NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4221 8.1233 123.5067 51.4234 20.0689 177.4268 2 L 4.1446 8.9344 120.4393 56.5276 41.2246 179.3671 3 F 4.3820 9.0730 115.6493 60.0047 38.4258 177.1894 4 Q 3.7293 7.0682 118.3414 58.1617 28.3652 178.2250 5 F 4.3966 8.1354 121.4645 61.4807 39.5419 176.6175 6 R 3.8095 7.7849 118.4387 60.0417 29.8415 178.4854 7 S 4.2552 7.8063 114.1457 61.5577 62.9603 176.3102 8 M 4.1516 7.9748 120.9928 58.5562 31.9079 178.3642 9 I 3.7721 7.8940 120.1164 64.1164 37.0447 178.5750 10 K 4.1893 7.6596 119.1253 59.3669 31.8992 178.4361 11 C 4.2788 8.1538 118.3460 59.8284 43.4347 175.5517 12 A 4.2831 7.8232 120.8051 53.8143 19.4041 177.6309 13 I 4.5078 8.0577 118.9063 57.8759 37.6541 173.8238 14 P 4.4947 0.0000 0.0000 64.3443 31.5693 177.3766 15 G 4.0488 7.9248 104.9020 45.2728 0.0000 173.3427 16 S 4.7426 7.6992 113.8804 56.9499 65.2272 173.8635 17 H 4.8655 8.4579 118.1018 52.7422 28.8023 172.7307 18 P 4.4105 0.0000 0.0000 65.7257 31.6588 177.7557 19 L 4.0423 7.9400 117.1277 58.0341 41.3841 179.3213 20 M 4.0775 7.8487 117.2614 58.0483 32.1719 178.1378 21 D 4.2078 8.3088 118.4019 57.0915 41.2032 178.2917 22 F 4.5604 7.6004 115.9144 57.9898 39.7599 176.1873 23 N 4.5709 7.2727 116.1695 54.2705 40.1357 174.1129 24 N 4.2691 8.9142 119.3144 54.7272 36.1654 173.5180 25 Y 4.7862 7.6865 118.4337 56.5894 42.6125 176.0779 26 G 4.1089 7.6012 115.8682 45.8669 0.0000 172.1313 27 C 4.4460 9.0931 113.9969 58.0728 41.0846 174.8159 28 Y 4.1526 8.0632 115.7828 58.7646 39.1885 175.4085 29 C 4.5179 8.5244 118.7789 58.6023 40.2249 172.4785 30 G 3.9047 9.2599 110.2636 43.2895 0.0000 172.2202 31 W 4.3074 8.8115 128.7015 60.0296 30.5322 175.7397 32 G 3.5071 8.3528 113.7465 44.9380 0.0000 171.2254 33 G 4.6441 7.2675 112.7264 45.5967 0.0000 171.9327 34 S 4.4278 7.0671 115.9572 57.9551 66.2546 175.8585 35 G 3.9267 8.7039 107.4454 46.0278 0.0000 172.8300 36 T 4.7207 8.2124 118.7430 60.7943 70.7398 172.4257 37 P 4.7533 0.0000 0.0000 62.6161 31.8930 177.9870 38 V 3.7380 9.0337 117.7799 64.3762 32.0846 175.7050 39 D 4.5622 7.2937 117.6238 52.1763 42.4197 175.6161 40 E 3.9999 8.9271 116.7002 59.9607 29.5879 178.6796 41 L 3.9781 8.0409 119.9053 58.2603 42.2723 178.1824 42 D 4.5652 8.6800 117.9700 57.7251 41.1018 178.5892 43 R 4.1086 7.9405 118.5566 59.0439 29.5469 178.3299 44 C 4.2845 8.0112 116.1798 60.1971 41.2032 175.3686 45 C 4.4909 8.3033 117.8488 60.2709 40.2948 175.6604 46 E 3.5035 8.6890 121.0417 59.7696 29.0407 179.0673 47 T 3.9291 7.9188 115.2848 66.0658 68.4438 176.4131 48 H 4.0270 7.7080 119.5201 59.0183 29.9876 176.4834 49 D 4.3772 8.1485 120.8468 58.0015 40.8038 179.0858 50 N 4.4027 8.2319 116.3624 56.2419 38.3279 176.7840 51 C 4.3654 8.0220 119.9696 59.9877 37.9224 175.2489 52 Y 4.2620 8.5377 118.7278 61.1218 37.1796 178.5550 53 R 3.9256 7.9778 118.7711 59.6431 30.2861 178.1232 54 D 4.4301 8.1741 117.3835 56.9829 41.0248 178.2887 55 A 3.2949 7.5856 121.6970 54.1421 19.4506 178.1515 56 K 4.1064 7.2596 116.5220 55.2038 28.3009 176.6901 57 N 4.6746 7.2893 112.7233 53.4157 45.4075 174.8207 58 L 4.3716 7.8990 120.5800 52.5498 43.0362 176.1113 59 S 4.1377 8.5555 119.7559 59.9257 62.9034 174.3144 60 G 3.5203 8.4116 114.4523 46.6582 0.0000 173.6529 61 C 4.1294 7.1594 120.4829 54.4255 40.9607 172.5056 *67 Y 4.7877 8.0127 124.5451 57.2052 37.9541 174.3105 68 P 3.9342 0.0000 0.0000 65.4535 31.7964 178.9249 69 Y 4.3717 7.5856 115.7681 60.5489 37.9204 177.4307 70 T 4.5208 7.3756 104.0081 61.0361 69.3122 173.2601 71 E 4.3271 7.8592 123.9508 55.4259 29.6652 175.7737 72 S 4.3829 8.5782 123.4062 57.8338 63.8377 173.0516 73 Y 4.8951 7.9020 122.5054 55.0942 40.9553 174.0773 74 S 5.0852 8.6886 114.0578 56.9155 64.2676 172.3676 75 Y 5.5510 8.4440 123.9586 56.0483 41.2317 173.5535 76 S 4.4352 9.7011 114.1439 56.9276 67.3716 172.2803 77 C 5.4326 8.6186 119.8264 53.5482 44.5803 174.3676 78 S 4.3702 8.2407 126.7716 57.9933 61.6112 173.7947 79 N 3.8390 8.8205 117.3039 54.6427 36.8286 176.5597 80 T 4.1044 8.4850 111.0014 61.9064 69.1938 171.6430 81 E 4.5064 8.1039 122.7170 54.8170 30.5176 174.5178 82 I 4.9122 8.2279 124.9339 60.1917 39.1073 175.3544 83 T 4.6293 9.1113 123.0953 61.9758 72.0215 172.1712 84 C 4.8981 8.7649 124.0832 55.2037 42.8631 173.0834 85 N 4.4853 8.9878 123.8528 53.9974 39.1150 175.7063 86 S 4.3219 9.0286 120.2797 59.9814 63.1837 174.6277 87 K 4.4253 8.3399 120.2699 56.2717 32.2958 176.5135 88 N 4.5415 8.0091 117.6714 52.8067 39.1577 175.2568 89 N 4.6115 9.6943 120.0504 52.2487 39.5132 176.0141 90 A 3.9924 8.6103 122.4514 55.8159 18.3375 180.5271 91 C 4.1712 8.1631 115.9632 59.9861 41.7045 175.4678 92 E 3.9855 9.1642 120.3688 59.1681 28.9952 179.2846 93 A 3.8849 8.5228 121.3436 55.0935 18.5230 179.0952 94 F 3.7729 8.1718 119.1131 61.8343 39.5513 177.4172 95 I 3.8560 7.9117 118.8369 64.5212 36.8229 177.7351 96 C 3.2765 7.9504 119.4209 59.1735 43.2931 175.3795 97 N 4.0704 7.9474 118.0836 56.4557 38.1043 176.5511 98 C 4.0284 7.8941 117.8028 60.1767 41.3299 176.1744 99 D 3.6887 7.6988 119.6984 57.0258 40.5096 178.6836 100 R 3.7531 8.0115 119.5513 59.4266 30.0300 178.1507 101 N 4.1219 8.1755 116.1029 56.3648 38.5042 177.0255 102 A 3.5650 7.6490 121.7006 55.0958 18.3986 179.4746 103 A 3.5663 7.8739 119.0344 55.3129 18.2140 180.0193 104 I 3.6417 7.2813 117.0233 64.3532 37.5339 177.5038 105 C 4.3438 8.1168 119.3987 59.8961 42.2956 175.6553 106 F 4.2825 8.0422 119.7610 60.6167 38.2217 177.6213 107 S 4.4167 7.9328 112.0486 60.0394 62.9000 174.9397 108 K 4.4769 7.8011 119.8438 55.8303 32.6579 175.4177 109 A 4.8768 7.4582 121.3578 49.1314 21.3526 175.2095 110 P 4.3855 0.0000 0.0000 62.9238 31.9534 175.7666 111 Y 4.3330 8.4166 121.1694 55.9177 39.3993 174.6608 112 N 4.6649 8.5506 126.2673 51.6606 38.7920 176.5453 113 K 3.9199 8.8460 125.6604 59.4445 32.3852 178.3417 114 E 3.9584 7.9823 116.6599 58.6440 29.7263 177.0420 115 H 4.3743 7.8300 115.2953 55.5094 29.4692 175.0295 116 K 3.9925 7.2117 121.6227 57.4198 32.6515 176.2008 117 N 4.2073 9.0959 123.6215 53.8385 36.7049 174.5727 118 L 3.9440 7.5789 117.5110 55.2635 43.1550 177.0496 119 D 4.6500 8.6373 123.8549 53.5019 40.3528 176.7215 120 T 3.8844 8.2189 117.3185 64.4729 68.7645 176.1734 121 K 4.0931 7.7034 118.2942 57.7514 32.1014 177.3437 122 K 4.2960 7.8043 117.2750 55.9261 33.8616 175.4966 123 Y 4.7367 7.9242 113.3112 58.0229 39.3635 174.9456 124 C 4.4549 8.1027 122.8639 57.1219 41.3812 173.3623 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 A 8.12 4.42 1.14 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 0.00 0.00 2 L 8.93 4.14 0.00 2.06 1.96 1.46 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.07 4.38 0.00 3.30 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 4 Q 7.07 3.73 0.00 1.61 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 5 F 8.14 4.40 0.00 3.22 3.26 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 6 R 7.78 3.81 0.00 1.94 2.02 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 7 S 7.81 4.26 0.00 4.30 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 7.97 4.15 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 9 I 7.89 3.77 1.98 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.32 1.06 0.00 0.00 10 K 7.66 4.19 0.00 2.17 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.63 7.81 11 C 8.15 4.28 0.00 3.15 3.37 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 12 A 7.82 4.28 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 13 I 8.06 4.51 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.15 0.98 0.00 0.00 14 P 0.00 4.49 0.00 2.04 2.16 0.00 3.73 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 15 G 7.92 4.05 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 0.00 0.00 0.00 16 S 7.70 4.74 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.46 4.87 0.00 3.08 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.41 0.00 2.20 2.25 0.00 3.63 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 2.30 2.32 0.00 19 L 7.94 4.04 0.00 1.71 1.74 0.96 1.01 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 20 M 7.85 4.08 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 21 D 8.31 4.21 0.00 1.58 1.54 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 22 F 7.60 4.56 0.00 3.06 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 23 N 7.27 4.57 0.00 2.94 2.88 0.00 0.00 7.26 7.67 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 24 N 8.91 4.27 0.00 3.11 2.87 0.00 0.00 6.42 7.48 0.00 0.00 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 Y 7.69 4.79 0.00 2.95 2.86 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 26 G 7.60 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.09 4.45 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 28 Y 8.06 4.15 0.00 3.43 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 29 C 8.52 4.52 0.00 3.36 3.34 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 0.00 30 G 9.26 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 31 W 8.81 4.31 0.00 3.20 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 32 G 8.35 3.51 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 0.00 33 G 7.27 4.64 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 0.00 34 S 7.07 4.43 0.00 3.86 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 35 G 8.70 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.21 4.72 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 37 P 0.00 4.75 0.00 2.24 2.02 0.00 3.65 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 1.95 0.00 38 V 9.03 3.74 1.74 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 0.58 0.00 0.00 0.74 0.00 0.00 39 D 7.29 4.56 0.00 2.94 2.85 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 40 E 8.93 4.00 0.00 2.08 2.07 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 2.43 2.40 0.00 41 L 8.04 3.98 0.00 1.65 1.47 0.16 0.89 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 42 D 8.68 4.57 0.00 3.17 2.88 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 43 R 7.94 4.11 0.00 2.04 1.94 0.00 3.17 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 44 C 8.01 4.28 0.00 3.46 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 45 C 8.30 4.49 0.00 3.37 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 46 E 8.69 3.50 0.00 1.16 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 2.04 1.47 0.00 47 T 7.92 3.93 4.36 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 1.14 0.00 0.00 48 H 7.71 4.03 0.00 3.09 3.40 0.00 5.61 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 49 D 8.15 4.38 0.00 3.07 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 50 N 8.23 4.40 0.00 2.75 2.86 0.00 0.00 6.76 6.95 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 51 C 8.02 4.37 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.54 4.26 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 53 R 7.98 3.93 0.00 1.87 2.10 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 54 D 8.17 4.43 0.00 3.07 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 55 A 7.59 3.29 1.09 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 0.00 0.00 56 K 7.26 4.11 0.00 1.64 1.69 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.52 7.81 57 N 7.29 4.67 0.00 2.71 2.62 0.00 0.00 7.18 7.85 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 58 L 7.90 4.37 0.00 1.61 1.37 0.74 0.32 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 59 S 8.56 4.14 0.00 3.79 3.77 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 60 G 8.41 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 61 C 7.16 4.13 0.00 2.79 2.89 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 *67 Y 8.01 4.79 0.00 3.07 2.88 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 68 P 0.00 3.93 0.00 0.59 0.76 0.00 3.28 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 69 Y 7.59 4.37 0.00 3.06 3.01 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 70 T 7.38 4.52 4.32 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 1.32 0.00 0.00 71 E 7.86 4.33 0.00 2.06 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 2.33 2.40 0.00 72 S 8.58 4.38 0.00 3.95 3.77 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 73 Y 7.90 4.90 0.00 2.99 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 74 S 8.69 5.09 0.00 3.99 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 75 Y 8.44 5.55 0.00 3.19 3.01 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 76 S 9.70 4.44 0.00 3.78 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 77 C 8.62 5.43 0.00 3.10 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 78 S 8.24 4.37 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 79 N 8.82 3.84 0.00 2.87 2.82 0.00 0.00 6.77 7.05 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 80 T 8.48 4.10 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 1.23 0.00 0.00 81 E 8.10 4.51 0.00 2.21 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 2.25 2.41 0.00 82 I 8.23 4.91 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.96 0.00 0.00 83 T 9.11 4.63 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 1.22 0.00 0.00 84 C 8.76 4.90 0.00 2.78 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 85 N 8.99 4.49 0.00 2.90 2.78 0.00 0.00 6.51 7.26 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 86 S 9.03 4.32 0.00 4.02 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 87 K 8.34 4.43 0.00 2.02 1.89 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.40 7.81 88 N 8.01 4.54 0.00 2.75 2.80 0.00 0.00 6.93 7.59 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 89 N 9.69 4.61 0.00 2.96 2.98 0.00 0.00 6.85 8.11 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 90 A 8.61 3.99 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 91 C 8.16 4.17 0.00 2.93 3.18 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 0.00 0.00 0.00 0.00 92 E 9.16 3.99 0.00 2.17 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 2.54 2.58 0.00 93 A 8.52 3.88 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 94 F 8.17 3.77 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.91 3.86 1.96 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 1.34 0.97 0.97 0.00 0.00 96 C 7.95 3.28 0.00 2.42 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 97 N 7.95 4.07 0.00 2.79 2.54 0.00 0.00 7.01 7.18 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 98 C 7.89 4.03 0.00 3.20 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 99 D 7.70 3.69 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.01 3.75 0.00 1.74 1.93 0.00 3.02 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 101 N 8.18 4.12 0.00 2.72 2.71 0.00 0.00 6.95 7.87 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 0.00 102 A 7.65 3.57 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 0.00 103 A 7.87 3.57 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 0.00 104 I 7.28 3.64 1.90 0.00 0.00 0.80 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 0.59 0.87 0.00 0.00 105 C 8.12 4.34 0.00 3.00 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 0.00 106 F 8.04 4.28 0.00 2.87 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.93 4.42 0.00 4.10 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.80 4.48 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 109 A 7.46 4.88 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 0.00 110 P 0.00 4.39 0.00 2.25 2.12 0.00 3.76 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 2.27 2.02 0.00 111 Y 8.42 4.33 0.00 2.96 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 0.00 112 N 8.55 4.66 0.00 2.69 2.53 0.00 0.00 6.37 8.15 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 0.00 113 K 8.85 3.92 0.00 1.84 1.84 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.52 7.81 114 E 7.98 3.96 0.00 1.79 1.80 0.00 0.00 0.00 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 2.25 0.00 115 H 7.83 4.37 0.00 2.64 2.41 0.00 5.64 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 0.00 116 K 7.21 3.99 0.00 1.82 1.72 0.00 2.02 0.00 0.00 1.88 0.00 0.00 3.24 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.74 1.75 7.81 117 N 9.10 4.21 0.00 2.80 2.84 0.00 0.00 6.96 7.73 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 0.00 118 L 7.58 3.94 0.00 1.58 1.50 0.67 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.64 4.65 0.00 2.84 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 0.00 120 T 8.22 3.88 4.18 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 0.00 0.00 0.00 1.17 0.00 0.00 121 K 7.70 4.09 0.00 1.74 1.87 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.42 7.81 122 K 7.80 4.30 0.00 1.40 1.50 0.00 1.30 0.00 0.00 0.64 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.73 7.81 123 Y 7.92 4.74 0.00 3.08 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 0.00 124 C 8.10 4.45 0.00 3.12 3.09 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 * Residues marked with a * may have inaccurate shift predictions.