NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2817 8.2531 123.5700 51.7065 19.8704 176.7315 16 G 3.5535 8.3575 108.1550 47.9196 0.0000 173.7885 17 I 3.9000 8.0081 121.1239 63.8184 38.4540 175.3811 18 T 3.9416 7.6020 116.4640 63.0071 69.4740 174.5434 19 G 3.5160 7.0993 112.9493 45.3378 0.0000 171.3031 20 T 4.8354 7.5674 118.8710 61.4570 71.1528 174.1003 21 W 4.9810 8.7551 124.5883 55.0439 33.6393 173.8713 22 Y 5.4994 9.4784 120.5699 56.4728 41.3815 175.1997 23 N 5.3817 9.1281 120.6872 50.7141 39.9958 175.4523 24 Q 4.2657 8.6465 115.4455 58.0523 29.1614 176.6015 25 L 4.2438 7.8965 116.9014 54.8124 41.9994 177.1293 26 G 4.1308 7.7917 105.0820 45.1594 0.0000 174.3126 27 S 4.8593 8.6845 116.3541 58.2555 64.9369 173.3000 28 T 5.1025 8.6211 117.2691 61.8589 72.8396 172.9354 29 F 4.9624 8.9208 126.2674 56.4149 42.8191 173.3773 30 I 4.7249 8.7950 127.1412 59.3326 39.9039 175.0275 31 V 4.5492 8.2662 125.5011 60.1285 35.4010 174.1373 32 T 4.6999 8.7972 119.2876 61.7121 71.2707 173.0746 33 A 4.5689 8.7121 129.5906 50.3111 19.5420 177.3261 34 G 3.7818 9.1784 111.8900 45.5622 0.0000 174.0452 35 A 4.1312 8.5840 124.0441 54.1544 18.5648 178.1586 36 D 4.6008 8.0451 113.8694 53.1328 39.9542 177.3604 37 G 3.4236 8.2525 108.8947 44.8685 0.0000 173.4859 38 A 4.7976 8.2874 122.5280 51.6820 20.0051 176.4360 39 L 5.2460 8.8684 121.6837 53.1572 44.5548 175.8773 40 T 4.9018 8.7201 112.6868 59.5588 72.4867 174.2123 41 G 4.0533 7.5341 109.4780 46.6078 0.0000 171.3920 42 T 5.1963 7.9437 117.2538 62.0302 73.4084 172.4959 43 Y 4.9598 9.3384 127.2778 55.8007 41.4214 174.2172 44 V 5.2425 8.3333 127.2972 61.1574 34.2553 175.4223 45 T 4.8171 9.0816 118.5626 61.1925 69.8735 175.2062 46 A 4.2468 8.8339 123.9925 55.3362 18.1382 179.1132 47 R 3.8887 7.9760 116.0479 57.5231 30.2350 178.2428 48 G 4.0056 8.0621 104.0228 45.6695 0.0000 173.1581 49 N 4.5401 7.4576 118.2050 52.4713 39.3980 175.7934 50 A 3.9309 8.2662 124.0106 55.1219 18.5607 179.0774 51 E 4.0995 7.7424 112.3695 57.4605 29.7187 177.0339 52 S 4.9655 8.2190 114.8123 58.2986 64.5188 173.3727 53 R 5.2648 7.4411 118.6549 54.9043 31.8024 175.4624 54 Y 4.7969 8.8986 119.5782 56.0377 42.7017 174.8975 55 V 4.3761 8.6040 122.8959 62.9263 32.6905 175.0533 56 L 5.2134 8.8393 126.4119 54.4315 44.0717 175.1517 57 T 5.0238 8.5568 113.9349 61.3488 71.4405 173.3894 58 G 4.6937 8.7769 112.1990 46.4781 0.0000 172.0770 59 R 5.5770 8.7110 117.9142 55.1952 35.0016 173.9507 60 Y 5.2266 8.4657 118.2862 55.6018 41.4809 174.2432 61 D 4.3207 9.0703 120.7681 54.0134 40.9703 176.6883 62 S 4.3088 8.1985 120.5303 58.6325 64.0049 174.2889 63 A 4.6698 7.8892 123.1264 50.2966 18.4227 173.5655 64 P 4.7930 0.0000 0.0000 60.3940 33.0685 177.0208 65 A 4.2208 8.3693 121.7450 52.8367 18.6920 177.3086 66 T 4.6275 8.3732 109.0788 61.6586 69.1896 174.7062 67 D 4.7902 8.3316 118.6019 53.9699 39.6427 176.6854 68 G 4.0674 8.3276 107.5232 45.6954 0.0000 174.7364 69 S 4.2778 7.8480 115.7145 58.0740 63.3354 174.1824 70 G 3.9889 8.3442 110.5559 46.2065 0.0000 172.6357 71 T 4.8242 8.8603 116.6108 61.3774 70.4000 174.6747 72 A 4.8033 8.6995 129.2908 52.3423 19.9287 175.8268 73 L 4.9692 8.9046 119.7968 55.6172 44.4770 173.8646 74 G 4.6622 9.0783 105.8689 45.7591 0.0000 171.9389 75 W 5.7641 8.5351 116.6959 55.6661 32.2063 173.4671 76 T 5.1981 9.2635 116.7611 61.8113 72.1913 173.2181 77 V 4.6157 8.6904 124.5457 60.9630 34.2079 173.8924 78 A 4.6238 8.3232 129.3291 49.4384 20.6126 177.6559 79 W 4.3064 8.4658 124.8617 55.5711 28.2477 176.3986 80 K 5.2222 7.8232 118.2274 54.6752 35.1776 174.5189 81 N 5.0801 8.8508 122.8286 51.6756 39.8938 173.6040 82 N 4.4334 8.6091 113.8663 55.0734 38.8700 175.1616 83 Y 4.6193 8.3847 115.9587 58.6730 40.2281 175.6726 84 R 4.7255 7.9318 113.6678 54.9443 32.5816 173.3998 85 N 5.1763 8.4637 116.1511 52.6327 40.8779 173.3697 86 A 4.3570 9.2141 128.7347 51.4901 19.7498 176.5707 87 H 4.1423 8.7894 114.7257 56.3979 26.8254 173.2311 88 S 5.1812 7.2808 112.0028 57.7652 66.8982 174.9529 89 A 5.0740 9.1365 121.6523 50.7663 22.7904 175.1481 90 T 4.9085 8.6319 118.4309 61.7481 71.5711 173.4225 91 T 5.0293 8.5287 115.9219 59.6837 71.7695 172.9098 92 W 5.0344 8.7155 124.7817 54.9077 31.7418 174.8410 93 S 4.8312 8.6575 118.9424 56.9130 64.8863 173.1453 94 G 4.5385 8.3683 112.8935 46.7103 0.0000 171.6881 95 Q 5.2597 8.3719 118.0520 54.4633 33.9253 173.7433 96 Y 4.7628 9.1605 124.5153 56.8783 40.6990 174.2395 97 V 3.8926 8.1964 126.2303 61.1807 34.3451 175.2922 98 G 4.3848 7.5723 115.9565 43.5300 0.0000 169.8500 99 G 3.8261 8.7695 103.9037 43.8315 0.0000 174.3838 100 A 4.1301 8.6230 121.0745 54.3171 18.8941 178.1763 101 E 4.6808 7.1887 112.3437 55.2592 29.5427 176.3829 102 A 4.4856 7.7174 119.8108 52.9828 19.6490 178.4953 103 R 5.2818 9.0601 118.2519 55.3525 35.7550 174.1477 104 I 4.8630 9.2151 122.1708 59.8544 40.1845 174.3219 105 N 5.4166 9.1326 125.6351 51.9349 40.6141 174.5033 106 T 5.2934 9.3087 113.4082 60.1019 73.1030 172.5845 107 Q 5.1064 8.9983 120.8848 53.8258 32.2254 174.8765 108 W 5.2911 8.4831 119.1935 54.5758 32.2659 174.0350 109 L 5.1629 8.7484 120.5066 53.0317 44.7044 175.1576 110 L 4.9217 9.1763 126.8651 53.6873 44.1077 174.9684 111 T 5.1615 8.8628 123.5237 61.9399 71.2642 173.5039 112 S 5.1050 8.7538 122.5752 56.4032 65.2613 174.4479 113 G 3.8749 8.6996 111.6438 46.6311 0.0000 173.0207 114 T 4.7600 8.2414 113.3997 59.5252 72.4290 173.2525 115 T 4.5280 8.0089 111.8842 60.8444 69.8138 175.3956 116 E 3.9346 8.7299 121.1679 59.4978 29.6163 178.8670 117 A 4.1826 8.0665 120.5158 54.6032 18.8979 177.6463 118 N 4.6126 8.0131 111.2364 52.8990 39.0743 176.7369 119 A 4.3236 8.1477 123.8276 54.1063 18.6478 180.4097 120 W 4.3004 8.2151 112.4677 58.7274 28.1285 176.8808 121 K 4.3856 6.7104 116.9075 56.2680 32.1529 177.4743 122 S 4.1441 7.9932 117.6361 61.0050 63.3917 173.6700 123 T 5.0303 7.6141 116.7164 61.6355 70.9924 173.6580 124 L 4.7751 9.0955 127.4951 53.4264 43.9401 176.1229 125 V 4.4224 7.8049 120.9597 60.2536 34.3323 174.9928 126 G 2.9945 6.5496 108.2481 45.7224 0.0000 171.3183 127 H 5.4450 7.9571 113.6793 54.2015 31.8829 172.6236 128 D 4.9661 9.0983 117.9012 53.3411 45.5071 174.2771 129 T 5.1537 8.4161 117.6397 61.8787 71.5227 173.1164 130 F 5.3935 9.5310 125.3980 55.9677 42.1413 174.7285 131 T 5.6007 9.4270 112.2928 60.0999 72.0305 174.8954 132 K 3.7146 8.8585 120.3680 57.3135 32.6468 177.3941 133 V 4.4551 7.5439 117.4242 60.6041 34.2849 174.9231 134 K 3.9712 8.1022 124.5891 56.5413 31.9663 176.4022 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 15 A 8.25 4.28 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 16 G 8.36 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.01 3.90 1.33 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 0.72 -0.36 0.47 0.00 0.00 18 T 7.60 3.94 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 1.15 0.00 0.00 19 G 7.10 3.52 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 0.00 20 T 7.57 4.84 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 0.79 0.00 0.00 21 W 8.76 4.98 0.00 3.25 3.26 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 22 Y 9.48 5.50 0.00 3.06 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 23 N 9.13 5.38 0.00 2.51 2.29 0.00 0.00 6.62 6.67 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 24 Q 8.65 4.27 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 25 L 7.90 4.24 0.00 1.74 1.80 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.79 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 27 S 8.68 4.86 0.00 4.14 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 28 T 8.62 5.10 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 0.97 0.00 0.00 29 F 8.92 4.96 0.00 2.42 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 30 I 8.80 4.72 1.73 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 1.12 0.36 0.75 0.00 0.00 31 V 8.27 4.55 1.46 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 0.15 0.00 0.00 0.55 0.00 0.00 32 T 8.80 4.70 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 1.14 0.00 0.00 33 A 8.71 4.57 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.18 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.58 4.13 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 36 D 8.05 4.60 0.00 2.77 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 37 G 8.25 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.29 4.80 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 39 L 8.87 5.25 0.00 1.74 1.50 1.14 0.21 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 40 T 8.72 4.90 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 1.21 0.00 0.00 41 G 7.53 4.05 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 0.00 0.00 0.00 42 T 7.94 5.20 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 1.29 0.00 0.00 43 Y 9.34 4.96 0.00 2.96 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 44 V 8.33 5.24 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 1.08 0.00 0.00 0.99 0.00 0.00 45 T 9.08 4.82 4.39 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 1.66 0.00 0.00 46 A 8.83 4.25 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.98 3.89 0.00 1.89 1.99 0.00 3.22 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 48 G 8.06 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 0.00 0.00 0.00 49 N 7.46 4.54 0.00 2.65 2.78 0.00 0.00 7.07 7.60 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 50 A 8.27 3.93 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 51 E 7.74 4.10 0.00 1.86 1.90 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 2.05 1.50 0.00 52 S 8.22 4.97 0.00 4.03 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 53 R 7.44 5.26 0.00 1.67 1.84 0.00 3.11 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 54 Y 8.90 4.80 0.00 3.06 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 55 V 8.60 4.38 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 0.80 0.00 0.00 0.95 0.00 0.00 56 L 8.84 5.21 0.00 1.99 1.76 0.82 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.56 5.02 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 58 G 8.78 4.69 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 0.00 0.00 0.00 59 R 8.71 5.58 0.00 1.77 1.79 0.00 3.32 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 60 Y 8.47 5.23 0.00 3.11 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 61 D 9.07 4.32 0.00 2.81 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 62 S 8.20 4.31 0.00 3.89 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.89 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 64 P 0.00 4.79 0.00 2.28 2.18 0.00 3.45 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.37 4.22 1.35 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 0.00 0.00 0.00 0.00 0.00 66 T 8.37 4.63 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 1.25 0.00 0.00 67 D 8.33 4.79 0.00 2.79 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 68 G 8.33 4.07 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 0.00 0.00 0.00 69 S 7.85 4.28 0.00 3.95 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 70 G 8.34 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 0.00 0.00 0.00 71 T 8.86 4.82 4.57 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 1.46 0.00 0.00 72 A 8.70 4.80 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 73 L 8.90 4.97 0.00 1.99 1.95 1.28 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.08 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.54 5.76 0.00 3.57 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 76 T 9.26 5.20 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 1.25 0.00 0.00 77 V 8.69 4.62 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 -0.48 0.00 0.00 0.82 0.00 0.00 78 A 8.32 4.62 1.18 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 79 W 8.47 4.31 0.00 3.32 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 80 K 7.82 5.22 0.00 1.90 1.71 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.46 7.81 81 N 8.85 5.08 0.00 2.69 2.53 0.00 0.00 7.06 7.56 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 82 N 8.61 4.43 0.00 2.00 2.43 0.00 0.00 6.61 7.46 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 83 Y 8.38 4.62 0.00 3.08 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 84 R 7.93 4.73 0.00 2.05 2.09 0.00 3.05 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 85 N 8.46 5.18 0.00 2.66 2.63 0.00 0.00 6.89 7.96 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 86 A 9.21 4.36 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.79 4.14 0.00 3.28 3.28 0.00 5.66 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 88 S 7.28 5.18 0.00 4.00 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 89 A 9.14 5.07 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 90 T 8.63 4.91 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 -0.48 0.00 0.00 91 T 8.53 5.03 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 1.17 0.00 0.00 92 W 8.72 5.03 0.00 1.78 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 0.00 0.00 0.00 93 S 8.66 4.83 0.00 3.82 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.37 4.54 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 95 Q 8.37 5.26 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 96 Y 9.16 4.76 0.00 3.01 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 97 V 8.20 3.89 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 0.84 0.00 0.00 0.90 0.00 0.00 98 G 7.57 4.38 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 0.00 0.00 0.00 99 G 8.77 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 0.00 0.00 0.00 100 A 8.62 4.13 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 0.00 101 E 7.19 4.68 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 102 A 7.72 4.49 1.51 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 0.00 103 R 9.06 5.28 0.00 1.82 1.91 0.00 3.13 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 104 I 9.22 4.86 1.87 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 1.06 0.00 0.00 105 N 9.13 5.42 0.00 2.75 2.79 0.00 0.00 6.06 6.66 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 0.00 106 T 9.31 5.29 4.44 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 1.44 0.00 0.00 107 Q 9.00 5.11 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 108 W 8.48 5.29 0.00 2.76 2.32 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 0.00 109 L 8.75 5.16 0.00 1.54 1.56 0.89 0.30 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 0.00 110 L 9.18 4.92 0.00 1.51 1.63 0.63 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.86 5.16 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 1.19 0.00 0.00 112 S 8.75 5.10 0.00 3.65 3.71 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 0.00 113 G 8.70 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 0.00 0.00 0.00 114 T 8.24 4.76 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 1.19 0.00 0.00 115 T 8.01 4.53 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 1.19 0.00 0.00 116 E 8.73 3.93 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 117 A 8.07 4.18 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 0.00 118 N 8.01 4.61 0.00 2.70 2.52 0.00 0.00 6.82 8.14 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 0.00 119 A 8.15 4.32 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.22 4.30 0.00 3.53 3.21 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 0.00 121 K 6.71 4.39 0.00 1.40 0.74 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.39 0.80 7.81 122 S 7.99 4.14 0.00 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.61 5.03 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 0.00 124 L 9.10 4.78 0.00 1.78 1.76 0.95 0.51 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 0.00 125 V 7.80 4.42 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 0.57 0.00 0.00 0.72 0.00 0.00 126 G 6.55 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 7.96 5.45 0.00 3.18 3.10 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.10 4.97 0.00 3.10 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 0.00 0.00 0.00 0.00 129 T 8.42 5.15 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 1.32 0.00 0.00 130 F 9.53 5.39 0.00 3.12 3.35 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 0.00 0.00 0.00 131 T 9.43 5.60 4.43 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 1.40 0.00 0.00 132 K 8.86 3.71 0.00 1.60 1.64 0.00 1.52 0.00 0.00 1.32 0.00 0.00 2.14 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.58 7.81 133 V 7.54 4.46 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 0.77 0.00 0.00 0.91 0.00 0.00 134 K 8.10 3.97 0.00 0.79 1.27 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.23 7.81