NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9118 8.3393 109.7380 45.7902 0.0000 173.7108 0 S 4.3883 8.3495 113.1071 56.9115 61.9543 171.8263 2 Q 4.4937 7.8211 122.1669 57.5565 32.4567 179.5374 3 I 3.8503 7.7418 117.1500 63.2489 38.4626 177.1794 4 E 3.9829 8.3980 119.7136 59.5646 29.4170 179.2000 5 K 3.9908 7.9176 117.2618 58.6593 32.1271 177.5077 6 L 4.4966 7.7821 116.4612 54.1474 42.8345 176.7589 7 R 3.8208 7.5818 119.5605 56.5234 30.3976 175.9245 8 G 3.8775 8.1403 111.6422 44.5308 0.0000 172.7867 9 A 3.9355 8.1452 119.7369 55.1972 18.1443 179.8051 10 A 3.8756 7.8290 118.6490 55.2185 18.6244 179.4869 11 L 3.5923 7.7065 118.4000 58.2163 42.1320 178.5542 12 D 4.4275 8.1736 118.9672 57.4640 40.6600 178.5531 13 E 3.9116 8.1493 119.7274 58.9650 29.6530 178.5311 14 L 3.9200 7.7435 120.4336 58.3299 42.0858 179.1089 15 F 4.6627 7.9529 117.6383 60.6973 38.6185 177.2943 16 D 4.3814 8.4276 117.9133 57.3436 40.8993 178.5161 17 A 4.0201 8.2250 121.2122 55.3527 18.4064 179.7588 18 I 3.5152 7.8165 118.1984 64.4986 36.9422 178.7002 19 L 4.1102 8.0352 119.1913 57.3990 41.4936 178.8903 20 T 4.0981 7.4919 108.2105 62.1087 69.4213 175.1374 21 L 4.0927 7.1070 122.4256 55.0511 42.0730 176.6255 22 E 4.6218 9.2446 121.3891 56.1761 31.7671 175.7694 23 N 5.0324 7.6154 115.2269 50.4265 41.7290 175.0491 24 R 4.0144 8.5481 119.7022 59.5652 30.0994 177.8710 25 E 4.1498 8.3463 118.7821 59.1607 29.6322 178.4058 26 E 4.0688 8.9772 119.2192 59.4573 29.3856 179.0662 27 C 4.4197 8.0344 116.8428 63.0974 28.2587 175.4790 28 Y 4.0501 8.3733 118.3206 61.4628 37.5214 179.1153 29 Q 4.1011 8.5082 118.7400 58.8657 28.7532 178.6584 30 F 4.0901 8.5625 121.8284 61.4758 39.4610 177.4435 31 F 3.9446 8.5994 117.6085 60.1474 38.3856 177.2824 32 D 4.3332 8.1359 117.4739 57.2225 41.0767 177.7290 33 D 4.4097 7.7316 118.5312 57.3467 40.9506 178.2552 34 L 3.8837 7.5685 119.6636 56.4717 42.2403 176.3248 35 C 5.0527 7.4713 114.2862 57.5853 31.6043 174.0410 36 T 4.3596 8.5162 112.1876 60.8724 70.8731 176.0762 37 V 3.5973 8.2121 120.7170 66.3055 31.5051 177.7280 38 N 4.3058 8.1660 115.6307 56.4308 38.4387 177.0692 39 E 3.9491 8.2946 119.7578 59.5005 29.5536 179.5036 40 I 3.6550 7.7879 119.8241 64.3328 37.0889 178.1839 41 Q 3.9197 8.2822 120.6125 59.2230 28.8251 178.4400 42 S 4.0541 8.0262 114.0121 61.3957 62.3377 176.0589 43 L 3.9678 7.9337 121.6590 57.8285 41.4655 179.4527 44 S 4.0345 8.1850 113.0539 61.5409 62.2508 176.2142 45 Q 3.9880 8.2679 120.8087 58.9559 28.3292 179.0024 46 R 3.8862 8.1258 119.0803 59.3013 30.1710 178.8838 47 L 3.9678 7.7551 119.9469 58.2153 41.8312 179.0102 48 Q 3.8943 7.7195 116.9352 58.7420 28.6768 178.5602 49 V 3.5406 7.7809 118.4495 65.8263 31.8848 177.4781 50 A 3.8032 7.8240 120.6614 54.9556 17.9037 180.2021 51 K 3.7332 7.6102 112.8280 57.6518 32.0388 178.8710 *53 I 3.9754 7.6507 122.0114 61.3827 38.9005 178.2917 54 K 3.9620 7.8756 118.1553 59.4603 31.8569 178.1031 55 Q 4.1684 8.2539 115.6120 56.5128 28.7347 176.7908 56 G 3.9466 8.0076 106.5840 45.3814 0.0000 173.6957 57 Y 4.1376 7.9145 116.5252 57.8133 38.6896 176.5104 58 T 4.3061 8.1830 112.9140 61.0239 71.5376 175.2820 59 Y 4.1297 8.5651 119.3886 61.5213 37.7571 178.9335 60 A 4.0721 8.2538 120.7050 55.8073 18.4717 179.7132 61 T 3.9275 7.6541 112.8584 66.6873 68.4658 177.0288 62 I 3.6071 7.9635 121.8128 64.2962 37.2648 177.9749 63 E 3.9325 8.2145 119.9771 59.4891 29.2761 178.9399 64 Q 4.0012 7.5681 116.5092 59.1494 28.9149 178.3221 65 E 4.1858 8.1057 118.2760 58.5137 29.6657 178.6116 66 S 4.4053 8.2239 113.5515 58.2600 63.7783 175.6582 67 G 3.8492 7.9396 108.1112 45.2946 0.0000 173.4368 68 A 4.2902 7.6555 122.5888 51.3273 19.4162 178.4033 69 S 4.5077 8.2972 115.6092 57.9639 65.4984 175.6457 70 T 3.8796 8.4272 112.6945 64.7724 68.3698 176.4583 71 A 4.0010 7.9405 123.4627 55.2782 18.5459 179.5460 72 T 3.8415 8.0721 114.2824 66.8007 68.4695 176.9187 73 I 3.7026 8.0116 121.9121 64.4870 37.0901 178.2744 74 S 4.1834 8.3750 114.0212 61.6914 62.1776 176.5409 75 R 3.9942 8.1187 120.6849 59.0923 29.7022 179.2331 76 V 3.6279 7.9327 118.1299 65.8761 31.5598 177.8595 77 K 3.7880 8.2345 119.5163 59.7241 31.9832 178.8369 78 R 4.1085 8.3465 118.3367 59.5133 30.0017 179.2713 79 S 4.3313 8.3042 114.9917 61.6483 62.6250 176.7584 80 L 4.0932 8.0710 120.9700 57.4257 41.3218 179.3034 81 Q 3.8832 7.7146 117.2467 57.6606 28.9931 176.9823 82 W 4.8864 8.2168 115.8830 56.3231 30.7213 177.1574 83 G 4.1361 7.9575 112.9370 46.1058 0.0000 174.7516 84 N 4.7170 8.7710 122.0003 52.5671 38.8822 175.0464 85 D 4.5091 8.1793 116.1717 55.1978 38.5791 175.5625 86 A 3.8276 7.4194 125.0673 55.2104 18.8759 179.7006 87 Y 4.3085 7.9900 113.5072 61.7685 38.2487 179.1906 88 T 4.0495 7.6043 112.9668 64.4233 68.4277 175.8719 *90 I 4.1012 7.8026 117.7295 60.9439 39.4518 177.7890 91 L 4.0726 8.0961 120.2797 57.5476 41.6926 177.9906 92 D 4.4842 8.2299 117.5483 57.3559 41.2255 178.8856 93 R 3.9980 7.2052 117.6005 55.7584 29.1686 176.8702 *95 N 4.4346 8.1223 117.3098 53.0015 38.6840 174.2249 96 I 3.8016 8.2830 119.3718 63.1547 37.6044 177.0139 97 E 4.3014 8.1064 118.9225 56.9536 29.8469 176.1469 98 T 4.6842 7.6134 108.9417 59.6104 71.2871 173.8088 99 N 4.5364 8.4622 120.1825 53.9077 39.3308 173.9558 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 G 8.34 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 0.00 0.00 0.00 0 S 8.35 4.39 0.00 4.09 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 2 Q 7.82 4.49 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 3 I 7.74 3.85 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.97 0.00 0.00 4 E 8.40 3.98 0.00 2.05 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 2.43 2.31 0.00 5 K 7.92 3.99 0.00 1.86 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 6 L 7.78 4.50 0.00 1.71 1.66 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.58 3.82 0.00 1.78 1.88 0.00 3.37 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 8 G 8.14 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 9 A 8.15 3.94 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 10 A 7.83 3.88 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 11 L 7.71 3.59 0.00 1.62 1.54 0.27 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.17 4.43 0.00 2.91 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 13 E 8.15 3.91 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 14 L 7.74 3.92 0.00 1.69 1.46 1.03 0.97 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 15 F 7.95 4.66 0.00 3.13 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 16 D 8.43 4.38 0.00 2.78 2.75 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 17 A 8.23 4.02 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 18 I 7.82 3.52 2.15 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.27 1.06 0.00 0.00 19 L 8.04 4.11 0.00 1.77 1.73 0.97 0.90 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 20 T 7.49 4.10 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 1.19 0.00 0.00 21 L 7.11 4.09 0.00 1.76 1.66 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.24 4.62 0.00 2.03 1.95 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 2.22 2.38 0.00 23 N 7.62 5.03 0.00 2.97 2.90 0.00 0.00 5.92 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 24 R 8.55 4.01 0.00 1.99 2.08 0.00 3.33 0.00 0.00 3.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.82 0.00 25 E 8.35 4.15 0.00 2.14 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 2.38 2.51 0.00 26 E 8.98 4.07 0.00 2.26 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 2.37 2.57 0.00 27 C 8.03 4.42 0.00 3.28 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 28 Y 8.37 4.05 0.00 3.30 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 29 Q 8.51 4.10 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 30 F 8.56 4.09 0.00 2.98 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 31 F 8.60 3.94 0.00 3.20 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 32 D 8.14 4.33 0.00 2.82 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 33 D 7.73 4.41 0.00 2.68 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 34 L 7.57 3.88 0.00 0.71 1.22 0.73 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.47 5.05 0.00 3.15 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 36 T 8.52 4.36 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 37 V 8.21 3.60 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 1.15 0.00 0.00 0.95 0.00 0.00 38 N 8.17 4.31 0.00 2.85 2.86 0.00 0.00 7.13 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 39 E 8.29 3.95 0.00 2.18 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 2.34 2.35 0.00 40 I 7.79 3.65 1.85 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 1.40 0.66 0.81 0.00 0.00 41 Q 8.28 3.92 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 42 S 8.03 4.05 0.00 4.04 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 43 L 7.93 3.97 0.00 1.78 1.62 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.18 4.03 0.00 3.82 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 45 Q 8.27 3.99 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 46 R 8.13 3.89 0.00 2.07 2.09 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 47 L 7.76 3.97 0.00 1.79 1.81 1.07 1.11 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 48 Q 7.72 3.89 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 49 V 7.78 3.54 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 0.69 0.00 0.00 0.92 0.00 0.00 50 A 7.82 3.80 0.35 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 51 K 7.61 3.73 0.00 1.86 1.72 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.57 7.81 *53 I 7.65 3.98 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.06 0.77 0.00 0.00 54 K 7.88 3.96 0.00 1.84 1.84 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 55 Q 8.25 4.17 0.00 2.26 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 56 G 8.01 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 0.00 0.00 0.00 57 Y 7.91 4.14 0.00 2.76 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 58 T 8.18 4.31 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 1.22 0.00 0.00 59 Y 8.57 4.13 0.00 3.14 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 60 A 8.25 4.07 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 61 T 7.65 3.93 4.54 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 1.40 0.00 0.00 62 I 7.96 3.61 1.99 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 1.24 0.70 0.83 0.00 0.00 63 E 8.21 3.93 0.00 2.22 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 2.33 2.57 0.00 64 Q 7.57 4.00 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 65 E 8.11 4.19 0.00 2.01 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 2.53 2.54 0.00 66 S 8.22 4.41 0.00 3.96 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 67 G 7.94 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 68 A 7.66 4.29 1.24 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 0.00 0.00 69 S 8.30 4.51 0.00 4.07 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 70 T 8.43 3.88 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 1.21 0.00 0.00 71 A 7.94 4.00 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 72 T 8.07 3.84 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 1.23 0.00 0.00 73 I 8.01 3.70 2.11 0.00 0.00 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 1.41 0.77 1.01 0.00 0.00 74 S 8.37 4.18 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 75 R 8.12 3.99 0.00 2.12 2.03 0.00 3.23 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 76 V 7.93 3.63 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 0.82 0.00 0.00 0.94 0.00 0.00 77 K 8.23 3.79 0.00 1.90 1.99 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.39 7.81 78 R 8.35 4.11 0.00 2.20 2.30 0.00 3.44 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 79 S 8.30 4.33 0.00 4.27 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 80 L 8.07 4.09 0.00 1.68 1.65 0.73 0.96 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 81 Q 7.71 3.88 0.00 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 1.97 2.25 0.00 82 W 8.22 4.89 0.00 3.43 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 83 G 7.96 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 0.00 0.00 0.00 84 N 8.77 4.72 0.00 2.71 2.80 0.00 0.00 6.86 8.08 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 85 D 8.18 4.51 0.00 2.86 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 86 A 7.42 3.83 1.17 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 0.00 0.00 0.00 0.00 0.00 87 Y 7.99 4.31 0.00 3.02 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 88 T 7.60 4.05 4.47 0.00 0.00 0.00 0.00 0.00 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 *90 I 7.80 4.10 1.86 0.00 0.00 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 1.38 1.03 0.86 0.00 0.00 91 L 8.10 4.07 0.00 1.75 1.78 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.23 4.48 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.21 4.00 0.00 2.07 1.94 0.00 3.23 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 *95 N 8.12 4.43 0.00 2.87 2.93 0.00 0.00 6.80 7.93 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 96 I 8.28 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.91 0.00 0.00 97 E 8.11 4.30 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 2.31 2.38 0.00 98 T 7.61 4.68 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 99 N 8.46 4.54 0.00 2.64 2.65 0.00 0.00 6.88 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 * Residues marked with a * may have inaccurate shift predictions.