NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4313 8.3044 120.3495 55.3437 33.2347 174.4779 1 V 4.3059 8.0450 125.1244 60.7486 34.6584 172.9243 2 L 4.3012 8.2888 127.2149 54.0623 43.5490 176.9071 3 S 4.5342 8.7171 117.3294 57.6727 65.3492 175.1408 4 E 4.3073 8.8106 122.5674 59.4908 29.4663 179.0479 5 G 3.6252 8.1139 105.3604 47.7356 0.0000 175.4128 6 E 3.8841 8.2432 120.8359 59.0576 29.4527 179.3874 7 W 4.3958 8.0405 118.9057 60.0694 29.0531 178.6394 8 Q 4.2447 8.6471 118.2034 58.9329 27.9823 178.7621 9 L 4.0668 8.0052 119.9942 57.5570 41.5779 179.7413 10 V 3.7621 7.9289 118.4006 66.1487 31.6048 178.1856 11 L 4.2993 8.6467 118.9485 57.8254 41.2205 179.1532 12 H 4.2307 8.4960 116.3018 58.5507 28.9198 177.7209 13 V 3.8533 7.9090 121.2844 64.3051 31.4882 178.3051 14 W 3.8559 8.5279 128.8623 60.0667 30.2487 177.7164 15 A 4.0122 8.0263 120.2008 54.9841 18.0302 179.4024 16 K 3.9691 7.8616 117.1179 59.1860 32.1668 179.4533 17 V 2.6779 7.2216 118.0533 65.8519 30.9774 177.3621 18 E 4.0264 7.6687 115.0580 57.7508 29.3041 178.4900 19 A 4.1899 7.6629 121.2635 54.3366 19.7811 177.6549 20 D 4.6700 7.7929 114.6836 52.3931 43.4412 175.9275 21 V 3.6494 7.7758 123.8312 64.2834 31.8107 178.2875 22 A 4.0503 8.0005 121.0759 54.9584 18.3109 179.6736 23 G 3.7014 8.3829 105.5680 45.5198 0.0000 175.7096 24 H 4.1600 8.2547 118.5173 58.4141 28.6038 178.1513 25 G 3.5124 8.2817 107.7817 47.7614 0.0000 175.7732 26 Q 4.0102 8.1131 120.4425 58.9123 28.7179 178.7021 27 D 4.4106 7.9646 119.8031 57.3489 40.7354 178.9695 28 I 3.5898 7.7670 120.3228 64.5798 37.0050 178.1872 29 Y 3.6678 7.8886 117.6607 60.8381 37.5221 178.3923 30 I 3.7121 8.0652 121.2480 64.3118 37.1304 178.4311 31 R 3.7793 8.0677 119.6271 59.1503 29.8448 178.2901 32 L 3.8895 7.8819 120.2221 58.4018 42.0109 179.1323 33 F 4.5604 8.0540 117.8887 60.2683 38.5269 178.0592 34 K 4.0280 8.1620 118.0061 59.6274 32.0110 179.3179 35 S 4.2534 7.9963 114.2858 60.4409 64.2544 174.5905 36 H 4.7243 8.1379 118.1902 51.9058 29.3783 171.7797 37 P 4.5852 0.0000 0.0000 64.6759 31.3747 177.6171 38 E 4.3872 8.4807 117.4450 58.9282 29.5841 179.1335 39 T 3.7489 8.0974 110.9651 64.4248 68.7887 176.2962 40 L 3.7482 8.0404 123.0827 57.7669 41.7576 178.6141 41 E 4.1252 8.1006 118.6165 58.8445 29.1126 178.8778 42 K 4.4917 8.0683 116.9565 57.1476 32.7593 177.5764 43 F 4.5119 8.2321 119.1091 55.8121 38.8059 175.8878 44 D 4.4196 8.4879 124.5505 57.1601 40.9790 178.7110 45 R 3.8731 7.6524 116.6206 57.7622 30.3939 176.9024 46 F 4.9459 7.5554 114.0584 56.6738 40.5484 176.8211 47 K 4.0213 8.0828 120.4304 59.2008 32.4411 177.8691 48 H 4.4099 8.1351 114.2353 57.2127 29.0858 175.7144 49 L 4.0362 7.5204 121.3729 55.0467 41.6504 177.0031 50 K 4.3235 9.1467 123.3239 57.2929 33.4027 176.9915 51 T 4.7478 7.3157 107.7835 58.8178 73.2579 174.2060 52 E 3.9268 8.6703 121.1543 59.3592 29.6581 178.6212 53 A 4.0214 7.9786 120.4009 55.2558 18.2353 179.3341 54 E 3.9490 7.9083 115.8617 59.6648 29.6907 179.1413 55 M 4.1615 8.1326 118.7946 58.3926 31.8221 178.9622 56 K 3.9643 8.2803 117.6649 59.1148 32.3227 178.5264 57 A 4.4642 7.7338 118.3950 51.8516 19.0583 177.1974 58 S 4.2471 7.4812 113.5530 57.4407 62.5352 174.3266 59 E 3.9978 8.8859 129.6437 59.4697 29.4637 178.2325 60 D 4.4901 8.1601 118.6102 57.2925 40.9049 178.3281 61 L 3.1283 8.0935 120.9802 57.4105 41.9927 178.8541 62 K 3.8830 8.0468 119.6934 59.6091 32.1715 178.9276 63 K 4.0378 8.2283 118.6873 59.4735 31.9051 179.1767 64 Q 4.2331 8.2652 120.1538 59.1472 29.0151 178.4085 65 G 3.7379 8.5936 107.1922 47.8281 0.0000 175.8643 66 V 3.6414 7.8738 120.4735 65.7583 31.5372 178.2737 67 R 3.9733 8.0878 117.8867 59.2792 29.8812 179.1966 68 V 3.6536 8.0282 117.8055 66.2632 31.5919 178.2018 69 L 4.2222 8.1440 118.5557 57.9219 41.4221 179.6683 70 T 4.0874 8.3366 116.0156 66.3455 68.3834 176.7616 71 A 3.9978 8.2598 122.9174 55.0667 18.4533 179.4713 72 L 3.7045 8.2343 119.2298 58.0184 42.0426 179.3218 73 G 3.1906 8.4692 105.9174 47.6480 0.0000 175.4926 74 A 3.9426 7.8495 122.1441 54.7354 18.6879 179.5580 75 I 3.7536 7.5718 118.2832 64.6461 37.2122 178.7033 76 L 3.9775 8.0241 120.0471 57.6532 41.1574 179.6347 77 K 3.9482 7.8772 117.2213 58.4707 32.2837 178.8178 78 K 3.9174 7.7964 118.2426 56.1838 32.9305 176.3630 79 K 2.0000 8.0446 118.4767 56.2070 29.5878 175.2399 80 G 3.9180 7.4816 105.4791 45.7413 0.0000 172.9201 81 H 4.5844 7.3716 119.1472 55.2944 27.4701 174.8804 82 H 5.5997 7.2161 110.2748 54.4303 29.6396 176.5814 83 E 3.9258 8.4989 122.7508 60.2608 29.1006 178.2657 84 A 4.0185 7.8936 119.0140 55.3017 18.3711 179.0345 85 E 4.0918 8.1419 116.6255 59.4517 29.6293 179.3147 86 L 4.2963 8.3530 119.1542 57.0666 41.6763 179.2972 87 K 3.9079 7.8674 119.1875 59.1671 31.9978 177.4175 88 P 4.3131 0.0000 0.0000 65.7221 31.1933 178.1657 89 L 4.0021 7.6007 120.3175 57.9346 41.9921 178.7577 90 A 4.2000 8.5846 121.1711 55.1858 18.3214 179.4404 91 Q 3.9033 8.3073 118.2667 59.3868 29.1938 178.6088 92 S 4.0567 8.3518 115.5471 61.9088 63.0208 176.1646 93 H 4.3224 8.8742 119.8615 57.9948 28.1905 177.7681 94 A 2.7495 8.1048 122.4741 54.6569 18.3881 178.9316 95 T 3.9974 7.3955 111.8744 64.5241 69.5113 176.4733 96 K 3.9742 7.4681 120.5441 59.1278 32.5808 177.2404 97 H 4.4169 8.0559 113.8588 55.4390 29.7809 175.3292 98 K 3.2636 7.4957 117.3854 57.0853 28.6247 175.7200 99 I 4.3198 8.0520 118.8697 58.6754 38.0057 174.9156 100 P 4.6567 0.0000 0.0000 62.3168 32.0430 177.5160 101 I 3.6924 8.5742 121.0452 64.5330 36.8970 178.5978 102 K 3.8951 7.8687 121.2280 59.1347 31.9166 178.1848 103 Y 4.2550 8.0615 116.7854 60.7000 37.8253 178.0094 104 L 4.2350 7.9244 119.7991 57.6257 41.7602 179.1032 105 E 4.0395 8.2814 118.8728 59.4588 29.4142 179.3254 106 F 4.6099 7.9685 117.8547 60.7409 38.8971 177.6004 107 I 3.8752 8.2423 118.2384 63.8518 37.6925 178.1550 108 S 4.1677 8.3203 116.4019 61.5246 62.6149 176.0614 109 E 3.9850 8.6544 122.0483 59.3682 29.3278 178.7549 110 A 3.9857 8.1762 120.6944 55.1158 18.3321 179.6623 111 I 3.6143 7.9859 118.3655 64.6705 37.1560 178.7172 112 I 3.7739 8.0071 120.6883 64.6321 36.9597 177.9855 113 H 4.1103 8.5365 119.2705 59.3068 29.6467 177.5397 114 V 3.5540 7.9824 120.0964 65.9753 31.3151 178.0267 115 L 3.7378 7.9811 119.1129 57.7787 41.0065 178.9160 116 H 4.3797 8.1024 117.7363 59.3412 29.8716 177.0489 117 S 4.1535 7.8422 113.9759 61.4215 62.3525 175.9514 118 R 4.0121 8.0388 119.8393 57.7282 31.3288 176.7091 119 H 5.0574 8.0830 114.8565 53.9215 29.0244 173.1646 120 P 4.3685 0.0000 0.0000 65.5590 31.8222 178.7377 121 G 3.7512 8.1484 107.0832 47.7970 0.0000 173.7128 122 N 5.0983 8.3696 114.3530 52.7001 40.3720 174.3879 123 F 4.8139 7.9701 119.0162 56.4744 39.6681 174.3205 124 G 3.9102 7.7288 108.3581 43.7459 0.0000 172.3821 125 A 3.8879 8.3941 120.6262 55.4461 18.2139 179.6977 126 D 4.2106 7.9478 116.5616 57.3856 40.8788 178.7359 127 A 3.8712 7.7255 120.8550 55.0432 18.3990 179.2541 128 Q 2.9709 7.7445 118.4509 58.7901 28.9414 178.7950 129 G 3.4873 7.9875 106.5510 47.6942 0.0000 175.5844 130 A 3.8372 8.0639 123.5837 54.9184 18.3301 179.4044 131 M 3.9959 8.3182 117.0986 58.7237 32.2824 177.8703 132 N 4.3108 8.5535 117.6665 56.6092 39.0623 176.6199 133 K 3.8122 8.1598 120.7787 59.4776 32.2131 178.5691 134 A 3.8395 7.9356 120.9610 55.2173 18.2139 179.6766 135 L 4.0954 8.4308 117.9167 57.6919 41.5870 179.3199 136 E 3.9468 8.6279 120.0121 58.9691 29.4712 178.6277 137 L 3.9505 8.2131 120.6467 58.0111 42.1321 178.4941 138 F 4.1315 8.4442 120.6753 61.7229 39.2693 177.4491 139 R 3.4229 8.3285 117.6764 58.7017 29.7580 179.0517 140 K 3.8608 8.3137 120.0199 59.6119 32.2278 178.7455 141 D 4.3369 8.3603 119.5833 57.2296 40.7241 178.8382 142 I 3.3816 7.5914 120.4387 64.1110 36.9617 178.3034 143 A 3.8037 8.0353 121.8058 54.9578 18.1628 179.5713 144 A 3.9526 7.9393 119.3740 55.2054 18.3862 180.0865 145 K 3.9988 8.0382 117.1108 59.6722 32.0343 179.0339 146 Y 4.4051 8.5777 117.5280 61.2493 37.8139 178.8372 147 K 3.9713 8.2343 120.3720 59.6093 32.0842 178.7264 148 E 4.0435 8.0276 117.8895 59.2063 29.4856 178.6673 149 L 4.3315 7.9718 116.9156 55.3848 41.9195 177.8405 150 G 3.9256 7.8951 107.0018 45.2091 0.0000 172.1913 151 Y 4.7696 7.8717 120.8957 55.2474 40.2879 175.7523 152 Q 3.8422 9.1431 125.9064 59.6564 29.4311 176.2501 153 G 3.4035 5.3800 111.6835 43.8418 0.0000 174.1698 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 0 M 8.30 4.43 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 1 V 8.05 4.31 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 0.91 0.00 0.00 0.96 0.00 0.00 2 L 8.29 4.30 0.00 0.90 0.63 0.62 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.72 4.53 0.00 4.04 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 4 E 8.81 4.31 0.00 2.20 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 2.44 2.52 0.00 5 G 8.11 3.63 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 0.00 6 E 8.24 3.88 0.00 1.89 1.70 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 2.20 2.25 0.00 7 W 8.04 4.40 0.00 3.60 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 8 Q 8.65 4.24 0.00 2.26 2.23 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 2.70 2.62 0.00 9 L 8.01 4.07 0.00 1.89 1.72 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.93 3.76 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.65 4.30 0.00 1.83 1.78 0.96 1.01 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 12 H 8.50 4.23 0.00 3.30 3.44 0.00 5.65 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 13 V 7.91 3.85 2.53 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 1.10 0.00 0.00 0.89 0.00 0.00 14 W 8.53 3.86 0.00 3.66 3.20 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 15 A 8.03 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.86 3.97 0.00 1.47 1.59 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.49 7.81 17 V 7.22 2.68 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 0.00 0.00 0.10 0.00 0.00 0.14 0.00 0.00 18 E 7.67 4.03 0.00 2.04 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 2.24 0.00 19 A 7.66 4.19 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 20 D 7.79 4.67 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.65 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 0.72 0.00 0.00 0.88 0.00 0.00 22 A 8.00 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 23 G 8.38 3.70 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 0.00 24 H 8.25 4.16 0.00 3.23 3.18 0.00 5.82 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 25 G 8.28 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.11 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 27 D 7.96 4.41 0.00 2.76 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 28 I 7.77 3.59 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.63 0.68 0.00 0.00 29 Y 7.89 3.67 0.00 2.82 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 30 I 8.07 3.71 1.89 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 1.42 0.73 0.95 0.00 0.00 31 R 8.07 3.78 0.00 1.90 2.10 0.00 2.99 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 32 L 7.88 3.89 0.00 1.73 1.40 1.07 1.28 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 33 F 8.05 4.56 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.16 4.03 0.00 1.68 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.70 7.81 35 S 8.00 4.25 0.00 3.75 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 36 H 8.14 4.72 0.00 2.86 2.66 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.59 0.00 2.15 2.12 0.00 3.82 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 2.10 2.00 0.00 38 E 8.48 4.39 0.00 2.31 2.30 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 2.29 2.43 0.00 39 T 8.10 3.75 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 40 L 8.04 3.75 0.00 1.23 1.68 -0.17 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.10 4.13 0.00 2.25 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 2.36 2.40 0.00 42 K 8.07 4.49 0.00 1.95 1.76 0.00 1.99 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.76 2.00 7.81 43 F 8.23 4.51 0.00 3.32 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 44 D 8.49 4.42 0.00 2.62 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 45 R 7.65 3.87 0.00 0.72 0.96 0.00 2.96 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 46 F 7.56 4.95 0.00 2.87 2.71 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 0.00 0.00 0.00 0.00 47 K 8.08 4.02 0.00 1.88 2.20 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.40 7.81 48 H 8.14 4.41 0.00 3.30 3.44 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.52 4.04 0.00 1.51 1.57 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.15 4.32 0.00 1.81 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.49 7.81 51 T 7.32 4.75 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 52 E 8.67 3.93 0.00 2.05 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 2.36 2.37 0.00 53 A 7.98 4.02 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 54 E 7.91 3.95 0.00 2.10 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 0.00 2.34 2.34 0.00 55 M 8.13 4.16 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 56 K 8.28 3.96 0.00 1.83 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 57 A 7.73 4.46 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.48 4.25 0.00 3.93 3.83 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 0.00 0.00 0.00 0.00 59 E 8.89 4.00 0.00 2.14 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 2.40 2.50 0.00 60 D 8.16 4.49 0.00 3.02 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 61 L 8.09 3.13 0.00 1.03 1.52 -0.48 0.48 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 62 K 8.05 3.88 0.00 1.86 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 63 K 8.23 4.04 0.00 2.07 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.59 7.81 64 Q 8.27 4.23 0.00 2.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 65 G 8.59 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 66 V 7.87 3.64 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 1.13 0.00 0.00 0.99 0.00 0.00 67 R 8.09 3.97 0.00 2.24 2.08 0.00 3.48 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 68 V 8.03 3.65 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 1.09 0.00 0.00 1.26 0.00 0.00 69 L 8.14 4.22 0.00 1.79 1.89 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.34 4.09 4.33 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 1.26 0.00 0.00 71 A 8.26 4.00 1.41 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 72 L 8.23 3.70 0.00 1.56 1.71 0.21 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.47 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 0.00 0.00 0.00 74 A 7.85 3.94 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 75 I 7.57 3.75 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.90 0.00 0.00 76 L 8.02 3.98 0.00 1.30 1.58 -0.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.88 3.95 0.00 1.75 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.50 7.81 78 K 7.80 3.92 0.00 1.85 1.80 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.61 1.75 7.81 79 K 8.04 2.00 0.00 1.17 0.74 0.00 1.42 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.56 1.05 7.81 80 G 7.48 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 81 H 7.37 4.58 0.00 3.18 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.22 5.60 0.00 3.28 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.50 3.93 0.00 2.12 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 0.00 2.39 2.47 0.00 84 A 7.89 4.02 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 85 E 8.14 4.09 0.00 2.25 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 2.39 2.47 0.00 86 L 8.35 4.30 0.00 1.91 1.70 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.87 3.91 0.00 1.92 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.62 7.81 88 P 0.00 4.31 0.00 2.30 2.34 0.00 3.96 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.60 4.00 0.00 2.01 1.90 0.96 1.29 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 90 A 8.58 4.20 1.48 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 91 Q 8.31 3.90 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.35 4.06 0.00 4.01 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 93 H 8.87 4.32 0.00 3.61 3.67 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 94 A 8.10 2.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.40 4.00 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 1.11 0.00 0.00 96 K 7.47 3.97 0.00 1.54 1.59 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.06 4.42 0.00 3.00 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.50 3.26 0.00 1.79 1.72 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.25 7.81 99 I 8.05 4.32 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 1.19 0.00 0.00 100 P 0.00 4.66 0.00 1.98 2.00 0.00 3.24 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 0.89 1.46 0.00 101 I 8.57 3.69 1.82 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.83 0.00 0.00 102 K 7.87 3.90 0.00 1.67 1.65 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.50 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.85 0.93 7.81 103 Y 8.06 4.25 0.00 3.25 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 0.00 104 L 7.92 4.24 0.00 1.85 1.82 0.74 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.28 4.04 0.00 2.05 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 2.33 2.44 0.00 106 F 7.97 4.61 0.00 3.20 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 0.00 107 I 8.24 3.88 2.02 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 1.50 1.54 1.07 0.00 0.00 108 S 8.32 4.17 0.00 4.17 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 0.00 109 E 8.65 3.99 0.00 2.15 2.31 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 2.38 2.42 0.00 110 A 8.18 3.99 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 0.00 111 I 7.99 3.61 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.79 1.03 0.00 0.00 112 I 8.01 3.77 2.12 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 1.71 0.95 1.14 0.00 0.00 113 H 8.54 4.11 0.00 3.27 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.98 3.55 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 0.95 0.00 0.00 0.93 0.00 0.00 115 L 7.98 3.74 0.00 0.40 0.33 0.73 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 0.00 116 H 8.10 4.38 0.00 3.44 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.84 4.15 0.00 3.81 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 0.00 118 R 8.04 4.01 0.00 1.64 1.51 0.00 2.95 0.00 0.00 2.94 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 119 H 8.08 5.06 0.00 3.23 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.37 0.00 2.17 2.16 0.00 3.84 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 1.98 1.94 0.00 121 G 8.15 3.75 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 0.00 122 N 8.37 5.10 0.00 2.77 2.88 0.00 0.00 6.67 7.15 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 0.00 123 F 7.97 4.81 0.00 2.98 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 0.00 124 G 7.73 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 0.00 125 A 8.39 3.89 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 0.00 126 D 7.95 4.21 0.00 2.64 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 0.00 127 A 7.73 3.87 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 0.00 128 Q 7.74 2.97 0.00 1.21 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 129 G 7.99 3.49 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 0.00 130 A 8.06 3.84 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 0.00 131 M 8.32 4.00 0.00 2.52 2.42 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.91 0.00 132 N 8.55 4.31 0.00 2.86 2.93 0.00 0.00 6.87 6.32 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 0.00 133 K 8.16 3.81 0.00 1.91 1.62 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.38 7.81 134 A 7.94 3.84 1.23 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 0.00 0.00 135 L 8.43 4.10 0.00 1.73 1.83 1.00 0.59 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 0.00 136 E 8.63 3.95 0.00 2.11 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 2.30 2.31 0.00 137 L 8.21 3.95 0.00 1.90 1.94 1.08 1.07 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 0.00 138 F 8.44 4.13 0.00 3.13 3.33 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 0.00 139 R 8.33 3.42 0.00 1.83 1.83 0.00 3.18 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 140 K 8.31 3.86 0.00 1.83 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.36 4.34 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 142 I 7.59 3.38 1.32 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 -0.02 0.00 0.00 143 A 8.04 3.80 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 0.00 144 A 7.94 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 0.00 145 K 8.04 4.00 0.00 1.95 1.92 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.62 7.81 146 Y 8.58 4.41 0.00 3.13 3.18 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 0.00 147 K 8.23 3.97 0.00 1.86 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 8.03 4.04 0.00 2.19 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 2.36 2.56 0.00 149 L 7.97 4.33 0.00 1.86 1.73 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.90 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 0.00 151 Y 7.87 4.77 0.00 2.59 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 9.14 3.84 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.32 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 153 G 5.38 3.40 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