NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.7084 8.1648 122.9826 52.6432 19.4386 176.1492 2 T 4.2102 7.5309 119.1967 62.3505 70.6683 172.4556 3 K 5.3183 8.8338 123.3462 55.2477 37.5374 174.5810 4 A 5.2189 8.8403 122.4692 51.3590 23.2429 175.3853 5 V 5.0238 9.0171 118.0697 61.0415 35.7564 173.3272 6 C 4.9060 9.0598 121.0137 58.1840 35.5095 172.4735 7 V 4.6825 8.4969 125.9367 61.3604 33.3790 174.0041 8 L 5.0296 8.8948 128.7675 53.6390 43.4293 175.9651 9 K 4.8358 9.1635 122.1812 55.7014 37.1961 176.1222 10 G 3.8771 7.9298 108.0454 45.9184 0.0000 172.2006 11 D 4.5476 8.7998 118.0825 55.4949 41.8771 176.8977 12 G 4.2087 7.6156 109.1756 44.1272 0.0000 171.6399 13 P 4.4706 0.0000 0.0000 63.2860 32.1399 176.1861 14 V 4.1805 7.5666 120.7775 63.1739 32.0033 174.9271 15 Q 4.9821 8.0824 124.3161 56.4380 32.4082 173.7311 16 G 4.1349 7.9073 106.0240 46.4082 0.0000 171.5289 17 I 5.1926 7.9916 119.2042 59.6134 41.2686 175.0239 18 I 4.6125 8.6748 127.0228 59.4245 40.6952 174.3522 19 N 5.1961 8.3830 122.3563 51.2785 42.1003 173.5362 20 F 5.4355 9.0533 119.5052 55.9861 43.6818 173.8341 21 E 5.1524 9.4200 122.2106 55.2561 33.5145 173.6463 22 Q 4.9350 9.2548 127.7667 54.1052 30.5733 175.6580 23 K 4.1245 8.8936 126.1684 58.3049 32.7947 177.6286 24 E 4.7200 7.7621 117.5112 54.1971 33.2436 176.1522 25 S 4.0311 8.7517 118.5412 61.1823 62.4968 175.0487 26 N 4.8549 8.1657 113.8408 52.4007 37.2754 174.4351 27 G 4.0004 8.1963 109.3098 44.0030 0.0000 171.9351 28 P 4.7164 0.0000 0.0000 62.3319 32.5912 176.2821 29 V 4.6614 8.9895 121.4855 61.2772 34.0547 174.4966 30 K 5.0619 9.5577 128.2429 55.4562 34.0252 176.0637 31 V 4.9995 8.7170 124.0871 59.6641 34.4186 174.6294 32 W 5.2849 8.2918 120.4953 55.0353 32.0330 174.7799 33 G 3.7695 7.5483 106.2938 46.1566 0.0000 171.7264 34 S 5.0840 7.8071 114.4211 57.3404 66.7844 173.4875 35 I 5.1113 8.7352 121.5375 59.4290 40.9303 174.7342 36 K 4.8462 9.4039 124.7601 55.6170 36.3355 176.8916 37 G 3.9239 8.9307 106.7733 45.6393 0.0000 173.4456 38 L 4.4452 7.7805 119.8202 53.2468 42.9812 176.4602 39 T 4.4508 8.1315 111.3251 60.7739 69.7642 174.2212 40 E 4.1168 8.6681 124.4156 57.3162 30.3104 175.4938 41 G 3.7394 8.5024 111.0625 43.8256 0.0000 172.1811 42 L 4.7389 8.1513 119.4417 54.8249 42.7103 176.6950 43 H 5.0126 9.1820 119.6216 53.7260 33.2128 173.3098 44 G 4.0595 9.3350 111.2167 46.8335 0.0000 172.4072 45 F 5.6339 9.3091 124.5536 56.5632 42.2475 173.5927 46 R 5.1107 8.9243 124.4006 54.4848 35.4692 174.2766 47 V 4.6112 8.5382 121.1257 61.9386 33.2306 174.7939 48 H 5.1266 9.3519 125.4185 54.0573 30.9853 175.4493 49 E 3.6785 8.8346 122.1932 58.6759 30.0934 177.3627 50 F 5.0579 8.2428 118.2720 55.6955 41.4432 176.2074 51 G 4.8742 8.5269 114.4663 44.4767 0.0000 173.8618 52 D 4.7849 7.9624 117.9091 52.5730 42.6941 174.4572 53 N 5.1372 8.5971 124.4072 53.4319 39.4399 175.0876 54 T 3.9137 8.6260 109.8509 63.6186 69.1184 174.2317 55 A 4.6719 8.2126 123.8077 51.0169 19.6618 176.2814 56 G 3.8900 7.7823 112.3178 46.1065 0.0000 174.4955 57 C 4.5490 8.5479 114.9396 59.2221 34.9166 175.6828 58 T 3.8527 7.8263 117.9340 66.6710 67.9330 176.0848 59 S 4.3742 7.6142 113.4735 60.3010 63.0509 175.9426 60 A 4.7061 7.3993 125.1076 54.4858 18.2338 178.4517 61 G 3.7750 8.2695 105.0570 44.3935 0.0000 171.1817 62 P 4.6499 0.0000 0.0000 62.4338 33.0417 175.7216 63 H 4.2811 8.7610 117.2685 56.4333 29.8375 175.4868 64 F 4.5557 8.6770 122.7319 56.8575 39.7354 174.2786 65 N 4.7070 7.8607 125.9658 50.9325 38.4997 172.8793 66 P 4.4204 0.0000 0.0000 63.5619 31.7714 177.6052 67 L 4.4741 7.4524 117.2189 54.0586 42.8076 177.1106 68 S 3.5590 7.6276 113.0439 59.8702 60.0214 170.9828 69 R 4.6261 7.4400 117.6447 54.0898 32.9783 176.8273 70 K 4.4087 8.0629 119.1364 55.9391 33.1235 176.7967 71 H 3.7688 8.6592 122.4053 57.3347 30.2094 174.8059 72 G 4.5626 7.6282 111.0529 43.8804 0.0000 171.3428 73 G 4.2842 8.3094 107.8552 42.6389 0.0000 172.5900 74 P 4.2171 0.0000 0.0000 65.3803 31.2550 178.0531 75 K 4.3042 7.8139 114.1633 57.1189 32.8150 176.8733 76 D 4.4145 7.6486 119.7323 53.9425 41.0868 175.4671 77 E 3.8292 8.8579 125.5348 59.0638 29.8455 176.6451 78 E 4.3999 7.9737 123.6319 54.7108 29.7488 174.9057 79 R 4.9293 7.9328 121.3306 54.8154 32.8087 174.4098 80 H 4.6215 8.7037 115.9562 55.3141 29.4977 177.0333 81 V 3.4469 8.3623 122.5488 66.3953 31.3199 177.4889 82 G 3.8864 8.5406 105.4111 47.6064 0.0000 172.9455 83 D 4.8910 8.0158 121.5175 53.9212 40.8488 176.0149 84 L 4.5474 8.5708 122.9598 53.0565 42.7424 177.8519 85 G 4.1033 8.6486 110.0852 45.8259 0.0000 175.0647 86 N 5.6784 8.6169 120.8357 51.3247 42.7598 172.6487 87 V 4.4345 8.7231 112.7388 59.8875 35.8273 174.9206 88 T 5.0672 8.3412 119.1662 61.8262 71.3736 172.8310 89 A 4.9595 9.1750 129.1673 50.3403 21.3501 177.2235 90 D 4.7149 8.9845 123.0430 52.1702 41.0653 177.0895 91 K 3.9532 8.5266 117.2532 59.8298 32.4333 177.1715 92 D 4.5354 8.9162 118.3022 54.0400 41.0720 177.1271 93 G 4.3675 8.4950 108.3067 44.7243 0.0000 172.7401 94 V 4.8086 7.7284 119.1847 60.7453 34.1334 174.0952 95 A 5.3375 9.1300 129.4763 49.3941 21.2980 174.5087 96 D 4.8397 8.6919 123.0512 53.3048 42.5847 175.5492 97 V 4.3497 8.9039 126.2541 61.3239 34.2791 174.7473 98 S 4.8976 8.3281 121.1078 58.0321 64.5083 173.2320 99 I 4.8814 8.9461 127.5132 59.9108 42.3057 173.9660 100 E 5.1048 8.6272 123.4583 54.9314 32.5179 173.8160 101 D 5.0075 9.4328 126.2295 52.3630 44.9178 175.6490 102 S 4.7854 8.8345 117.9362 58.2352 63.7179 174.7052 103 V 4.0209 9.4024 122.9264 65.1901 31.8389 176.6853 104 I 4.1179 7.7709 110.8542 61.0867 38.4126 174.4236 105 S 4.6473 8.4671 114.0055 57.5346 65.3717 174.1590 106 L 4.4817 9.0271 123.6868 54.2284 41.5125 176.3623 107 S 4.4362 7.8588 111.8925 58.5584 66.3177 175.8992 108 G 3.8412 8.4539 108.5886 44.8958 0.0000 173.6236 109 D 4.4475 8.7259 117.2861 57.2168 41.0607 176.9591 110 H 5.0290 8.0943 114.5025 55.3684 29.0728 173.6738 111 C 4.8950 8.2202 120.5477 59.5310 31.5801 173.4501 112 I 3.8252 8.1044 118.8763 60.3374 37.9257 175.1879 113 I 3.8654 7.2010 122.9828 62.7289 37.5592 176.2900 114 G 3.8382 9.2162 113.9478 44.9404 0.0000 172.8014 115 R 4.8133 7.3364 118.3017 54.8453 33.6859 174.6078 116 T 4.9724 7.9587 115.9018 62.0675 71.3126 173.7122 117 L 4.9417 8.5700 127.5528 53.5388 44.3436 175.3039 118 V 4.9757 9.0905 125.4791 60.9539 35.6246 174.1741 119 V 5.1055 8.4283 125.6431 60.4361 33.6242 174.8932 120 H 5.0836 9.3876 122.7665 54.5443 29.9108 175.1891 121 E 4.1860 9.5084 122.0459 58.9168 29.9999 176.9985 122 K 4.7619 9.0613 118.5335 53.8831 35.6214 175.8651 123 A 4.5190 8.3994 123.0281 52.1742 19.3008 176.6134 124 D 4.8179 10.3510 121.5632 53.1425 41.6716 176.1247 125 D 4.5767 9.4708 125.1608 53.1762 39.5324 176.7173 126 L 3.4598 10.2221 119.2024 56.0983 39.6438 175.4349 127 G 3.9632 8.7654 104.5094 46.0802 0.0000 174.8402 128 K 4.5333 8.1769 117.4365 56.0071 32.2911 177.5039 129 G 3.7252 7.8879 108.1958 45.5346 0.0000 175.6521 130 G 3.9291 8.6738 107.8197 45.3696 0.0000 172.4780 131 N 5.0473 7.4744 115.4953 51.2262 40.1718 173.5054 132 E 4.1798 8.7082 115.9285 59.1459 30.1924 178.4097 133 E 4.0549 8.4952 118.6333 59.5205 30.1778 178.6329 134 S 4.4628 8.8760 114.3673 61.8315 62.4693 175.9664 135 T 4.3462 7.9497 107.2335 62.3447 69.0456 175.3029 136 K 4.2288 8.9201 122.3544 58.1886 33.5595 178.3174 137 T 4.4307 7.2717 107.1623 61.1684 69.5566 174.0148 138 G 4.1026 8.9318 107.5909 46.5312 0.0000 173.8940 139 N 4.1636 7.4445 112.1082 54.0183 36.5611 175.3760 140 A 4.2859 8.1207 121.0311 53.1076 19.2255 179.2646 141 G 4.1815 8.0681 103.2557 44.0960 0.0000 172.9614 142 S 4.3508 8.3408 112.6839 58.5586 64.3413 174.1625 143 R 4.4091 8.3748 120.2843 55.5858 29.7153 176.5485 144 L 4.2581 8.7657 125.7012 57.6117 42.8537 177.1703 145 A 4.7844 7.6066 117.7705 51.6075 22.8412 173.7078 146 C 5.4081 8.5219 113.4106 56.3159 46.9295 172.6789 147 G 4.9322 7.9408 103.5923 46.3457 0.0000 172.8158 148 V 4.4104 8.3339 120.7972 62.1913 32.9877 175.6447 149 I 4.2234 8.6482 128.4270 60.5929 38.0244 175.3576 150 G 4.4143 8.8096 114.9102 43.8747 0.0000 171.8939 151 I 4.3076 8.2576 121.2230 61.2057 37.4474 175.7660 152 A 4.7793 8.3309 128.6109 49.7509 21.9185 176.3524 153 Q 4.0724 8.4768 118.7482 56.4489 29.2235 175.9147 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 8.16 4.71 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 2 T 7.53 4.21 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 3 K 8.83 5.32 0.00 1.71 1.73 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.54 1.49 7.81 4 A 8.84 5.22 1.06 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 0.00 0.00 5 V 9.02 5.02 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 0.79 0.00 0.00 0.97 0.00 0.00 6 C 9.06 4.91 0.00 3.12 2.91 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 7 V 8.50 4.68 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.89 5.03 0.00 1.79 1.58 0.99 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.16 4.84 0.00 1.62 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.93 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 11 D 8.80 4.55 0.00 2.68 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 12 G 7.62 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.18 2.17 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 14 V 7.57 4.18 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 0.79 0.00 0.00 0.95 0.00 0.00 15 Q 8.08 4.98 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.45 2.14 0.00 16 G 7.91 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 0.00 0.00 0.00 17 I 7.99 5.19 1.82 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 1.21 1.51 0.84 0.00 0.00 18 I 8.67 4.61 1.82 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 1.26 1.35 0.43 0.00 0.00 19 N 8.38 5.20 0.00 1.44 1.58 0.00 0.00 6.70 8.19 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 20 F 9.05 5.44 0.00 2.84 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 21 E 9.42 5.15 0.00 2.49 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 2.33 2.41 0.00 22 Q 9.25 4.93 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 23 K 8.89 4.12 0.00 1.81 1.89 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.50 7.81 24 E 7.76 4.72 0.00 1.98 1.79 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 2.30 2.28 0.00 25 S 8.75 4.03 0.00 3.83 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 26 N 8.17 4.85 0.00 2.85 2.85 0.00 0.00 5.91 7.00 0.00 0.00 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 G 8.20 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 0.00 0.00 0.00 28 P 0.00 4.72 0.00 2.00 2.04 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 8.99 4.66 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 1.32 0.00 0.00 1.06 0.00 0.00 30 K 9.56 5.06 0.00 1.95 1.92 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.45 7.81 31 V 8.72 5.00 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 0.91 0.00 0.00 0.87 0.00 0.00 32 W 8.29 5.28 0.00 3.53 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.55 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 0.00 0.00 0.00 34 S 7.81 5.08 0.00 3.97 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 35 I 8.74 5.11 1.81 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 1.28 0.76 0.89 0.00 0.00 36 K 9.40 4.85 0.00 1.71 1.86 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.34 7.81 37 G 8.93 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 0.00 0.00 0.00 38 L 7.78 4.45 0.00 1.95 1.55 0.75 0.43 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 39 T 8.13 4.45 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 1.24 0.00 0.00 40 E 8.67 4.12 0.00 2.04 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 2.30 2.49 0.00 41 G 8.50 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 42 L 8.15 4.74 0.00 1.49 1.58 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.18 5.01 0.00 3.04 3.30 0.00 5.63 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 44 G 9.33 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 0.00 0.00 0.00 45 F 9.31 5.63 0.00 3.03 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 46 R 8.92 5.11 0.00 1.78 1.74 0.00 2.83 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 47 V 8.54 4.61 2.13 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 0.85 0.00 0.00 0.88 0.00 0.00 48 H 9.35 5.13 0.00 3.06 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.83 3.68 0.00 1.68 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 1.47 1.98 0.00 50 F 8.24 5.06 0.00 3.37 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 51 G 8.53 4.87 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 52 D 7.96 4.78 0.00 2.63 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.60 5.14 0.00 2.68 2.72 0.00 0.00 7.25 7.70 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 54 T 8.63 3.91 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 1.20 0.00 0.00 55 A 8.21 4.67 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 56 G 7.78 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 0.00 0.00 0.00 57 C 8.55 4.55 0.00 2.95 3.08 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 58 T 7.83 3.85 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 59 S 7.61 4.37 0.00 4.16 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 60 A 7.40 4.71 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 61 G 8.27 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 0.00 0.00 0.00 62 P 0.00 4.65 0.00 2.11 2.23 0.00 3.76 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 2.04 2.02 0.00 63 H 8.76 4.28 0.00 3.00 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.68 4.56 0.00 2.91 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 65 N 7.86 4.71 0.00 2.45 2.38 0.00 0.00 6.87 7.71 0.00 0.00 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 P 0.00 4.42 0.00 2.07 1.89 0.00 3.01 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.27 0.00 67 L 7.45 4.47 0.00 1.48 1.60 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.63 3.56 0.00 3.89 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 69 R 7.44 4.63 0.00 1.83 1.83 0.00 3.14 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 70 K 8.06 4.41 0.00 1.74 1.75 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.44 7.81 71 H 8.66 3.77 0.00 3.26 3.22 0.00 5.89 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 72 G 7.63 4.56 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 0.00 0.00 0.00 73 G 8.31 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 0.00 0.00 0.00 0.00 74 P 0.00 4.22 0.00 2.07 2.20 0.00 3.67 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 2.07 2.25 0.00 75 K 7.81 4.30 0.00 1.74 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 76 D 7.65 4.41 0.00 2.93 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 E 8.86 3.83 0.00 1.89 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 2.30 2.39 0.00 78 E 7.97 4.40 0.00 2.02 1.81 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 2.31 2.27 0.00 79 R 7.93 4.93 0.00 1.83 1.96 0.00 3.29 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 80 H 8.70 4.62 0.00 3.31 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.36 3.45 1.66 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 0.66 0.00 0.00 0.44 0.00 0.00 82 G 8.54 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 0.00 0.00 0.00 83 D 8.02 4.89 0.00 2.65 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 84 L 8.57 4.55 0.00 1.84 1.90 0.84 0.84 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 85 G 8.65 4.10 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 0.00 0.00 0.00 86 N 8.62 5.68 0.00 2.57 2.70 0.00 0.00 6.54 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.72 4.43 1.79 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 -0.31 0.00 0.00 0.85 0.00 0.00 88 T 8.34 5.07 4.21 0.00 0.00 0.00 0.00 0.00 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 89 A 9.18 4.96 1.27 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 0.00 0.00 0.00 90 D 8.98 4.71 0.00 2.87 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 91 K 8.53 3.95 0.00 1.88 2.12 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.47 7.81 92 D 8.92 4.54 0.00 2.80 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 93 G 8.49 4.37 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 0.00 94 V 7.73 4.81 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 0.96 0.00 0.00 0.92 0.00 0.00 95 A 9.13 5.34 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 96 D 8.69 4.84 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 97 V 8.90 4.35 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 0.68 0.00 0.00 0.61 0.00 0.00 98 S 8.33 4.90 0.00 3.92 3.72 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 99 I 8.95 4.88 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 1.01 0.00 0.00 100 E 8.63 5.10 0.00 1.95 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 2.22 2.35 0.00 101 D 9.43 5.01 0.00 2.79 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 0.00 102 S 8.83 4.79 0.00 4.02 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 0.00 103 V 9.40 4.02 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 0.80 0.00 0.00 0.95 0.00 0.00 104 I 7.77 4.12 1.96 0.00 0.00 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 1.62 0.82 1.05 0.00 0.00 105 S 8.47 4.65 0.00 3.86 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 0.00 106 L 9.03 4.48 0.00 1.76 1.64 1.01 0.63 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 0.00 107 S 7.86 4.44 0.00 3.95 3.80 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 0.00 108 G 8.45 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 0.00 109 D 8.73 4.45 0.00 2.66 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 0.00 110 H 8.09 5.03 0.00 3.23 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.22 4.90 0.00 3.00 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 0.00 112 I 8.10 3.83 1.58 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.23 0.98 0.00 0.00 113 I 7.20 3.87 1.76 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 1.17 0.34 0.82 0.00 0.00 114 G 9.22 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 0.00 115 R 7.34 4.81 0.00 1.54 1.79 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 0.00 116 T 7.96 4.97 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 1.21 0.00 0.00 117 L 8.57 4.94 0.00 1.77 1.51 0.43 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.09 4.98 2.01 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 0.74 0.00 0.00 0.72 0.00 0.00 119 V 8.43 5.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.05 0.00 0.00 120 H 9.39 5.08 0.00 3.08 3.52 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.51 4.19 0.00 1.97 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 2.37 2.35 0.00 122 K 9.06 4.76 0.00 1.69 1.69 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 123 A 8.40 4.52 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 10.35 4.82 0.00 2.75 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 0.00 125 D 9.47 4.58 0.00 2.90 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 0.00 126 L 10.22 3.46 0.00 1.70 1.77 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.77 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 0.00 0.00 0.00 128 K 8.18 4.53 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.34 7.81 129 G 7.89 3.73 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 0.00 0.00 0.00 130 G 8.67 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 0.00 131 N 7.47 5.05 0.00 2.76 2.80 0.00 0.00 6.22 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 0.00 132 E 8.71 4.18 0.00 1.98 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 0.00 2.31 2.33 0.00 133 E 8.50 4.05 0.00 2.15 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 2.39 2.33 0.00 134 S 8.88 4.46 0.00 3.91 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 0.00 135 T 7.95 4.35 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 1.22 0.00 0.00 136 K 8.92 4.23 0.00 1.87 1.83 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.37 1.48 7.81 137 T 7.27 4.43 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 1.15 0.00 0.00 138 G 8.93 4.10 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 0.00 0.00 0.00 139 N 7.44 4.16 0.00 3.16 2.88 0.00 0.00 6.84 7.23 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 0.00 140 A 8.12 4.29 1.27 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 0.00 0.00 0.00 141 G 8.07 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 0.00 0.00 0.00 0.00 142 S 8.34 4.35 0.00 3.96 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 0.00 143 R 8.37 4.41 0.00 1.68 1.84 0.00 3.19 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 144 L 8.77 4.26 0.00 1.75 1.69 0.88 0.67 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 0.00 145 A 7.61 4.78 1.27 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 0.00 0.00 0.00 146 C 8.52 5.41 0.00 2.95 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 0.00 147 G 7.94 4.93 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 0.00 148 V 8.33 4.41 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 0.77 0.00 0.00 0.94 0.00 0.00 149 I 8.65 4.22 1.77 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.54 0.42 0.00 0.00 150 G 8.81 4.41 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 0.00 0.00 0.00 151 I 8.26 4.31 1.85 0.00 0.00 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 1.24 0.53 0.90 0.00 0.00 152 A 8.33 4.78 1.26 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 0.00 153 Q 8.48 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00