NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2601 8.1233 123.5848 52.3092 19.8770 176.8022 2 C 4.6815 8.3374 115.5844 55.7638 38.7558 171.8176 3 D 4.2981 9.2361 125.9088 56.4718 42.5535 175.9502 4 Y 4.6923 8.6139 115.9991 56.2432 42.1874 174.5297 5 T 4.8419 8.7151 118.0726 60.7514 70.3997 173.5681 6 C 4.9295 9.2517 128.7287 55.7933 40.6081 175.4193 7 G 3.6415 7.9196 117.1488 46.2230 0.0000 174.7170 8 S 4.1566 8.9515 120.2470 60.4598 62.9038 173.7320 9 N 4.5796 8.0763 118.6642 51.6812 39.5453 172.8667 10 C 5.1862 8.2465 120.3210 55.3777 43.4211 172.8363 11 Y 5.2849 9.0111 121.3192 56.1846 41.5904 175.5271 12 S 5.2171 9.2690 118.0110 56.9038 64.9460 175.4838 13 S 4.3344 9.2601 116.9114 61.7211 62.3820 177.2380 14 S 4.0997 8.0356 115.6130 61.4076 62.3480 175.6864 15 D 4.3826 8.0220 121.5370 57.3603 40.5071 179.0166 16 V 3.4366 7.9065 118.9734 65.9696 31.5741 178.3253 17 S 4.1130 8.4146 114.2985 61.4497 62.8713 176.7343 18 T 3.8187 7.9397 119.3664 66.3747 68.2473 176.5428 19 A 4.1413 7.8596 122.5317 55.3121 18.4849 179.3278 20 Q 3.7013 8.3927 118.2477 59.3608 29.0748 178.5640 21 A 3.9761 8.0127 121.3604 54.7733 18.3311 179.5802 22 A 3.8462 7.6422 119.2137 55.1429 18.4726 180.1185 23 G 2.3318 6.9415 104.1720 47.4598 0.0000 175.3803 24 Y 3.5445 7.6071 122.1997 59.8904 38.8201 177.6312 25 K 3.6455 7.7310 120.5957 59.5982 32.2520 178.7472 26 L 3.8718 7.3410 118.5894 57.7950 41.2355 178.9396 27 H 3.9683 7.7313 117.3609 59.4005 29.8959 176.9923 28 E 3.7354 7.9760 119.2002 59.1107 29.2772 178.5331 29 D 4.4919 7.6044 117.0981 54.6773 41.0012 177.4014 30 G 3.7845 7.5229 107.3038 45.6977 0.0000 172.9187 31 E 4.6106 7.7936 118.8826 54.7711 31.2291 175.1826 32 T 5.1988 8.1480 119.0178 61.9210 72.9280 173.7450 33 V 4.5306 9.0533 122.5699 61.0608 34.7023 176.4778 34 G 4.6311 8.7081 105.0169 46.6805 0.0000 174.6053 35 S 4.1207 8.8290 115.0297 61.8744 62.7623 175.7935 36 N 4.4709 8.2649 113.3973 52.7104 38.6769 175.5317 37 S 3.8184 7.7019 112.6001 59.8753 60.6734 171.0593 38 Y 4.9677 8.3549 119.6570 56.2090 40.1138 174.5744 39 P 5.6917 0.0000 0.0000 63.0407 32.7655 174.7583 40 H 5.2698 8.5726 115.3868 53.7430 32.5694 172.4074 41 K 4.0693 8.9184 118.2825 56.9337 32.7706 175.8418 42 Y 4.7621 8.5307 124.9769 56.1278 40.7260 175.7909 43 N 4.1634 8.3804 123.0029 52.5098 39.7716 174.1242 44 N 3.7919 5.7700 115.7082 53.4949 37.1717 174.7514 45 Y 4.4055 7.1429 114.2157 60.3042 38.7089 177.5251 46 E 3.7831 7.9481 118.2957 56.8613 29.7484 176.5764 47 G 3.7420 7.2778 106.1898 46.3319 0.0000 174.2950 48 F 4.3401 7.5997 116.9901 57.3005 39.4909 176.2623 49 D 4.6336 8.2585 124.3153 53.0590 39.7814 176.2551 50 F 4.9472 8.1171 122.3559 56.5758 40.1912 176.5546 51 S 4.5422 8.7035 116.4476 59.4016 63.6236 174.2405 52 V 4.6635 7.5382 113.0528 59.5381 35.2239 175.1509 53 S 4.5253 8.4601 117.4977 57.9250 63.6043 174.5874 54 S 3.2266 7.7868 117.6646 56.3038 63.9463 171.9269 55 P 4.0778 0.0000 0.0000 62.8448 32.2545 175.4091 56 Y 5.0347 7.8708 118.8047 56.6499 41.5304 174.2543 57 Y 5.0703 8.5313 118.5175 56.0859 42.1850 174.3154 58 E 5.0934 9.4424 120.9841 54.4480 32.9786 174.6676 59 W 5.3325 8.7358 130.5418 55.2631 34.7325 172.2853 60 P 4.3518 0.0000 0.0000 62.2415 31.4978 175.3218 61 I 4.2798 7.8684 123.9337 59.0635 40.1038 174.6277 62 L 4.8100 8.1848 128.8242 52.6089 43.8028 177.7008 63 S 4.3897 8.8555 117.5508 61.3745 63.1041 175.9436 64 S 4.1416 8.0278 114.6793 59.6470 62.8744 175.1736 65 G 4.0222 8.1224 108.7745 45.0755 0.0000 173.3690 66 D 4.6077 7.3926 119.0278 53.8335 41.5813 175.7131 67 V 4.1726 7.9881 120.5447 61.5589 32.2269 175.1943 68 Y 4.1204 8.6035 128.3675 58.0701 38.9337 176.6991 69 S 4.1520 7.7683 122.3315 58.3748 63.4171 172.9260 70 G 3.5250 6.8462 106.0000 45.9972 0.0000 175.4913 71 G 3.7833 8.4572 106.0746 44.6444 0.0000 172.6916 72 S 4.1977 8.7162 115.3985 58.1345 62.5347 173.6009 73 P 3.8734 0.0000 0.0000 62.8651 31.9968 177.7031 74 G 3.7425 7.3770 106.1497 45.1062 0.0000 172.3795 75 A 4.6424 8.3997 117.8705 52.0871 21.3458 176.8241 76 D 5.4183 7.9821 115.3439 52.9915 43.6974 175.8414 77 R 4.8862 8.7819 119.9306 54.4611 34.8978 174.3954 78 V 4.1969 8.9658 123.1911 61.8848 33.4512 174.6745 79 V 4.7515 8.3653 127.4206 60.9460 34.0149 174.2927 80 F 5.5064 8.4908 121.8173 55.4974 42.2805 173.1572 81 N 5.8690 8.9617 117.2145 50.3847 39.8770 174.9273 82 E 4.1974 9.2077 118.2809 59.4547 29.7818 177.3094 83 N 4.7199 8.4407 114.1297 52.6490 38.5886 174.0127 84 N 3.6740 8.0099 115.2839 54.6086 37.6425 173.7461 85 Q 4.5282 8.1943 114.7879 53.5486 30.6543 175.0496 86 L 4.3724 8.3612 123.8250 54.7049 42.9108 176.1489 87 A 4.2065 8.8267 129.1148 51.8994 19.9761 176.8390 88 G 3.8667 6.1619 100.5968 46.4491 0.0000 171.2992 89 V 4.7032 7.4761 118.7231 60.8158 34.4143 174.6651 90 I 5.0015 8.3356 120.3214 59.3691 41.4068 174.0938 91 T 5.3720 9.2071 116.4125 60.2200 71.0253 172.9559 92 A 4.4245 8.9470 129.5572 52.3416 18.5572 177.7168 93 T 4.1470 8.3904 110.2499 62.8272 70.2577 176.0582 *98 N 4.9110 8.1450 118.2280 52.5768 40.5234 174.0991 99 N 5.3133 7.2218 113.9078 51.4872 42.4938 173.4882 100 F 5.6799 9.7152 120.7392 56.0651 43.7579 174.2065 101 V 5.0327 9.2272 112.5348 59.6585 35.6021 175.4972 102 E 4.1280 8.5021 121.9387 56.2521 30.1749 177.5797 103 C 4.6629 8.6554 120.5605 56.9484 41.4136 174.1953 104 T 4.0898 8.5987 117.8811 64.0324 68.0505 174.7808 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 4.26 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 2 C 8.34 4.68 0.00 3.03 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 3 D 9.24 4.30 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.61 4.69 0.00 3.07 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.72 4.84 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 1.20 0.00 0.00 6 C 9.25 4.93 0.00 3.09 3.16 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 7 G 7.92 3.64 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 8 S 8.95 4.16 0.00 3.85 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 9 N 8.08 4.58 0.00 2.54 2.15 0.00 0.00 6.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.25 5.19 0.00 2.72 2.92 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 11 Y 9.01 5.28 0.00 2.92 2.79 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 0.00 0.00 0.00 0.00 12 S 9.27 5.22 0.00 3.95 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 13 S 9.26 4.33 0.00 3.95 4.03 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 14 S 8.04 4.10 0.00 3.91 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 15 D 8.02 4.38 0.00 3.02 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 16 V 7.91 3.44 1.84 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 0.88 0.00 0.00 0.72 0.00 0.00 17 S 8.41 4.11 0.00 4.02 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.94 3.82 4.39 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 1.23 0.00 0.00 19 A 7.86 4.14 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 20 Q 8.39 3.70 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 21 A 8.01 3.98 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 22 A 7.64 3.85 1.34 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 0.00 0.00 23 G 6.94 2.33 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 24 Y 7.61 3.54 0.00 2.32 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 25 K 7.73 3.65 0.00 1.88 1.76 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.55 7.81 26 L 7.34 3.87 0.00 1.65 1.78 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.73 3.97 0.00 3.05 3.17 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.98 3.74 0.00 1.69 1.77 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 1.72 1.88 0.00 29 D 7.60 4.49 0.00 2.73 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 30 G 7.52 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 0.00 0.00 0.00 31 E 7.79 4.61 0.00 1.89 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 2.23 2.42 0.00 32 T 8.15 5.20 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 1.29 0.00 0.00 33 V 9.05 4.53 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 1.30 0.00 0.00 0.93 0.00 0.00 34 G 8.71 4.63 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 35 S 8.83 4.12 0.00 3.94 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 36 N 8.26 4.47 0.00 2.45 2.47 0.00 0.00 7.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.70 3.82 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 38 Y 8.35 4.97 0.00 3.21 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 39 P 0.00 5.69 0.00 2.32 2.49 0.00 3.74 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 2.13 2.11 0.00 40 H 8.57 5.27 0.00 3.28 3.66 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.92 4.07 0.00 1.62 1.62 0.00 1.46 0.00 0.00 1.08 0.00 0.00 2.47 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.34 7.81 42 Y 8.53 4.76 0.00 2.96 2.76 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 43 N 8.38 4.16 0.00 2.04 1.42 0.00 0.00 7.17 8.00 0.00 0.00 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 N 5.77 3.79 0.00 3.02 2.73 0.00 0.00 7.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.14 4.41 0.00 2.96 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 46 E 7.95 3.78 0.00 1.16 1.12 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 2.41 2.26 0.00 47 G 7.28 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 0.00 0.00 0.00 48 F 7.60 4.34 0.00 1.99 2.11 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 49 D 8.26 4.63 0.00 2.66 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 50 F 8.12 4.95 0.00 3.03 2.80 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 0.00 0.00 0.00 51 S 8.70 4.54 0.00 4.05 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 52 V 7.54 4.66 2.19 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 0.83 0.00 0.00 1.16 0.00 0.00 53 S 8.46 4.53 0.00 3.84 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 54 S 7.79 3.23 0.00 3.25 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 55 P 0.00 4.08 0.00 1.85 1.73 0.00 3.52 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 56 Y 7.87 5.03 0.00 3.17 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 57 Y 8.53 5.07 0.00 1.75 2.48 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 0.00 0.00 0.00 0.00 58 E 9.44 5.09 0.00 1.77 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 2.32 2.26 0.00 59 W 8.74 5.33 0.00 3.70 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 60 P 0.00 4.35 0.00 0.83 1.23 0.00 2.20 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.87 4.28 1.56 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.55 0.45 0.00 0.00 62 L 8.18 4.81 0.00 1.87 1.56 1.01 0.70 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 63 S 8.86 4.39 0.00 3.98 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 64 S 8.03 4.14 0.00 4.02 4.07 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 65 G 8.12 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 0.00 0.00 0.00 66 D 7.39 4.61 0.00 2.66 2.64 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 67 V 7.99 4.17 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 0.94 0.00 0.00 1.03 0.00 0.00 68 Y 8.60 4.12 0.00 2.57 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.77 4.15 0.00 3.90 3.79 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 0.00 0.00 0.00 0.00 70 G 6.85 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 71 G 8.46 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 0.00 0.00 0.00 72 S 8.72 4.20 0.00 3.88 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 73 P 0.00 3.87 0.00 1.73 1.48 0.00 3.93 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 74 G 7.38 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 0.00 0.00 0.00 75 A 8.40 4.64 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 76 D 7.98 5.42 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.78 4.89 0.00 1.25 1.46 0.00 3.14 0.00 0.00 2.82 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 78 V 8.97 4.20 2.19 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 0.91 0.00 0.00 0.77 0.00 0.00 79 V 8.37 4.75 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 0.53 0.00 0.00 0.25 0.00 0.00 80 F 8.49 5.51 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.96 5.87 0.00 3.09 3.25 0.00 0.00 6.53 8.27 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 82 E 9.21 4.20 0.00 2.16 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 0.00 2.41 2.56 0.00 83 N 8.44 4.72 0.00 3.00 2.81 0.00 0.00 6.87 8.00 0.00 0.00 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 N 8.01 3.67 0.00 1.44 2.19 0.00 0.00 7.00 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 85 Q 8.19 4.53 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 86 L 8.36 4.37 0.00 1.54 1.55 0.83 0.98 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 87 A 8.83 4.21 0.60 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 0.00 0.00 88 G 6.16 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 89 V 7.48 4.70 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 0.87 0.00 0.00 -0.10 0.00 0.00 90 I 8.34 5.00 1.86 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.63 0.59 0.00 0.00 91 T 9.21 5.37 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 1.34 0.00 0.00 92 A 8.95 4.42 1.07 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 0.00 0.00 93 T 8.39 4.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 *98 N 8.15 4.91 0.00 2.95 2.96 0.00 0.00 6.69 8.00 0.00 0.00 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 N 7.22 5.31 0.00 2.52 2.66 0.00 0.00 6.80 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 0.00 100 F 9.72 5.68 0.00 3.17 3.15 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 0.00 101 V 9.23 5.03 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 0.85 0.00 0.00 1.08 0.00 0.00 102 E 8.50 4.13 0.00 1.69 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 0.00 1.47 1.54 0.00 103 C 8.66 4.66 0.00 3.13 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 0.00 104 T 8.60 4.09 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.