.30 5.25 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 0.00 135 T 8.93 5.03 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 1.19 0.00 0.00 136 N 9.56 5.20 0.00 2.63 2.21 0.00 0.00 6.04 7.84 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 0.00 137 V 8.42 4.79 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 1.00 0.00 0.00 0.78 0.00 0.00 138 F 9.65 5.48 0.00 3.06 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 0.00 139 R 9.55 5.26 0.00 1.86 1.67 0.00 3.23 0.00 0.00 2.62 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.42 0.00 140 R 8.40 3.61 0.00 0.67 1.32 0.00 3.13 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 141 T 7.76 4.60 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 1.08 0.00 0.00 142 P 0.00 4.23 0.00 1.99 2.08 0.00 3.57 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 1.95 1.99 0.00 143 D 7.54 4.58 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.09 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 0.00 0.00 0.00 145 W 8.42 4.60 0.00 3.13 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 0.00 146 K 9.35 4.96 0.00 1.58 1.72 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.48 7.81 147 L 8.56 3.58 0.00 0.35 0.13 -1.65 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 148 W 9.24 4.81 0.00 3.30 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 0.00 149 S 7.45 5.79 0.00 3.67 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 0.00 150 H 9.18 5.34 0.00 2.99 3.46 0.00 5.66 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 0.00 151 H 9.25 5.27 0.00 3.19 3.05 0.00 5.59 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 0.00 152 A 9.10 5.45 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 0.00 153 S 9.09 4.98 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.83 0.00 2.14 2.14 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 155 V 8.17 4.10 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 0.79 0.00 0.00 0.96 0.00 0.00 156 L 8.47 4.60 0.00 1.68 1.58 0.95 0.87 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 0.00 157 A 8.51 4.28 1.23 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 * Residues marked with a * may have inaccurate shift predictions.