NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5864 0.0000 0.0000 62.6405 32.6668 174.5974 2 I 4.0307 8.1671 119.0516 60.0394 38.0832 170.5814 3 V 4.5143 8.2031 118.8460 59.7655 34.9503 175.3754 4 D 5.0762 8.4143 119.3645 53.0982 40.0576 175.1034 5 T 4.7298 7.3819 114.1872 63.4776 73.6269 176.7205 6 G 3.9053 8.8659 113.4225 46.6418 0.0000 176.2033 7 S 4.6422 8.3831 117.1419 56.7478 65.2229 172.8091 8 V 4.4445 7.8645 115.3035 58.9590 35.2202 175.7096 9 A 4.1323 8.4697 125.8289 51.5162 18.8631 175.8777 10 P 4.3932 0.0000 0.0000 62.3501 32.0507 176.6302 11 L 4.3242 8.1845 121.2722 54.6434 42.4060 177.8025 12 S 4.5574 9.5351 118.4602 57.3247 65.8858 175.1599 13 A 3.9316 8.6425 124.7921 55.5570 18.0393 180.1215 14 A 3.9302 7.9073 118.3927 55.4100 18.5337 179.4834 15 E 3.9296 8.0989 117.0393 59.5211 29.4894 179.6342 16 K 3.9025 8.2908 118.6782 59.9749 32.2632 179.4253 17 T 3.8894 7.8246 115.3764 66.5462 68.2719 176.8261 18 K 4.0120 8.0300 120.1664 59.4737 32.0111 179.3447 19 I 3.8519 8.0493 120.1466 64.7004 37.0559 178.5247 20 R 4.0701 8.2557 118.8615 59.5417 29.6492 179.3564 21 S 4.1224 7.8679 113.0361 61.7428 63.0580 176.3608 22 A 4.1136 8.0992 122.1829 54.6779 18.3021 179.3225 23 W 4.3600 8.9783 127.1963 61.0702 30.9855 178.5826 24 A 3.9541 8.2924 120.7894 54.5592 17.8293 177.6815 25 P 4.1408 0.0000 0.0000 65.6623 31.6734 178.7196 26 V 3.5401 7.5934 116.9284 66.1481 31.3245 177.5152 27 Y 3.9896 7.1328 118.6619 60.5307 38.4700 177.4474 28 S 4.1192 7.8457 115.6330 60.8419 63.6342 174.7513 29 T 4.5225 7.6662 112.4967 59.4100 68.7751 175.3389 30 Y 4.1850 7.9300 122.6905 61.0688 38.0257 177.2670 31 E 3.8091 7.3059 120.2324 59.9084 29.5499 179.0528 32 T 3.9932 7.7107 114.9413 66.4216 68.8015 176.7797 33 S 4.1879 8.0456 116.9888 61.9025 63.0078 177.1500 34 G 3.8913 8.4694 108.3130 48.1017 0.0000 175.6231 35 V 3.6355 7.4301 119.6168 65.6264 31.5281 177.6243 36 D 4.3626 8.2049 118.5360 57.5494 40.6495 178.6409 37 I 3.7509 7.8319 119.9978 64.6458 37.1322 178.1661 38 L 4.0958 8.0858 120.7579 58.3382 41.9207 179.2107 39 V 3.5753 8.2717 118.6078 65.6079 31.4462 177.9779 40 K 3.9487 8.5868 119.9228 59.4458 31.8835 178.3646 41 F 4.2166 8.5456 121.1374 61.4242 39.0850 176.8451 42 F 3.6541 8.3257 119.0309 61.4441 39.3128 176.9247 43 T 3.9579 8.0227 108.3053 64.0645 68.6404 175.5670 44 S 4.6181 7.6375 113.9791 57.9061 65.2193 174.6746 45 T 4.4836 6.9576 118.9567 60.0984 68.9819 172.1663 46 P 4.2820 0.0000 0.0000 64.8197 31.6132 177.6035 47 A 4.2469 8.0506 117.2358 54.6700 18.5295 178.2855 48 A 4.3470 7.4352 116.7841 52.3140 19.3943 178.7863 49 Q 4.1336 8.2070 118.4259 58.5711 28.5209 177.9886 50 E 4.1812 8.1048 115.6358 57.9443 29.7254 177.2168 51 F 4.3726 8.1697 117.3626 58.1291 39.6966 176.4376 52 F 4.5057 8.0755 121.1984 54.3389 38.2210 173.9855 53 P 4.2795 0.0000 0.0000 65.4827 31.5922 178.7721 54 K 4.2496 7.8763 115.0681 58.2792 32.3413 177.3642 55 F 4.9774 8.1608 117.3842 56.8741 39.2524 175.7441 56 K 4.2037 7.7334 121.2195 58.2322 32.2338 175.8909 57 G 4.0969 9.1826 111.0098 45.6181 0.0000 173.5763 58 L 4.3046 7.8281 120.1937 54.3620 41.7928 175.9184 59 T 4.5329 8.5424 113.3521 63.1028 70.7697 175.1116 60 T 4.1291 7.6046 111.5399 60.6803 69.8486 174.9480 61 A 4.2033 8.4266 123.9343 53.6803 18.2361 179.4139 62 D 4.2516 7.7692 116.2922 57.0472 41.8411 177.7123 63 Q 4.0853 8.1704 118.6276 58.9928 28.7754 178.4747 64 L 3.6651 7.4154 119.9256 58.0571 41.5735 179.8830 65 K 4.0514 7.3592 114.8919 58.1670 32.0282 178.2797 66 K 4.3651 7.8388 117.6685 55.6124 33.5824 176.8159 67 S 4.3160 7.5452 115.1046 57.6195 63.8703 174.6347 68 A 4.1214 8.5908 130.4510 55.1117 18.3216 179.4558 69 D 4.5537 7.9598 117.8333 57.4520 40.8130 179.0664 70 V 3.6213 7.6838 118.4356 65.9120 31.5863 178.1463 71 R 3.9901 7.9446 117.5112 58.9827 29.9639 178.6678 72 W 4.7871 8.5209 128.0936 61.0216 30.7451 177.1149 73 H 3.9736 8.4632 117.6703 59.5289 29.3240 176.8974 74 A 4.1118 8.5373 122.5905 55.3815 18.0632 179.4975 75 E 4.2245 8.8772 117.4792 59.5345 29.5261 179.8719 76 R 3.7356 7.9304 118.2560 59.0828 30.1933 178.8420 77 I 3.6593 7.7001 119.5608 64.7067 37.3283 178.2741 78 I 3.9546 7.9413 120.3526 64.9823 36.9635 178.1283 79 N 4.4830 8.1638 116.7607 55.6905 38.4648 177.3739 80 A 3.9346 7.9089 122.5205 55.1227 18.3815 179.8512 81 V 3.3055 7.6673 116.4184 66.0920 31.5969 177.7158 82 N 4.0393 8.0098 116.3461 56.6717 38.4236 176.5662 83 D 4.2265 8.1133 119.8423 57.0403 41.1614 178.2038 84 A 3.9634 7.5895 121.1203 55.2594 18.2511 179.5394 85 V 3.2890 7.5946 116.5779 66.3396 31.1934 178.0336 86 A 4.0502 7.7749 118.5839 54.0187 18.4770 178.6281 87 S 4.5541 8.0012 112.8293 58.5965 63.1342 175.6207 88 M 4.0913 7.4651 123.0371 58.4699 31.7128 177.6474 89 D 4.6835 7.9815 116.9327 54.4619 42.8576 176.0569 90 D 4.8017 7.9981 120.3833 51.6204 40.9230 175.7243 91 T 3.8381 8.0120 117.9054 64.5617 67.3525 174.6791 92 E 3.9035 8.1734 120.1028 59.2801 29.6913 178.9819 93 K 3.8795 7.9093 119.5468 59.7021 32.3131 178.2039 94 M 3.9165 7.8899 118.4338 58.9408 31.9830 178.2585 95 S 3.9986 7.8910 114.4697 61.8410 63.1348 176.2003 96 M 3.9395 7.6960 121.1997 58.6942 31.8087 178.9154 97 K 3.8640 7.8527 117.7728 59.6979 32.2798 179.3890 98 L 3.9335 7.8254 118.8494 57.9189 41.6286 179.8721 99 R 3.9363 8.6154 118.3438 59.1930 30.0112 178.6768 100 D 4.2553 8.0202 117.8133 57.2200 41.3112 178.0613 101 L 4.0120 7.8766 120.9386 57.9686 42.0233 178.8552 102 S 4.1732 8.6550 113.7421 61.2336 62.2859 176.2501 103 G 3.5370 7.8751 108.1703 47.8808 0.0000 175.5977 104 K 3.5530 7.7194 120.7190 59.3426 32.1246 179.1971 105 H 4.3968 8.1278 115.6482 58.8077 28.4650 177.7867 106 A 3.6239 7.5719 121.6038 54.5600 18.2197 179.2354 107 K 4.0571 7.9662 115.9078 57.9802 32.5880 178.1371 108 S 4.4271 7.3872 113.4228 60.2817 63.7737 175.7141 109 F 4.6283 7.3461 116.1627 58.1793 39.3467 175.4179 110 Q 3.5096 7.6246 118.3613 56.8182 26.6672 174.1869 111 V 4.1047 7.7548 108.7395 59.9046 33.2641 176.1863 112 D 4.2228 7.0425 123.0290 53.4629 41.6127 175.2746 113 P 3.0887 0.0000 0.0000 64.0003 31.3035 178.0017 114 Q 3.8330 7.5417 117.1335 58.6122 28.8802 177.1973 115 Y 4.3869 6.9640 115.4905 58.8685 38.0845 177.2642 116 F 4.5037 7.2248 119.0699 60.6641 39.1929 177.5597 117 K 4.1179 8.0719 117.5327 59.4269 32.0376 179.3837 118 V 3.6547 7.6509 119.4553 66.0399 31.6876 177.6307 119 L 3.7318 8.0458 119.9217 57.8379 41.8023 178.6651 120 A 4.0292 8.2003 120.6415 54.8836 18.2039 179.5123 121 A 4.0070 7.9114 119.3498 55.3780 18.4883 180.0510 122 V 3.6749 7.6235 115.8750 66.1986 31.5743 178.2968 123 I 3.8648 7.9946 119.4382 64.3531 36.9051 178.3486 124 A 4.4698 8.3825 121.6434 55.4599 18.1211 179.2607 125 D 4.3189 8.5318 115.6367 57.3614 41.2653 178.1183 126 T 4.2062 7.7747 115.5826 66.1071 68.9404 176.9069 127 V 3.7515 7.9183 118.9125 65.1305 33.1868 176.4614 128 A 4.3843 7.9990 117.3844 50.5064 20.8981 175.2268 129 A 4.1726 7.9081 123.4867 53.7842 19.1830 176.8439 130 G 4.1303 9.0831 110.9600 45.9741 0.0000 174.1951 131 D 4.4160 8.2345 119.5455 54.2754 42.4070 176.8951 132 A 4.2809 8.7741 128.9609 54.8754 18.5158 179.6320 133 G 3.6123 8.1031 104.0618 48.0660 0.0000 175.5878 134 F 4.1133 8.6347 122.9904 60.8184 39.3649 177.1539 135 E 4.0333 7.9368 117.2209 58.8303 29.0780 179.4590 136 K 3.8578 7.7478 118.3995 59.2458 32.1120 178.7815 137 L 3.7326 7.2819 120.4941 58.6959 41.8631 179.0672 138 M 3.8037 7.4880 118.1283 58.2812 31.7595 179.0874 139 S 4.4919 7.7532 116.8264 61.1531 62.9523 176.4525 140 M 3.9416 8.1956 121.7198 58.4640 31.6933 178.7288 141 I 3.5392 7.6775 119.8606 64.6698 36.8460 178.3414 142 C 4.0097 8.0998 117.3723 62.8456 27.7407 176.1445 143 I 3.9684 7.8116 121.9078 63.8984 36.9495 178.2121 144 L 4.1225 8.0711 119.8446 57.5610 41.2841 179.2169 145 L 3.9670 7.8376 117.4681 56.4406 41.7774 178.4440 146 R 4.8044 7.5925 116.8698 56.1565 30.5343 178.0853 147 S 4.1512 7.8516 113.6324 61.0438 63.0027 175.6122 148 A 4.1583 8.2479 123.0776 54.0455 18.7026 176.7926 149 Y 4.1902 7.9036 117.9642 58.3829 37.9198 175.3982 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 P 0.00 4.59 0.00 2.20 2.18 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 2 I 8.17 4.03 1.88 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 1.40 0.71 0.89 0.00 0.00 3 V 8.20 4.51 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 0.94 0.00 0.00 0.90 0.00 0.00 4 D 8.41 5.08 0.00 2.78 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 5 T 7.38 4.73 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 G 8.87 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 7 S 8.38 4.64 0.00 3.76 3.67 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 8 V 7.86 4.44 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 0.75 0.00 0.00 0.88 0.00 0.00 9 A 8.47 4.13 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 10 P 0.00 4.39 0.00 2.03 1.98 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 11 L 8.18 4.32 0.00 1.60 1.57 0.84 0.83 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 12 S 9.54 4.56 0.00 4.00 3.97 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 13 A 8.64 3.93 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 14 A 7.91 3.93 1.33 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 15 E 8.10 3.93 0.00 2.19 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 2.35 2.36 0.00 16 K 8.29 3.90 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.69 7.81 17 T 7.82 3.89 4.42 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 1.23 0.00 0.00 18 K 8.03 4.01 0.00 2.04 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.76 7.81 19 I 8.05 3.85 2.11 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 1.77 1.06 1.07 0.00 0.00 20 R 8.26 4.07 0.00 2.04 2.08 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.99 0.00 21 S 7.87 4.12 0.00 4.08 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 22 A 8.10 4.11 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 23 W 8.98 4.36 0.00 3.56 3.30 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 24 A 8.29 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 1.97 2.09 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 26 V 7.59 3.54 1.55 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 0.68 0.00 0.00 0.87 0.00 0.00 27 Y 7.13 3.99 0.00 2.32 2.77 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 28 S 7.85 4.12 0.00 4.02 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 29 T 7.67 4.52 4.11 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 1.11 0.00 0.00 30 Y 7.93 4.18 0.00 3.20 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 31 E 7.31 3.81 0.00 1.79 1.86 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 1.71 1.99 0.00 32 T 7.71 3.99 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 1.21 0.00 0.00 33 S 8.05 4.19 0.00 3.89 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 34 G 8.47 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 35 V 7.43 3.64 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 1.07 0.00 0.00 1.03 0.00 0.00 36 D 8.20 4.36 0.00 2.90 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 37 I 7.83 3.75 2.11 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 1.50 0.95 1.02 0.00 0.00 38 L 8.09 4.10 0.00 1.92 1.84 1.05 0.86 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 39 V 8.27 3.58 2.25 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 0.94 0.00 0.00 0.94 0.00 0.00 40 K 8.59 3.95 0.00 2.06 2.05 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 41 F 8.55 4.22 0.00 3.23 3.39 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 42 F 8.33 3.65 0.00 2.97 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 43 T 8.02 3.96 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 1.37 0.00 0.00 44 S 7.64 4.62 0.00 4.05 3.99 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 45 T 6.96 4.48 3.56 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 1.21 0.00 0.00 46 P 0.00 4.28 0.00 2.06 1.99 0.00 3.80 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 2.03 1.87 0.00 47 A 8.05 4.25 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 48 A 7.44 4.35 0.28 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 49 Q 8.21 4.13 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 50 E 8.10 4.18 0.00 1.84 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 2.17 1.70 0.00 51 F 8.17 4.37 0.00 3.11 2.98 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 52 F 8.08 4.51 0.00 3.16 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 0.00 0.00 0.00 0.00 53 P 0.00 4.28 0.00 2.15 2.12 0.00 3.49 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 2.10 2.10 0.00 54 K 7.88 4.25 0.00 1.70 1.99 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 55 F 8.16 4.98 0.00 3.10 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 56 K 7.73 4.20 0.00 1.92 1.83 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.58 7.81 57 G 9.18 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 58 L 7.83 4.30 0.00 1.73 1.53 0.82 0.73 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 59 T 8.54 4.53 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 1.26 0.00 0.00 60 T 7.60 4.13 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 61 A 8.43 4.20 1.33 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 62 D 7.77 4.25 0.00 2.67 2.67 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 63 Q 8.17 4.09 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 64 L 7.42 3.67 0.00 1.48 1.43 0.86 0.30 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 65 K 7.36 4.05 0.00 1.82 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.73 7.81 66 K 7.84 4.37 0.00 1.81 1.81 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.55 7.81 67 S 7.55 4.32 0.00 3.79 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 68 A 8.59 4.12 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 69 D 7.96 4.55 0.00 2.93 3.07 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 70 V 7.68 3.62 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 0.86 0.00 0.00 -0.28 0.00 0.00 71 R 7.94 3.99 0.00 2.19 2.32 0.00 3.21 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 1.68 1.77 0.00 72 W 8.52 4.79 0.00 3.47 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 73 H 8.46 3.97 0.00 3.68 3.68 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.54 4.11 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 75 E 8.88 4.22 0.00 2.52 2.35 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 2.73 2.63 0.00 76 R 7.93 3.74 0.00 1.70 1.72 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 0.00 77 I 7.70 3.66 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.95 0.00 0.00 78 I 7.94 3.95 2.27 0.00 0.00 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 1.73 1.62 1.15 0.00 0.00 79 N 8.16 4.48 0.00 2.86 2.83 0.00 0.00 6.85 8.01 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 80 A 7.91 3.93 1.33 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 81 V 7.67 3.31 2.28 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 0.45 0.00 0.00 0.95 0.00 0.00 82 N 8.01 4.04 0.00 3.02 2.77 0.00 0.00 7.26 7.77 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 83 D 8.11 4.23 0.00 2.79 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 84 A 7.59 3.96 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 0.00 0.00 0.00 0.00 0.00 85 V 7.59 3.29 1.78 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 0.85 0.00 0.00 0.00 0.00 0.00 86 A 7.77 4.05 1.33 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 87 S 8.00 4.55 0.00 3.85 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 88 M 7.47 4.09 0.00 1.90 2.11 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 89 D 7.98 4.68 0.00 2.62 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 90 D 8.00 4.80 0.00 2.60 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 91 T 8.01 3.84 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 1.18 0.00 0.00 92 E 8.17 3.90 0.00 2.26 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 2.38 2.30 0.00 93 K 7.91 3.88 0.00 1.92 1.88 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 94 M 7.89 3.92 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 95 S 7.89 4.00 0.00 4.09 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 96 M 7.70 3.94 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 97 K 7.85 3.86 0.00 1.89 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.59 7.81 98 L 7.83 3.93 0.00 1.71 1.61 0.79 0.84 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 99 R 8.62 3.94 0.00 1.77 1.95 0.00 3.09 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 100 D 8.02 4.26 0.00 2.78 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 0.00 101 L 7.88 4.01 0.00 1.93 1.79 1.02 0.60 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 0.00 102 S 8.66 4.17 0.00 3.99 4.01 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 0.00 0.00 0.00 0.00 103 G 7.88 3.54 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 0.00 0.00 0.00 0.00 104 K 7.72 3.55 0.00 1.87 1.19 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.29 1.58 7.81 105 H 8.13 4.40 0.00 3.70 3.87 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.57 3.62 0.15 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 0.00 107 K 7.97 4.06 0.00 1.53 1.75 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.43 7.81 108 S 7.39 4.43 0.00 3.04 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 0.00 109 F 7.35 4.63 0.00 3.18 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 0.00 110 Q 7.62 3.51 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 111 V 7.75 4.10 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 0.82 0.00 0.00 1.11 0.00 0.00 112 D 7.04 4.22 0.00 2.37 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 3.09 0.00 1.64 0.49 0.00 3.45 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.42 0.00 114 Q 7.54 3.83 0.00 1.81 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 115 Y 6.96 4.39 0.00 3.03 3.31 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 0.00 116 F 7.22 4.50 0.00 3.08 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 0.00 117 K 8.07 4.12 0.00 1.99 2.08 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.49 7.81 118 V 7.65 3.65 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 1.41 0.00 0.00 1.04 0.00 0.00 119 L 8.05 3.73 0.00 0.34 1.40 0.69 0.80 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 0.00 120 A 8.20 4.03 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 0.00 121 A 7.91 4.01 1.52 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 0.00 122 V 7.62 3.67 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 1.14 0.00 0.00 1.20 0.00 0.00 123 I 7.99 3.86 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.66 1.24 0.00 0.00 124 A 8.38 4.47 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 0.00 0.00 0.00 0.00 0.00 125 D 8.53 4.32 0.00 2.79 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 0.00 126 T 7.77 4.21 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 1.24 0.00 0.00 127 V 7.92 3.75 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 0.63 0.00 0.00 1.23 0.00 0.00 128 A 8.00 4.38 0.98 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 0.00 129 A 7.91 4.17 1.33 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 0.00 130 G 9.08 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 0.00 131 D 8.23 4.42 0.00 2.85 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 0.00 132 A 8.77 4.28 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 0.00 133 G 8.10 3.61 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 0.00 0.00 0.00 134 F 8.63 4.11 0.00 3.31 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 0.00 135 E 7.94 4.03 0.00 2.34 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 2.39 2.62 0.00 136 K 7.75 3.86 0.00 2.01 1.79 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.54 7.81 137 L 7.28 3.73 0.00 1.37 1.20 0.53 0.71 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 0.00 138 M 7.49 3.80 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.19 0.00 139 S 7.75 4.49 0.00 4.00 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 0.00 140 M 8.20 3.94 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 141 I 7.68 3.54 1.85 0.00 0.00 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 1.34 0.59 0.72 0.00 0.00 142 C 8.10 4.01 0.00 3.18 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 0.00 143 I 7.81 3.97 1.96 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 1.49 1.03 0.88 0.00 0.00 144 L 8.07 4.12 0.00 1.79 1.62 0.87 0.47 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 0.00 145 L 7.84 3.97 0.00 1.10 0.45 0.24 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.59 4.80 0.00 2.04 2.00 0.00 3.35 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 147 S 7.85 4.15 0.00 4.00 4.01 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 0.00 0.00 0.00 0.00 148 A 8.25 4.16 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 0.00 149 Y 7.90 4.19 0.00 3.16 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