NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2617 8.1576 121.7866 56.6533 34.1243 177.3796 5 R 3.9616 7.7836 112.0896 56.4059 28.8334 176.2166 6 N 4.5715 9.0241 118.8781 55.7093 40.2687 176.9376 7 K 4.0037 8.1766 115.8009 56.3470 32.3213 174.1129 8 P 5.0181 0.0000 0.0000 63.0338 31.3351 175.4549 9 G 4.1615 8.3283 111.6762 43.9840 0.0000 169.8207 10 K 4.8078 8.2085 119.9414 54.0411 34.5253 175.5769 11 A 4.5753 8.7574 129.5939 52.5780 19.4515 176.7967 12 T 4.7931 8.7788 113.2601 60.3347 72.1784 174.7518 13 G 4.2411 8.9865 107.2945 45.9537 0.0000 173.5572 14 K 4.0812 8.8035 119.3728 55.7327 33.1345 178.1640 15 G 3.9461 9.4459 107.6857 44.7039 0.0000 172.2822 16 K 4.6951 8.9086 117.0988 53.4978 35.4956 174.4926 17 P 5.1549 0.0000 0.0000 62.1486 31.8119 176.3582 18 V 4.5585 8.0369 114.8993 59.5214 35.5951 175.3648 19 G 4.2408 8.2251 110.2671 44.8370 0.0000 173.2160 20 D 4.5455 8.6836 118.0860 55.7352 39.8437 176.8226 21 K 4.4876 8.0847 120.2903 56.1367 32.3665 178.1498 22 W 4.2743 8.5737 117.0481 59.4594 28.0494 177.6091 23 L 3.8011 7.2366 115.2582 54.8585 41.0591 177.4408 24 D 4.5743 7.8433 120.3894 56.9284 41.3264 178.4962 25 D 4.3849 8.0702 118.2945 56.6373 41.1806 178.2762 26 A 4.2896 8.1851 122.0304 54.5645 18.4491 178.6031 27 G 4.1361 7.7128 103.0944 45.3012 0.0000 173.6791 28 K 4.6721 7.8322 118.7323 56.0470 36.6759 176.8610 29 D 4.1767 8.3309 119.6597 56.2858 39.1317 176.4087 30 S 4.2243 8.8174 122.8897 60.2084 63.0770 174.4278 31 G 3.8502 7.9818 107.5171 44.0660 0.0000 172.5308 32 A 4.4989 8.1843 120.0922 51.0255 19.7082 176.3365 33 P 4.8759 0.0000 0.0000 62.0053 33.5840 175.3618 34 I 4.1709 8.1769 120.3795 60.0416 38.4250 174.2170 35 P 4.5529 0.0000 0.0000 62.9981 31.8091 176.8108 36 D 4.4400 9.4015 125.6187 57.0157 39.0222 179.1924 37 R 3.8480 7.8834 117.9809 58.8212 29.9044 178.7265 38 I 3.7144 7.4731 118.5854 64.3088 37.2247 177.8200 39 A 3.9876 7.9442 121.5998 55.5825 17.6222 179.5002 40 D 4.2845 7.8569 117.0950 57.5384 40.7180 179.0471 41 K 3.7348 7.5523 117.2920 58.7905 32.2858 177.7703 42 L 4.6162 7.4217 117.5478 55.1700 43.3855 176.7963 43 R 4.2276 8.1080 118.6145 58.0279 30.2787 175.4280 44 D 4.4655 8.8522 122.0690 55.0167 39.4349 173.1996 45 K 4.5276 7.8162 119.3474 54.4762 34.1299 175.5504 46 E 4.5110 8.6187 126.3188 56.1216 30.7014 175.6649 47 F 4.7445 9.8178 123.8243 55.4020 42.6873 176.2903 48 K 4.0175 9.1071 123.2816 59.4202 32.6862 177.0458 49 S 5.0725 7.6211 112.8898 57.3382 66.4471 175.6532 50 F 4.1738 8.5241 122.4812 61.3091 39.0758 176.7435 51 D 4.3636 8.4248 118.3919 57.6030 40.6131 178.4274 52 D 4.4451 8.1007 119.4759 57.2687 40.8384 178.5706 53 F 3.0571 7.9431 120.7631 60.9303 38.8903 177.2386 54 R 3.4020 8.5715 119.5119 58.8171 29.8688 178.4361 55 K 4.2256 8.0317 120.4642 58.7330 32.1763 178.6449 56 A 3.8952 7.8178 121.1107 55.1296 18.0938 179.4859 57 V 3.0443 6.8431 115.4292 66.0178 31.7641 177.9090 58 W 4.6916 7.5637 117.6459 59.4730 28.7137 178.5101 59 E 4.4561 8.1079 119.8575 59.0630 28.6951 179.2846 60 E 4.0118 7.9927 117.3750 58.7517 29.7035 179.3274 61 V 3.7546 7.6478 118.8432 66.1114 31.4092 178.1957 62 S 4.4615 8.2586 113.2719 61.2775 62.4454 176.0263 63 K 4.3479 7.6322 120.4592 57.0504 32.4467 176.2833 64 D 4.6904 8.3167 119.8334 51.5356 41.0500 174.4745 65 P 4.2247 0.0000 0.0000 65.9701 31.1973 177.7447 66 E 3.9290 8.2277 115.1592 59.7884 29.4243 179.1157 67 L 4.1632 7.7533 117.3737 56.4111 41.7809 178.1363 68 S 4.6955 8.1731 111.9131 58.4133 62.5857 175.5446 69 K 3.9834 8.0645 121.2857 59.9369 32.1345 176.6677 70 N 4.7141 8.0354 113.0688 53.4730 39.2256 175.1200 71 L 4.2493 7.4248 119.3108 53.9225 42.5413 177.1958 72 N 4.6734 8.5029 120.7158 52.0897 39.3462 174.2974 73 P 4.3154 0.0000 0.0000 65.3246 31.0724 179.0771 74 S 4.0457 8.0326 111.9548 61.5540 62.5199 175.7852 75 N 4.4260 9.5072 120.0749 56.0075 38.0999 177.4648 76 K 3.9583 8.2100 120.1222 59.6003 31.9212 179.3209 77 S 4.1253 7.4528 113.6673 61.8489 63.1063 176.3233 78 S 4.3601 7.7754 117.6891 62.3932 62.5439 177.6897 79 V 4.0094 7.8379 115.6344 63.7079 31.1130 178.5845 80 S 4.4137 7.7978 114.8697 59.5829 62.7412 175.3577 81 K 4.5458 8.1159 119.4046 55.6315 33.0571 176.8034 82 G 3.9231 8.1239 107.9864 45.3513 0.0000 172.3362 83 Y 4.6288 7.4770 116.6140 55.7722 39.8516 175.0947 84 S 2.7900 8.2765 117.8058 57.0392 63.3007 172.1018 85 P 4.3866 0.0000 0.0000 61.9928 33.1140 175.0684 86 F 4.6190 9.1069 121.1599 57.5391 39.2871 175.9456 87 T 3.9253 8.1395 114.3154 60.3520 69.8053 172.7232 88 P 4.3904 0.0000 0.0000 62.1100 32.3133 177.4935 89 K 3.7551 8.8285 122.3431 59.8125 31.9745 178.0512 90 N 4.6050 8.0633 112.2971 54.0091 37.7186 175.0504 91 Q 4.4750 8.3556 117.8974 55.8668 29.4354 175.0398 92 Q 4.6796 7.6982 117.4381 54.2748 30.9226 175.8351 93 V 4.2173 8.1372 118.3783 61.5922 33.8116 177.3375 94 G 3.8627 8.4589 119.6061 46.7404 0.0000 174.1153 95 G 3.6799 9.0275 113.3106 46.1493 0.0000 173.1118 96 R 4.4594 8.2408 120.9336 54.8284 30.5617 176.7309 97 K 4.6168 8.5462 121.0568 55.6067 34.4102 176.1167 98 V 4.6472 7.2853 110.7435 58.8430 34.9239 175.0384 99 Y 4.3777 7.8658 120.0226 59.0870 38.7348 176.0650 100 E 4.7978 9.8275 122.4756 54.5303 33.0478 175.3548 101 L 4.6632 8.9779 124.7912 54.7603 42.0094 175.3492 102 H 4.8544 9.5132 125.2034 54.2456 31.9607 173.6713 103 A 3.9306 8.3117 127.7785 51.5594 18.2771 176.0238 104 D 4.2152 8.8863 125.1523 57.2185 41.0936 176.1324 105 K 4.0668 8.9678 119.0713 55.2922 33.0668 175.4700 106 P 4.5488 0.0000 0.0000 62.5907 31.9577 177.5662 107 I 4.3646 8.4376 121.1427 63.9554 37.1862 177.9682 108 S 4.2923 7.9739 113.4951 60.2744 63.2664 174.4887 109 Q 4.4805 7.8493 119.2462 55.7435 28.8191 175.4454 110 G 3.8103 8.2535 104.0161 46.5226 0.0000 174.2442 111 G 4.1652 7.8100 108.4421 43.0813 0.0000 174.0015 112 E 4.4363 8.4188 125.0126 55.2453 30.8241 176.5908 113 V 3.4613 8.3597 124.3436 65.7822 31.9846 176.8766 114 Y 4.1672 7.4964 115.5798 57.6712 39.0536 175.6597 115 D 4.5968 8.0344 121.2889 53.4930 41.0788 175.9657 116 M 4.5817 9.3173 122.8060 56.3637 31.6444 176.7538 117 D 4.7279 8.1447 119.2003 54.8725 42.5649 177.1436 118 N 4.5281 8.2013 117.4171 55.1471 39.3907 174.5608 119 I 4.5942 7.6110 118.9177 61.1920 38.2009 175.7163 120 R 4.8987 8.9897 124.9067 54.3221 34.5662 174.5950 121 V 4.5606 8.9740 124.4348 62.9165 32.7347 174.9632 122 T 5.8915 9.4984 117.7039 58.9464 72.6537 173.3960 123 T 4.0950 8.7059 113.3206 61.3484 70.2672 173.7371 124 P 4.1315 0.0000 0.0000 65.6382 31.4119 178.2065 125 K 3.7843 8.1065 118.3802 59.7755 31.9431 178.6107 126 R 3.8373 7.6826 118.6241 59.7809 29.8159 177.8353 127 H 4.0521 8.3343 118.0122 59.3513 29.8724 177.2888 128 I 3.8025 7.8446 121.5420 64.3770 36.9467 178.1389 129 D 4.4201 8.3781 119.8381 57.0557 40.3120 179.0302 130 I 3.7264 7.7768 120.3266 64.6604 37.2310 177.5945 131 H 4.2074 7.5925 116.4392 59.0393 29.6941 177.2768 132 R 4.1595 7.7740 119.1414 59.1251 30.0709 177.4488 133 G 3.8533 7.6111 108.5393 45.0083 0.0000 173.1036 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 K 8.16 4.26 0.00 1.79 1.83 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.43 7.81 5 R 7.78 3.96 0.00 1.96 1.87 0.00 2.87 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 6 N 9.02 4.57 0.00 2.85 2.94 0.00 0.00 7.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.18 4.00 0.00 1.82 1.86 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.54 7.81 8 P 0.00 5.02 0.00 1.94 2.10 0.00 3.71 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 9 G 8.33 4.16 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 0.00 10 K 8.21 4.81 0.00 1.68 1.64 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.36 7.81 11 A 8.76 4.58 1.54 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 12 T 8.78 4.79 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 13 G 8.99 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 0.00 0.00 0.00 0.00 14 K 8.80 4.08 0.00 1.76 1.87 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 15 G 9.45 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 0.00 0.00 0.00 16 K 8.91 4.70 0.00 1.72 1.67 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.54 7.81 17 P 0.00 5.15 0.00 2.02 1.95 0.00 3.66 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 18 V 8.04 4.56 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 0.80 0.00 0.00 0.53 0.00 0.00 19 G 8.23 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 0.00 0.00 0.00 0.00 20 D 8.68 4.55 0.00 3.07 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 21 K 8.08 4.49 0.00 1.88 1.86 0.00 1.76 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.47 7.81 22 W 8.57 4.27 0.00 3.60 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.24 3.80 0.00 1.23 1.30 0.43 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.84 4.57 0.00 2.82 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 25 D 8.07 4.38 0.00 2.90 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 26 A 8.19 4.29 1.54 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 27 G 7.71 4.14 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 0.00 0.00 0.00 28 K 7.83 4.67 0.00 1.92 1.87 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.61 7.81 29 D 8.33 4.18 0.00 2.87 2.26 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 30 S 8.82 4.22 0.00 3.90 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 31 G 7.98 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 32 A 8.18 4.50 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 33 P 0.00 4.88 0.00 2.14 2.15 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 34 I 8.18 4.17 2.03 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 1.34 0.87 0.00 0.00 35 P 0.00 4.55 0.00 1.71 1.53 0.00 3.41 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.13 0.00 36 D 9.40 4.44 0.00 2.78 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 37 R 7.88 3.85 0.00 1.65 1.95 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 38 I 7.47 3.71 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.71 0.00 0.00 39 A 7.94 3.99 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 40 D 7.86 4.28 0.00 2.62 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 41 K 7.55 3.73 0.00 1.69 1.87 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.71 7.81 42 L 7.42 4.62 0.00 1.57 1.85 0.59 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.11 4.23 0.00 1.88 1.87 0.00 3.43 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 44 D 8.85 4.47 0.00 2.87 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 45 K 7.82 4.53 0.00 2.10 1.51 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.33 7.81 46 E 8.62 4.51 0.00 1.88 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 2.26 2.27 0.00 47 F 9.82 4.74 0.00 2.74 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 48 K 9.11 4.02 0.00 1.76 2.13 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.47 7.81 49 S 7.62 5.07 0.00 4.19 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 50 F 8.52 4.17 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.42 4.36 0.00 2.91 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 52 D 8.10 4.45 0.00 3.07 3.03 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 53 F 7.94 3.06 0.00 2.59 2.60 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 0.00 0.00 0.00 0.00 54 R 8.57 3.40 0.00 1.69 1.90 0.00 3.43 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 55 K 8.03 4.23 0.00 2.07 1.84 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 56 A 7.82 3.90 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 57 V 6.84 3.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.11 0.00 0.00 58 W 7.56 4.69 0.00 3.40 3.14 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 59 E 8.11 4.46 0.00 2.04 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 2.35 2.41 0.00 60 E 7.99 4.01 0.00 1.85 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 2.45 2.39 0.00 61 V 7.65 3.75 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 1.39 0.00 0.00 1.17 0.00 0.00 62 S 8.26 4.46 0.00 4.13 4.19 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 63 K 7.63 4.35 0.00 1.96 1.90 0.00 1.93 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.66 7.81 64 D 8.32 4.69 0.00 2.69 2.54 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 65 P 0.00 4.22 0.00 2.19 2.12 0.00 3.66 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 2.12 2.22 0.00 66 E 8.23 3.93 0.00 2.03 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 2.31 2.35 0.00 67 L 7.75 4.16 0.00 1.77 1.69 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.17 4.70 0.00 4.09 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 69 K 8.06 3.98 0.00 1.96 1.88 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.57 7.81 70 N 8.04 4.71 0.00 2.83 2.89 0.00 0.00 6.93 7.85 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 71 L 7.42 4.25 0.00 1.69 1.63 0.97 0.92 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 72 N 8.50 4.67 0.00 3.00 3.00 0.00 0.00 6.25 7.76 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 73 P 0.00 4.32 0.00 2.19 2.15 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 74 S 8.03 4.05 0.00 3.89 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 75 N 9.51 4.43 0.00 2.91 2.86 0.00 0.00 7.08 5.12 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 76 K 8.21 3.96 0.00 1.84 1.90 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.61 7.81 77 S 7.45 4.13 0.00 4.15 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 78 S 7.78 4.36 0.00 3.90 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 79 V 7.84 4.01 2.47 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 0.98 0.00 0.00 1.10 0.00 0.00 80 S 7.80 4.41 0.00 3.94 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 81 K 8.12 4.55 0.00 2.06 1.92 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.76 7.81 82 G 8.12 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 83 Y 7.48 4.63 0.00 3.07 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 84 S 8.28 2.79 0.00 3.92 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 85 P 0.00 4.39 0.00 2.05 1.86 0.00 2.53 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 1.71 1.24 0.00 86 F 9.11 4.62 0.00 3.02 2.95 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 87 T 8.14 3.93 3.82 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 0.36 0.00 0.00 88 P 0.00 4.39 0.00 2.17 2.00 0.00 3.53 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 2.11 2.08 0.00 89 K 8.83 3.76 0.00 1.78 1.79 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.48 7.81 90 N 8.06 4.61 0.00 2.85 2.90 0.00 0.00 5.86 7.39 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 91 Q 8.36 4.47 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 92 Q 7.70 4.68 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.56 0.00 93 V 8.14 4.22 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 1.05 0.00 0.00 0.92 0.00 0.00 94 G 8.46 3.86 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 0.00 0.00 0.00 95 G 9.03 3.68 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 0.00 0.00 0.00 96 R 8.24 4.46 0.00 2.00 1.88 0.00 3.07 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 97 K 8.55 4.62 0.00 1.98 2.19 0.00 1.68 0.00 0.00 2.04 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.76 1.58 7.81 98 V 7.29 4.65 1.88 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 -0.11 0.00 0.00 0.79 0.00 0.00 99 Y 7.87 4.38 0.00 2.90 3.10 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 0.00 100 E 9.83 4.80 0.00 1.82 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 2.24 2.35 0.00 101 L 8.98 4.66 0.00 1.96 2.00 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.51 4.85 0.00 3.10 3.39 0.00 5.58 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 0.00 103 A 8.31 3.93 1.08 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 0.00 0.00 104 D 8.89 4.22 0.00 2.82 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 0.00 105 K 8.97 4.07 0.00 1.89 1.72 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.40 7.81 106 P 0.00 4.55 0.00 2.20 1.96 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 107 I 8.44 4.36 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.31 0.83 0.00 0.00 108 S 7.97 4.29 0.00 3.96 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 0.00 109 Q 7.85 4.48 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 110 G 8.25 3.81 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 0.00 0.00 0.00 111 G 7.81 4.17 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 0.00 112 E 8.42 4.44 0.00 1.94 1.84 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 2.30 2.31 0.00 113 V 8.36 3.46 1.69 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 0.03 0.00 0.00 0.76 0.00 0.00 114 Y 7.50 4.17 0.00 3.09 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 0.00 0.00 0.00 0.00 115 D 8.03 4.60 0.00 2.80 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 0.00 116 M 9.32 4.58 0.00 1.98 2.28 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.83 0.00 117 D 8.14 4.73 0.00 2.73 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 0.00 118 N 8.20 4.53 0.00 2.94 2.86 0.00 0.00 7.05 7.49 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 0.00 119 I 7.61 4.59 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 1.06 0.00 0.00 120 R 8.99 4.90 0.00 1.78 1.94 0.00 3.34 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 121 V 8.97 4.56 2.04 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 0.99 0.00 0.00 0.97 0.00 0.00 122 T 9.50 5.89 4.29 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 1.27 0.00 0.00 123 T 8.71 4.09 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 1.12 0.00 0.00 124 P 0.00 4.13 0.00 2.28 2.12 0.00 3.43 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 2.12 2.15 0.00 125 K 8.11 3.78 0.00 1.84 1.93 0.00 1.80 0.00 0.00 1.56 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.46 7.81 126 R 7.68 3.84 0.00 1.93 2.02 0.00 3.21 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 127 H 8.33 4.05 0.00 3.26 3.43 0.00 5.83 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 0.00 128 I 7.84 3.80 1.85 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 1.81 1.24 0.89 0.00 0.00 129 D 8.38 4.42 0.00 2.79 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 0.00 130 I 7.78 3.73 1.86 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 1.40 0.55 0.90 0.00 0.00 131 H 7.59 4.21 0.00 3.19 3.28 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.77 4.16 0.00 1.85 1.97 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 133 G 7.61 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