NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2919 8.2493 123.5817 52.3845 20.0198 175.1224 3 T 4.7095 8.7398 109.2340 57.4044 71.8793 169.6803 4 V 3.2493 8.6337 120.7652 66.2941 32.0998 178.7160 5 Y 4.2834 7.6327 115.3776 60.0328 37.7620 176.0915 6 D 4.8733 8.0101 118.1453 53.9712 41.3916 176.3493 7 V 4.5555 7.1356 110.7462 57.6628 35.9018 174.0779 8 P 4.4910 0.0000 0.0000 62.6784 32.9454 177.7190 9 G 3.5896 8.6471 108.0945 47.8602 0.0000 175.6281 10 D 4.3808 7.9960 121.1823 56.4470 39.5391 178.6386 11 L 4.0181 7.8255 120.5012 56.8254 41.6286 179.0721 12 L 3.7990 7.9278 120.4370 58.1564 41.9874 179.1638 13 V 3.4487 7.9647 118.5066 65.7500 31.4754 177.3928 14 E 3.4093 8.1074 118.9699 59.4700 29.6017 179.2329 15 R 3.8418 7.8497 117.8876 58.9929 29.9798 179.2323 16 V 3.3431 8.0249 118.3731 65.7206 31.2687 177.7274 17 A 3.9781 7.6785 119.7638 55.4422 18.1302 179.2913 18 Q 3.9479 7.6648 115.7748 59.2420 28.8275 179.4139 19 R 3.9698 7.8205 118.5234 59.0628 30.0722 179.0351 20 L 4.2397 8.4078 119.0558 57.4443 41.3173 179.4777 21 K 3.2693 7.2111 117.7951 58.8342 31.9423 178.0573 22 E 4.4566 7.8569 116.0088 55.6304 29.9815 176.1691 23 I 4.2412 7.4403 122.2157 59.1944 37.7628 174.9192 24 P 4.3257 0.0000 0.0000 65.5854 31.3385 177.8336 25 E 4.0191 8.0168 115.9832 58.3080 29.5808 177.0847 26 I 4.6438 7.4281 119.3334 59.2810 35.9032 174.4903 27 K 4.5083 8.4085 123.9482 53.3384 33.7765 174.9199 28 P 3.3138 0.0000 0.0000 62.0436 31.5671 174.9466 29 P 3.6901 0.0000 0.0000 62.3579 32.0053 175.0987 30 E 3.6614 7.5184 118.3203 57.5268 27.6162 173.2302 31 W 4.9813 7.7779 121.1181 58.7444 31.4671 179.0840 32 A 3.5931 8.0323 120.6482 54.5728 17.8281 177.7925 33 P 4.1588 0.0000 0.0000 65.2979 31.4174 177.2410 34 F 4.4067 8.0140 114.9045 57.9864 39.1221 175.2468 35 V 4.2895 7.6380 121.7415 61.1491 32.6074 175.4013 36 K 4.3508 8.4780 125.6420 58.3061 33.1975 178.8442 37 T 4.0373 7.7041 119.0599 63.4638 67.5622 175.3095 *44 L 4.1470 7.8009 123.3547 55.5573 43.7713 176.7775 45 P 4.4680 0.0000 0.0000 65.3678 31.0292 178.7768 46 E 2.5400 7.8724 115.1455 58.1222 29.2079 178.8049 47 Q 4.2027 7.6985 117.9590 58.4431 29.5243 177.2397 48 E 4.2274 8.2635 118.4569 58.6405 29.8635 178.2872 49 D 5.2793 8.5402 118.7482 53.5173 42.3925 178.4504 50 W 4.5986 8.5775 132.2939 59.8924 30.5385 176.6697 51 W 3.8014 8.5567 127.3608 60.6601 30.1540 177.2844 52 Y 4.0240 7.8601 116.1229 61.3466 37.2962 178.1443 53 Y 3.7896 8.2627 117.5342 60.7590 37.9148 178.5452 54 R 3.3845 7.6448 119.9856 59.2261 29.9931 178.8120 55 V 3.0405 7.0915 118.0779 65.5594 31.4084 177.6952 56 A 3.8829 7.8388 120.6154 55.2082 18.1289 179.5132 57 S 4.0195 8.0677 111.6524 61.6692 62.3945 176.5050 58 I 3.8705 7.6484 123.8136 63.6278 36.8105 178.1272 59 L 3.9174 8.1717 121.6349 58.2092 41.9337 178.9886 60 R 3.7256 8.0123 118.6005 59.4085 29.8763 178.4571 61 R 3.7886 8.2471 118.6993 59.2735 29.9837 178.6857 62 V 3.5529 8.1246 118.4422 66.0080 31.3108 177.1477 63 Y 4.0503 7.8560 118.2013 61.0098 38.6454 178.0905 64 L 4.3069 8.0923 118.3604 57.0608 41.9077 177.6182 65 D 4.8160 8.1616 116.0201 53.9557 42.5509 176.9663 66 G 3.8367 7.9712 106.9345 45.6667 0.0000 171.9610 67 P 5.5335 0.0000 0.0000 61.7227 32.4831 176.2990 68 V 4.4812 8.2734 122.0749 60.3098 35.0710 174.9329 69 G 4.2558 8.6984 112.6323 44.4012 0.0000 174.6416 70 I 3.7584 8.4721 119.9038 64.5984 36.9957 178.4929 71 E 4.0165 8.2702 119.4728 59.1627 29.5118 178.5206 72 R 3.9907 8.0981 118.4371 59.4576 30.2050 178.3435 73 L 4.1158 8.1609 118.8012 57.7428 41.7335 179.4227 74 R 3.9751 8.3856 119.1523 59.7961 29.8357 178.7701 75 T 4.0155 8.1637 108.5571 64.6173 68.8685 175.6441 76 Y 4.1049 8.0696 121.9435 60.9288 39.0442 177.4567 77 Y 4.2954 8.3704 117.0666 59.0462 38.2366 176.2811 78 G 3.9141 7.4329 108.4538 45.5089 0.0000 173.0416 79 G 3.8539 8.4937 109.5117 45.5230 0.0000 173.8425 *84 G 3.6561 7.9788 107.9449 44.9075 0.0000 172.9018 85 H 4.4710 8.9155 124.6019 56.2051 30.7373 175.9309 86 A 4.7875 9.1922 129.7763 50.8791 20.5372 174.6343 87 P 4.4198 0.0000 0.0000 64.6438 32.0562 178.5459 88 E 4.1229 7.9972 116.6071 57.2187 29.9893 176.6964 89 R 4.0714 7.6409 119.5540 55.3401 30.6931 175.6912 90 F 3.8913 8.7436 125.7872 58.1659 39.1149 174.5240 91 Y 4.5261 8.0949 126.6877 58.6520 38.6255 177.6021 92 K 4.4840 8.5132 126.1398 55.6921 35.7447 176.7319 93 A 3.9140 8.6384 120.5797 56.2275 18.3176 180.3405 94 G 3.6505 8.0277 103.7374 47.8821 0.0000 176.0388 95 G 2.7466 7.6945 107.9063 47.3076 0.0000 175.7550 96 S 4.3282 8.0282 117.3958 61.3175 62.7561 176.8693 97 I 4.3402 8.1207 122.4979 64.7158 36.9411 178.4445 98 I 3.7118 7.7352 120.3444 64.5107 36.9826 178.6854 99 R 4.0250 8.3982 119.0369 59.3046 29.9209 179.1415 100 K 4.3385 8.8526 120.5633 58.8592 32.1390 178.6154 101 A 4.0398 8.5285 121.2362 55.3852 18.2228 179.6917 102 L 3.9696 8.2214 117.4754 57.8530 41.3697 179.7590 103 Q 4.0117 8.3074 118.0890 59.1597 28.6416 178.9563 104 Q 4.0933 8.3520 119.0627 58.9946 28.6906 178.7943 105 L 4.0479 8.2575 120.2852 57.7575 41.6068 179.5105 106 E 4.2286 8.7612 119.9017 58.8770 29.2125 179.1751 107 A 3.9506 7.9817 119.5731 54.8854 18.5218 178.7964 108 A 3.9007 7.7353 116.7652 52.3116 18.5923 178.3914 109 G 3.7791 7.6716 105.4187 45.5656 0.0000 174.4639 110 F 4.9873 8.2508 119.8058 58.4049 40.3667 176.0986 111 V 5.2005 7.7758 110.6604 59.5466 36.2367 174.2255 112 E 4.7329 9.0488 119.4437 54.7409 33.6093 174.1880 113 K 4.5929 8.5971 119.9086 55.5942 33.6772 176.3477 114 V 4.3093 8.6259 125.2403 60.1947 33.6321 173.2166 115 P 4.3324 0.0000 0.0000 64.4567 31.4355 176.8350 116 G 3.9811 9.0192 110.5444 45.7756 0.0000 172.9367 117 K 4.2919 9.0425 116.2897 58.9244 34.4175 176.5886 118 G 3.8790 7.5933 103.2009 43.8018 0.0000 172.0150 119 R 4.8011 8.5387 119.6621 56.0566 31.4363 176.6556 120 V 4.8387 8.6216 115.2022 59.2346 36.1901 174.8017 121 I 4.4233 8.3109 123.4682 61.3046 38.7562 175.7199 122 T 4.3689 8.7222 119.4304 60.2658 70.4860 173.8783 123 P 4.2828 0.0000 0.0000 65.6843 31.2017 178.9196 124 K 4.1378 8.1556 118.1296 59.4650 32.2741 179.0082 125 G 3.4172 8.4716 106.2143 47.6358 0.0000 175.6893 126 R 4.1247 8.4814 121.5269 59.4873 30.0610 178.8884 127 S 4.1467 8.3954 115.1519 61.2747 62.6554 176.2814 128 F 4.1126 8.2654 123.4341 61.4277 39.0042 177.2247 129 L 3.6571 7.9669 118.3417 57.9129 40.9103 179.3969 130 D 4.2670 8.3576 118.9762 56.8967 40.6780 178.7305 131 K 3.9096 8.2373 120.6467 59.5755 32.1489 179.0101 132 I 3.5261 7.2839 119.6647 64.1202 36.8726 178.2076 133 A 3.8606 8.0733 121.9665 55.4502 18.1558 179.8107 134 T 3.7798 8.0975 114.4006 66.7331 68.5222 176.7240 135 E 3.8857 8.0475 120.4603 59.3444 29.4237 179.1913 136 L 3.9035 8.0013 120.4463 57.8804 42.0989 178.8380 137 K 3.8661 8.3401 119.9704 59.4876 32.1719 178.8418 138 K 3.9186 7.9581 118.7004 59.3610 31.8910 178.8950 139 E 3.8707 8.1821 119.4286 59.3202 29.6023 178.7783 140 L 3.9704 8.1130 119.2050 58.0298 41.4763 179.4649 141 E 3.9904 8.1184 117.2956 59.0542 29.3687 178.8276 142 E 4.0991 7.7729 118.5909 59.0950 30.2952 178.5096 143 I 3.8910 8.0097 120.0653 64.3984 37.3880 178.4395 144 I 3.6874 7.6437 120.4994 64.0681 36.8159 176.8726 145 P 4.3733 0.0000 0.0000 64.5254 31.2644 177.3643 146 E 4.3995 7.6291 115.0990 55.2135 30.2834 176.3077 147 L 4.1188 7.0381 119.5372 53.9692 42.3445 177.0558 148 K 4.0202 8.3018 123.0715 56.5315 32.9317 177.1713 149 K 3.7949 8.3676 124.4581 58.9273 32.2629 176.8546 150 Y 4.5078 7.2578 118.9936 58.1652 38.7290 175.2113 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 2 A 8.25 4.29 1.25 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 0.00 0.00 0.00 3 T 8.74 4.71 4.55 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 1.33 0.00 0.00 4 V 8.63 3.25 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 0.35 0.00 0.00 -0.15 0.00 0.00 5 Y 7.63 4.28 0.00 3.11 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 6 D 8.01 4.87 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.14 4.56 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 0.70 0.00 0.00 0.88 0.00 0.00 8 P 0.00 4.49 0.00 2.45 2.16 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 9 G 8.65 3.59 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 0.00 0.00 0.00 10 D 8.00 4.38 0.00 2.92 2.97 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 11 L 7.83 4.02 0.00 1.68 1.72 0.91 0.52 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 12 L 7.93 3.80 0.00 1.72 1.67 0.72 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.96 3.45 2.24 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 0.98 0.00 0.00 0.92 0.00 0.00 14 E 8.11 3.41 0.00 2.18 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 2.28 2.48 0.00 15 R 7.85 3.84 0.00 1.73 1.82 0.00 3.28 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 16 V 8.02 3.34 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 1.09 0.00 0.00 0.73 0.00 0.00 17 A 7.68 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.66 3.95 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 19 R 7.82 3.97 0.00 1.98 2.10 0.00 3.26 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 20 L 8.41 4.24 0.00 1.96 1.95 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.21 3.27 0.00 1.60 1.58 0.00 1.49 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.91 7.81 22 E 7.86 4.46 0.00 2.09 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 2.30 2.31 0.00 23 I 7.44 4.24 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.86 0.78 0.00 0.00 24 P 0.00 4.33 0.00 2.02 2.12 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 2.00 2.11 0.00 25 E 8.02 4.02 0.00 1.86 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 2.23 2.34 0.00 26 I 7.43 4.64 2.29 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 1.37 1.96 1.11 0.00 0.00 27 K 8.41 4.51 0.00 1.62 1.62 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.56 7.81 28 P 0.00 3.31 0.00 1.90 1.88 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.56 0.00 29 P 0.00 3.69 0.00 0.49 0.58 0.00 2.69 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.44 0.00 30 E 7.52 3.66 0.00 2.08 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 2.35 2.29 0.00 31 W 7.78 4.98 0.00 3.47 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 32 A 8.03 3.59 0.67 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 33 P 0.00 4.16 0.00 1.72 1.97 0.00 3.73 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 1.97 2.09 0.00 34 F 8.01 4.41 0.00 3.20 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 35 V 7.64 4.29 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 0.74 0.00 0.00 0.84 0.00 0.00 36 K 8.48 4.35 0.00 1.77 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.44 7.81 37 T 7.70 4.04 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 *44 L 7.80 4.15 0.00 1.68 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.47 0.00 2.24 2.26 0.00 3.57 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 46 E 7.87 2.54 0.00 1.54 1.63 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 2.21 2.27 0.00 47 Q 7.70 4.20 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.10 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 48 E 8.26 4.23 0.00 1.99 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 0.00 2.46 2.53 0.00 49 D 8.54 5.28 0.00 3.18 3.13 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 50 W 8.58 4.60 0.00 3.60 3.36 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 0.00 51 W 8.56 3.80 0.00 3.41 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 52 Y 7.86 4.02 0.00 3.32 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 53 Y 8.26 3.79 0.00 3.11 2.96 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 54 R 7.64 3.38 0.00 0.78 0.95 0.00 2.72 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.85 0.00 55 V 7.09 3.04 1.60 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 0.86 0.00 0.00 -0.43 0.00 0.00 56 A 7.84 3.88 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 57 S 8.07 4.02 0.00 3.96 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 58 I 7.65 3.87 1.68 0.00 0.00 0.50 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 0.65 0.88 0.00 0.00 59 L 8.17 3.92 0.00 1.79 1.78 0.94 0.65 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 60 R 8.01 3.73 0.00 1.77 2.00 0.00 2.98 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.35 0.00 61 R 8.25 3.79 0.00 2.07 2.10 0.00 2.21 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.44 0.00 62 V 8.12 3.55 2.24 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 1.05 0.00 0.00 1.02 0.00 0.00 63 Y 7.86 4.05 0.00 3.00 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 64 L 8.09 4.31 0.00 1.64 1.73 0.83 0.70 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 65 D 8.16 4.82 0.00 2.67 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 66 G 7.97 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 67 P 0.00 5.53 0.00 2.08 1.99 0.00 3.70 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 68 V 8.27 4.48 2.23 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 0.90 0.00 0.00 0.93 0.00 0.00 69 G 8.70 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 0.00 0.00 0.00 0.00 70 I 8.47 3.76 2.02 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 1.63 0.70 1.21 0.00 0.00 71 E 8.27 4.02 0.00 2.19 1.99 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 2.07 2.33 0.00 72 R 8.10 3.99 0.00 2.00 2.13 0.00 3.26 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 73 L 8.16 4.12 0.00 2.03 1.92 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.39 3.98 0.00 1.87 2.03 0.00 2.78 0.00 0.00 2.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 75 T 8.16 4.02 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 1.35 0.00 0.00 76 Y 8.07 4.10 0.00 2.97 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 77 Y 8.37 4.30 0.00 3.16 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 78 G 7.43 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 79 G 8.49 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 *84 G 7.98 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 0.00 0.00 0.00 85 H 8.92 4.47 0.00 3.13 3.28 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.19 4.79 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 87 P 0.00 4.42 0.00 2.19 2.19 0.00 3.77 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 2.00 2.03 0.00 88 E 8.00 4.12 0.00 1.98 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 2.28 2.24 0.00 89 R 7.64 4.07 0.00 1.86 2.05 0.00 3.35 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 90 F 8.74 3.89 0.00 3.03 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 91 Y 8.09 4.53 0.00 2.79 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 92 K 8.51 4.48 0.00 1.81 1.76 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.59 7.81 93 A 8.64 3.91 1.22 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 0.00 0.00 94 G 8.03 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 0.00 0.00 0.00 95 G 7.69 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 0.00 0.00 0.00 96 S 8.03 4.33 0.00 3.96 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 97 I 8.12 4.34 2.26 0.00 0.00 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 2.42 1.20 1.04 0.00 0.00 98 I 7.74 3.71 2.01 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 1.75 0.97 0.98 0.00 0.00 99 R 8.40 4.02 0.00 2.03 2.11 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.09 0.00 100 K 8.85 4.34 0.00 2.03 2.11 0.00 0.62 0.00 0.00 1.05 0.00 0.00 2.91 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.53 1.30 7.81 101 A 8.53 4.04 1.15 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 0.00 102 L 8.22 3.97 0.00 1.76 1.95 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.31 4.01 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 104 Q 8.35 4.09 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 105 L 8.26 4.05 0.00 1.75 1.80 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.76 4.23 0.00 2.22 1.99 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 2.46 2.31 0.00 107 A 7.98 3.95 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 0.00 108 A 7.74 3.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.67 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 0.00 110 F 8.25 4.99 0.00 3.00 2.81 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 0.00 111 V 7.78 5.20 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 0.97 0.00 0.00 0.95 0.00 0.00 112 E 9.05 4.73 0.00 1.98 1.99 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 2.19 2.28 0.00 113 K 8.60 4.59 0.00 1.67 1.79 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.55 7.81 114 V 8.63 4.31 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 0.98 0.00 0.00 0.93 0.00 0.00 115 P 0.00 4.33 0.00 2.08 2.02 0.00 3.81 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 2.04 2.11 0.00 116 G 9.02 3.98 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 0.00 0.00 0.00 117 K 9.04 4.29 0.00 1.87 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.48 7.81 118 G 7.59 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 0.00 119 R 8.54 4.80 0.00 1.99 1.87 0.00 3.14 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 120 V 8.62 4.84 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 0.68 0.00 0.00 0.93 0.00 0.00 121 I 8.31 4.42 1.91 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 1.51 1.04 0.81 0.00 0.00 122 T 8.72 4.37 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 0.00 123 P 0.00 4.28 0.00 2.20 2.17 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 124 K 8.16 4.14 0.00 1.90 2.09 0.00 1.75 0.00 0.00 2.02 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.84 1.65 7.81 125 G 8.47 3.42 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 0.00 0.00 0.00 0.00 126 R 8.48 4.12 0.00 1.93 2.11 0.00 3.06 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 127 S 8.40 4.15 0.00 4.17 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 0.00 128 F 8.27 4.11 0.00 2.94 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 0.00 129 L 7.97 3.66 0.00 1.75 1.34 0.72 0.76 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 0.00 130 D 8.36 4.27 0.00 2.76 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 0.00 131 K 8.24 3.91 0.00 1.83 1.87 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.43 7.81 132 I 7.28 3.53 1.62 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.04 0.68 0.00 0.00 133 A 8.07 3.86 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 0.00 134 T 8.10 3.78 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 1.18 0.00 0.00 135 E 8.05 3.89 0.00 2.12 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 2.28 2.38 0.00 136 L 8.00 3.90 0.00 1.66 1.80 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.34 3.87 0.00 1.95 1.92 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 138 K 7.96 3.92 0.00 2.01 1.82 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.57 7.81 139 E 8.18 3.87 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 2.28 2.33 0.00 140 L 8.11 3.97 0.00 1.83 1.69 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.12 3.99 0.00 2.08 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 2.52 2.45 0.00 142 E 7.77 4.10 0.00 1.97 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 2.30 2.33 0.00 143 I 8.01 3.89 1.92 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 1.51 0.99 0.90 0.00 0.00 144 I 7.64 3.69 1.99 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 1.51 0.93 0.89 0.00 0.00 145 P 0.00 4.37 0.00 2.00 2.10 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 146 E 7.63 4.40 0.00 2.07 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 0.00 2.48 2.46 0.00 147 L 7.04 4.12 0.00 1.60 1.56 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.30 4.02 0.00 1.67 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.43 7.81 149 K 8.37 3.79 0.00 0.79 0.74 0.00 1.51 0.00 0.00 1.42 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.14 1.19 7.81 150 Y 7.26 4.51 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.