NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3655 0.0000 0.0000 62.5599 32.6486 175.5256 5 V 3.8399 7.9665 119.1033 59.8117 32.9408 173.6161 6 T 4.4929 8.7372 117.1338 60.2643 70.1696 174.5623 7 F 4.7281 8.6875 126.1935 55.6831 40.8258 175.2441 8 V 4.2480 8.3255 125.3080 60.3973 32.2326 173.6851 9 P 4.6232 0.0000 0.0000 61.8574 32.3278 175.7228 10 D 4.5223 8.2983 118.7187 54.2309 41.3144 176.7161 11 T 3.9444 8.2910 118.4468 62.9900 68.7228 172.9915 12 P 4.2485 0.0000 0.0000 63.4756 31.9574 176.4344 13 I 4.2464 8.0633 119.5022 58.4689 36.1501 175.7252 14 E 4.3301 8.5737 125.7533 54.6613 30.3344 177.6344 15 S 4.3388 8.4124 115.8548 58.3590 65.0567 175.1081 16 R 3.8855 8.7212 122.8542 59.8755 29.4829 178.6195 17 A 4.1982 7.8014 120.5793 54.8270 18.5798 179.5841 18 R 4.2054 8.0832 116.5731 59.4717 29.9551 179.3367 19 L 4.1083 8.0603 118.1778 57.5540 41.6968 179.2369 20 S 4.4671 8.1842 112.8349 58.8777 63.2404 174.2316 21 L 3.3601 7.2000 124.8164 54.5811 42.2777 174.8780 22 P 4.1120 0.0000 0.0000 63.3889 31.6992 178.2435 23 K 4.0079 8.5856 123.8257 57.3054 31.8735 175.7986 24 Q 4.3027 8.0106 113.5677 57.4083 29.0380 175.0286 25 L 5.2597 7.5186 118.2349 53.2534 44.8522 176.0307 26 V 4.5678 9.2399 113.8000 59.7712 36.4428 174.4033 27 L 5.4702 8.3445 122.6136 53.5473 42.9389 176.1139 28 R 4.5350 8.9533 119.0229 54.5215 33.4369 173.9521 29 Q 4.4084 8.6550 120.7996 56.9796 29.1304 176.5201 30 S 4.8923 9.4353 121.6216 57.2324 63.4085 174.6933 31 I 3.9275 8.3752 122.9286 61.8519 37.0042 176.6641 *35 E 4.4765 8.1871 117.4912 55.2502 31.7959 176.1935 36 V 4.0770 8.0828 113.6729 61.4162 32.5664 175.4387 37 G 4.4763 9.7537 111.3647 43.6044 0.0000 171.1525 38 V 5.0561 8.3629 119.1214 61.1315 33.2750 174.5755 39 W 5.3777 10.0987 128.7465 54.8775 32.9674 174.9228 40 T 4.5268 9.0741 113.2904 61.6556 69.3468 175.5044 41 G 4.0902 9.0929 112.5810 46.9611 0.0000 172.4514 42 E 4.8789 7.6448 116.6459 55.4959 32.4578 175.0870 43 T 4.2591 8.5846 117.0374 63.9116 69.3782 174.3220 44 I 4.4420 8.8577 127.7291 58.9022 38.8853 173.6639 45 P 4.9625 0.0000 0.0000 62.0323 31.9248 176.8406 46 V 3.7255 8.6336 122.8405 62.4861 32.0893 175.5765 47 R 3.8030 8.0468 117.3252 57.6562 28.3877 176.3650 48 T 4.3510 7.9258 114.1143 62.4446 70.1655 173.7787 49 C 5.1849 8.4228 126.6006 57.5825 33.7751 172.6582 50 F 5.1905 10.6354 124.4278 56.0258 42.1489 175.3058 51 G 4.0428 8.7751 107.8942 42.3114 0.0000 170.9426 52 P 3.4300 0.0000 0.0000 61.1880 32.3786 176.0579 53 L 3.3157 7.4526 123.3809 55.8017 42.7414 176.2533 54 I 4.2932 8.4272 126.2967 59.6546 39.7723 175.1824 55 G 4.3956 8.0372 112.6507 45.2746 0.0000 171.3456 56 Q 4.3060 8.5116 119.6263 55.6825 29.4671 175.9883 57 Q 4.8899 8.5858 124.4207 55.3968 30.0108 175.8634 58 S 4.5537 9.3065 120.6908 56.8905 66.1241 175.1470 *59 H 4.7584 8.7121 127.3227 54.8769 27.8079 172.9989 *71 V 3.8495 7.5242 117.2993 62.3057 33.0723 178.0913 72 N 4.5243 9.0027 120.5882 52.9218 37.5194 173.7835 73 H 5.1537 7.5553 113.9774 54.4747 28.8254 173.7283 74 I 5.0917 7.2463 117.2170 59.6816 41.4306 176.4057 75 W 4.7107 9.6680 127.3356 54.7813 31.8526 174.9102 76 K 4.6578 8.7306 123.2054 54.8313 33.5769 175.6504 77 I 4.2478 8.3596 126.4234 59.7855 38.9642 174.3644 78 Y 4.9122 8.6110 124.9113 56.9642 40.0364 175.0869 79 H 4.8549 9.2575 121.9292 56.2814 33.0696 173.1981 80 N 4.4517 10.2157 124.0161 54.3380 36.1704 174.9701 81 G 4.0230 8.8541 102.9165 45.3518 0.0000 174.0916 82 V 4.4316 7.6908 118.0398 59.0340 33.9194 174.8459 83 L 3.4119 8.2745 124.6422 54.7203 41.6287 176.0718 84 E 4.3722 8.5700 127.6605 58.9937 30.2691 177.0962 85 F 4.8396 7.1275 111.1251 56.4870 40.9170 172.6122 86 C 5.2445 8.9110 117.6114 58.3100 31.0242 172.8618 87 I 5.0508 8.9984 123.6066 59.6209 39.3571 174.5420 88 I 5.0490 8.8832 121.2750 58.7177 39.9608 175.5844 89 T 4.7487 8.5012 114.8678 61.1183 66.4376 173.3605 90 T 4.1987 7.9060 115.7834 62.4525 70.4043 172.7505 91 D 4.7757 7.7125 121.1099 52.0799 42.0530 176.4122 92 E 3.9776 8.7888 127.1620 58.9992 29.6687 178.5229 93 N 4.6510 8.6143 114.9459 54.0620 39.0134 175.4583 94 E 4.5364 8.0390 115.9234 56.1125 30.5629 175.0125 95 C 5.3833 7.7747 115.9337 56.5592 32.8815 173.1183 96 N 4.7723 8.2791 118.7206 51.0278 39.2696 174.1570 97 W 4.4454 8.6436 116.4609 57.4876 27.6281 176.5881 *100 F 4.9393 8.8137 123.2409 56.7578 40.4948 175.0312 101 V 4.1438 7.9719 121.1013 62.6548 32.0438 175.5356 102 R 4.5722 8.4764 125.9445 55.2875 32.1862 175.1956 103 K 3.4614 8.2207 122.5039 55.0676 32.8167 176.4109 104 A 4.0113 8.1561 129.9567 52.7636 18.5299 177.7241 105 R 4.1605 9.1614 119.9080 56.8466 30.7807 175.9153 106 N 4.6737 7.2383 113.3251 51.7525 39.4468 174.7988 107 R 3.9908 8.3053 117.6073 58.8967 30.5751 179.3072 108 E 3.8100 8.3055 115.3598 59.3082 29.6109 178.0629 109 E 3.9591 8.3913 119.6530 58.0107 29.9057 176.9079 110 Q 4.2888 7.3079 120.3867 56.0893 29.5330 174.9978 111 N 5.1547 9.3257 119.6304 52.2394 40.0007 173.5164 112 L 5.5115 7.9541 119.7321 53.1265 46.1065 175.3628 113 V 4.9869 8.9840 122.6147 60.0884 33.9765 174.3218 114 A 5.6527 9.2908 127.0532 50.4467 21.3680 174.9593 115 Y 5.4101 8.4044 120.0524 54.7630 42.0131 172.5722 116 P 5.0515 0.0000 0.0000 63.1402 32.3737 175.2992 117 H 4.8014 9.5746 122.7571 55.7487 32.6210 172.8681 118 D 4.0457 9.3632 127.5717 55.7050 37.9270 173.9008 119 G 4.0253 8.4772 101.8961 46.3989 0.0000 173.8287 120 K 4.6476 7.7161 116.5319 54.3196 37.1611 175.2198 121 I 4.5794 7.5837 122.1171 59.7967 39.3326 174.8830 122 F 4.7307 8.4158 124.1076 55.4257 43.4891 173.7720 123 F 5.8204 9.0619 119.5554 56.1014 42.1570 173.9738 124 C 5.5700 9.4227 123.2978 57.4590 35.2666 173.0863 125 T 4.6200 8.8230 116.6661 62.2474 68.9202 175.3838 126 S 4.5665 9.1359 122.4484 60.5933 63.4878 173.6660 127 Q 4.6109 7.6990 115.4070 54.9213 31.0105 173.6134 128 D 4.7411 8.8452 119.9008 54.9948 41.6898 176.2156 129 I 4.4764 8.9367 124.2148 58.8073 39.6776 173.8612 130 P 4.8099 0.0000 0.0000 61.4776 32.3120 174.4966 131 P 4.3466 0.0000 0.0000 63.4124 32.0445 176.3115 132 E 4.0286 9.0968 120.3836 57.8235 27.4580 174.0598 133 N 5.1832 8.1384 115.2155 51.4314 42.0247 173.8043 134 E 3.5803 7.6293 122.6169 55.1238 31.1986 175.2072 135 L 4.3502 8.8197 127.8874 54.5209 42.6688 176.5474 136 L 4.9343 9.3766 123.9012 53.0745 45.5885 175.5971 137 F 5.2750 8.6045 119.5811 55.6966 40.4255 174.2672 138 Y 4.5245 8.8114 120.6957 55.6491 42.6998 173.9989 139 Y 4.9802 6.7970 121.0334 57.7464 38.7318 175.9790 140 S 4.5537 9.3227 121.0400 58.5742 64.3362 175.2986 141 R 4.2155 8.5900 117.2415 56.7525 29.1028 175.8339 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 4 P 0.00 4.37 0.00 2.19 2.13 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 5 V 7.97 3.84 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 -0.02 0.00 0.00 0.69 0.00 0.00 6 T 8.74 4.49 4.20 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 1.15 0.00 0.00 7 F 8.69 4.73 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 8 V 8.33 4.25 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 0.87 0.00 0.00 0.95 0.00 0.00 9 P 0.00 4.62 0.00 2.23 2.05 0.00 3.86 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 2.00 2.00 0.00 10 D 8.30 4.52 0.00 2.70 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 11 T 8.29 3.94 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 1.22 0.00 0.00 12 P 0.00 4.25 0.00 2.04 2.00 0.00 3.67 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 2.03 2.10 0.00 13 I 8.06 4.25 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 1.41 0.66 0.91 0.00 0.00 14 E 8.57 4.33 0.00 1.98 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 2.32 2.31 0.00 15 S 8.41 4.34 0.00 4.28 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 16 R 8.72 3.89 0.00 1.91 2.14 0.00 3.27 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 17 A 7.80 4.20 1.49 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 0.00 0.00 0.00 18 R 8.08 4.21 0.00 2.03 2.03 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 19 L 8.06 4.11 0.00 1.80 1.77 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.18 4.47 0.00 4.26 4.20 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 21 L 7.20 3.36 0.00 1.67 1.67 0.75 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.11 0.00 1.83 1.96 0.00 2.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.93 0.00 23 K 8.59 4.01 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 24 Q 8.01 4.30 0.00 2.22 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 25 L 7.52 5.26 0.00 1.31 1.46 -0.12 0.70 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 26 V 9.24 4.57 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 0.79 0.00 0.00 0.96 0.00 0.00 27 L 8.34 5.47 0.00 1.39 1.42 0.43 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.95 4.53 0.00 1.40 1.70 0.00 2.44 0.00 0.00 2.68 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 29 Q 8.66 4.41 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.04 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 30 S 9.44 4.89 0.00 4.09 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 31 I 8.38 3.93 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 0.91 0.00 0.00 *35 E 8.19 4.48 0.00 2.02 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 0.00 2.36 2.35 0.00 36 V 8.08 4.08 1.96 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 0.58 0.00 0.00 1.09 0.00 0.00 37 G 9.75 4.48 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 0.00 0.00 0.00 38 V 8.36 5.06 2.27 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 1.08 0.00 0.00 1.38 0.00 0.00 39 W 10.10 5.38 0.00 3.11 3.17 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 40 T 9.07 4.53 4.53 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 1.32 0.00 0.00 41 G 9.09 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 0.00 0.00 0.00 42 E 7.64 4.88 0.00 1.96 1.93 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 2.18 2.34 0.00 43 T 8.58 4.26 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 44 I 8.86 4.44 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 1.12 0.00 0.00 45 P 0.00 4.96 0.00 1.94 2.00 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 46 V 8.63 3.73 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 0.71 0.00 0.00 1.00 0.00 0.00 47 R 8.05 3.80 0.00 1.95 2.02 0.00 3.13 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 48 T 7.93 4.35 4.20 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 0.70 0.00 0.00 49 C 8.42 5.18 0.00 2.95 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 50 F 10.64 5.19 0.00 3.19 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 51 G 8.78 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 3.43 0.00 1.56 1.17 0.00 3.69 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 1.74 1.80 0.00 53 L 7.45 3.32 0.00 0.58 0.90 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.43 4.29 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.91 0.81 0.00 0.00 55 G 8.04 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 0.00 0.00 0.00 0.00 56 Q 8.51 4.31 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 57 Q 8.59 4.89 0.00 1.74 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 58 S 9.31 4.55 0.00 3.84 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 H 8.71 4.76 0.00 2.95 2.96 0.00 7.23 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 V 7.52 3.85 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 0.91 0.00 0.00 0.93 0.00 0.00 72 N 9.00 4.52 0.00 2.64 2.89 0.00 0.00 6.86 8.16 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 73 H 7.56 5.15 0.00 3.07 3.39 0.00 5.57 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.25 5.09 1.80 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 1.36 0.54 0.91 0.00 0.00 75 W 9.67 4.71 0.00 3.18 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 76 K 8.73 4.66 0.00 1.68 1.65 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.40 7.81 77 I 8.36 4.25 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.26 0.60 0.00 0.00 78 Y 8.61 4.91 0.00 2.80 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 79 H 9.26 4.85 0.00 3.10 3.11 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 10.22 4.45 0.00 2.74 2.80 0.00 0.00 7.25 7.65 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 81 G 8.85 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 82 V 7.69 4.43 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 0.82 0.00 0.00 0.92 0.00 0.00 83 L 8.27 3.41 0.00 0.81 1.37 0.36 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.57 4.37 0.00 1.93 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 0.00 2.45 2.47 0.00 85 F 7.13 4.84 0.00 3.11 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 86 C 8.91 5.24 0.00 2.93 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 87 I 9.00 5.05 2.02 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 1.50 1.02 0.89 0.00 0.00 88 I 8.88 5.05 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.95 0.00 0.00 89 T 8.50 4.75 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 90 T 7.91 4.20 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 1.24 0.00 0.00 91 D 7.71 4.78 0.00 2.77 2.49 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 0.00 92 E 8.79 3.98 0.00 2.13 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 0.00 2.53 2.44 0.00 93 N 8.61 4.65 0.00 2.78 2.86 0.00 0.00 6.84 8.18 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 94 E 8.04 4.54 0.00 2.02 1.91 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 2.22 2.36 0.00 95 C 7.77 5.38 0.00 2.65 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 96 N 8.28 4.77 0.00 2.71 2.75 0.00 0.00 6.06 8.88 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 97 W 8.64 4.45 0.00 3.60 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.94 0.00 3.48 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 0.00 101 V 7.97 4.14 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 0.94 0.00 0.00 1.24 0.00 0.00 102 R 8.48 4.57 0.00 1.77 1.83 0.00 3.46 0.00 0.00 3.43 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 103 K 8.22 3.46 0.00 1.13 1.40 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.47 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.08 0.35 7.81 104 A 8.16 4.01 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 0.00 105 R 9.16 4.16 0.00 1.83 1.93 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 106 N 7.24 4.67 0.00 2.85 2.69 0.00 0.00 6.12 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 0.00 107 R 8.31 3.99 0.00 1.83 1.96 0.00 3.05 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 108 E 8.31 3.81 0.00 2.04 2.06 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 2.59 2.22 0.00 109 E 8.39 3.96 0.00 2.15 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 2.24 2.19 0.00 110 Q 7.31 4.29 0.00 1.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 111 N 9.33 5.15 0.00 2.84 2.95 0.00 0.00 6.43 7.53 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 0.00 112 L 7.95 5.51 0.00 1.58 1.61 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.98 4.99 2.22 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 0.97 0.00 0.00 1.13 0.00 0.00 114 A 9.29 5.65 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 0.00 115 Y 8.40 5.41 0.00 3.26 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 0.00 116 P 0.00 5.05 0.00 2.20 2.17 0.00 3.99 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 2.13 2.08 0.00 117 H 9.57 4.80 0.00 3.32 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 9.36 4.05 0.00 2.90 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 0.00 119 G 8.48 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 0.00 0.00 0.00 120 K 7.72 4.65 0.00 1.56 1.29 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.49 7.81 121 I 7.58 4.58 1.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.18 0.00 0.00 122 F 8.42 4.73 0.00 2.07 2.61 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 0.00 123 F 9.06 5.82 0.00 3.14 3.04 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 0.00 0.00 0.00 124 C 9.42 5.57 0.00 3.31 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 0.00 125 T 8.82 4.62 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 1.44 0.00 0.00 126 S 9.14 4.57 0.00 3.95 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 0.00 127 Q 7.70 4.61 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 128 D 8.85 4.74 0.00 2.61 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 0.00 129 I 8.94 4.48 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.93 0.95 0.00 0.00 130 P 0.00 4.81 0.00 1.98 2.04 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 131 P 0.00 4.35 0.00 1.98 2.02 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 132 E 9.10 4.03 0.00 2.16 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 0.00 2.23 2.34 0.00 133 N 8.14 5.18 0.00 2.83 2.64 0.00 0.00 6.68 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 0.00 134 E 7.63 3.58 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 1.87 1.48 0.00 135 L 8.82 4.35 0.00 1.63 1.65 0.95 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 136 L 9.38 4.93 0.00 1.55 1.38 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.60 5.27 0.00 2.65 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 0.00 138 Y 8.81 4.52 0.00 2.89 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 0.00 139 Y 6.80 4.98 0.00 2.80 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 0.00 140 S 9.32 4.55 0.00 3.96 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 0.00 141 R 8.59 4.22 0.00 1.85 1.76 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 * Residues marked with a * may have inaccurate shift predictions.