NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.8085 8.4449 117.8329 56.2632 29.9927 172.9406 1D H 4.5076 8.7639 118.6317 55.8037 29.5379 173.1021 1E H 5.0819 7.5938 115.5484 53.5566 33.5328 171.9427 1F H 4.5817 8.9193 116.9725 56.0828 28.7967 174.3382 1G F 4.8886 8.4209 119.2900 57.8626 39.9016 174.1196 2 N 4.6296 8.5418 117.3124 52.3371 38.9151 174.5260 3 L 4.7272 8.1153 123.5133 52.2688 43.7491 174.6387 4 P 4.5843 0.0000 0.0000 61.1443 32.5798 174.0850 5 P 4.3274 0.0000 0.0000 62.7193 32.0949 174.2442 6 G 3.7042 8.0289 104.5254 44.2366 0.0000 171.9491 7 N 4.5014 7.9716 115.6419 52.0212 40.0771 173.6796 8 Y 4.7688 7.9524 113.4651 57.6325 38.6482 176.9880 9 K 4.0659 8.0770 120.7218 59.0664 32.2834 177.0792 10 K 4.6993 7.6031 115.0022 53.5173 35.0732 174.1910 11 P 4.8905 0.0000 0.0000 63.1984 32.9115 175.0532 12 K 5.1679 9.4059 120.0908 56.1209 36.8108 174.6281 13 L 5.1882 9.1737 120.0422 53.4149 44.5066 176.3708 14 L 5.0797 8.8410 121.4715 53.3698 43.7026 173.9650 15 Y 4.9063 9.5558 126.4632 56.6957 40.6187 173.4512 16 C 4.2874 8.9787 128.7069 56.6798 32.2352 174.4802 17 S 3.7796 8.2784 122.0080 61.0390 62.8255 174.9131 18 N 4.0423 7.6673 118.6784 56.1870 38.4235 175.2104 19 G 3.8644 7.6240 102.8679 44.3495 0.0000 172.0760 20 G 3.5444 7.7319 106.7391 44.7816 0.0000 173.1683 21 H 4.9896 6.9814 114.0546 53.6522 33.6373 174.2201 22 F 5.3825 8.9162 120.3883 56.0011 40.2062 175.3202 23 L 4.6410 9.1952 126.4840 55.9020 43.1638 175.7794 24 R 5.1337 9.8337 125.4875 54.7871 34.0317 173.7476 25 I 4.8936 8.4136 125.9155 59.3888 39.1485 175.7700 26 L 4.0976 9.1555 128.0485 53.6391 42.1506 177.0854 27 P 4.2221 0.0000 0.0000 65.3737 31.3362 177.3425 28 D 4.4871 8.0350 115.4798 53.4681 39.8029 177.0334 29 G 4.4418 8.5498 109.2201 45.9476 0.0000 173.2304 30 T 4.3907 8.4117 115.1570 61.1959 68.0939 173.6129 31 V 4.9129 7.7506 127.1655 61.3072 34.2939 174.6869 32 D 4.5469 8.4392 123.7884 53.3608 43.5822 174.4863 33 G 4.6454 8.8080 104.7228 45.4590 0.0000 172.3413 34 T 5.0032 8.8260 114.7078 60.5311 70.9375 174.8363 35 R 4.1475 8.9290 124.9228 57.3268 30.8434 176.6172 36 D 4.6122 8.2007 118.8057 53.2385 39.8173 176.4296 37 R 3.5652 8.6224 127.4616 58.3356 30.2421 177.3361 38 S 4.3709 8.2872 110.7809 58.4415 63.7472 174.0330 39 D 4.3286 7.8591 121.4968 55.2676 41.1171 176.3422 40 Q 4.0946 8.5358 123.4524 57.3940 29.4424 176.0902 41 H 4.7683 9.4647 116.5476 55.4754 29.0614 174.9412 42 I 4.5169 7.4078 110.4325 59.8578 38.4847 174.6542 43 Q 4.5071 7.2019 122.3200 54.4793 30.9346 174.4939 44 F 5.3112 9.0509 122.3377 55.6515 43.5555 173.7449 45 Q 4.8508 9.6389 124.8393 54.7209 30.3139 174.4943 46 L 5.2115 8.6580 126.8019 54.0304 43.5470 176.2412 47 S 4.5532 8.5338 114.8950 56.9779 66.6786 172.9512 48 A 4.6402 8.3452 122.9417 52.4243 20.7631 176.3874 49 E 4.0833 9.0066 120.6451 56.5781 29.6682 178.4073 50 S 4.6109 5.8100 115.6149 56.6010 65.3628 173.5893 51 V 3.9013 8.2014 121.2722 64.9061 31.4327 176.2272 52 G 3.9640 9.2515 115.0406 45.1062 0.0000 171.9352 53 E 5.1682 8.1126 119.7142 54.6959 32.2330 175.6111 54 V 4.8659 8.7625 115.9729 59.8884 36.8601 173.7855 55 Y 5.0739 8.8302 120.1003 56.4422 40.9013 175.1871 56 I 4.2458 8.6285 123.9195 59.6444 39.5955 173.9700 57 K 4.6448 8.7204 129.4721 53.9528 34.6807 175.2308 58 S 4.7452 9.0440 123.6515 58.8324 62.6044 174.9819 59 T 3.8671 8.5720 118.6965 64.5673 68.7712 175.9807 60 E 4.0140 8.2538 122.7058 58.8107 29.9115 177.1502 61 T 4.2498 8.0561 106.4213 61.2161 69.9527 175.7699 62 G 3.8775 8.1090 110.1178 44.9009 0.0000 173.7352 63 Q 4.4435 7.7601 118.9882 56.2380 30.2057 174.7544 64 Y 5.0592 8.9901 120.1103 56.0026 40.6398 175.1430 65 L 4.3799 8.9221 125.8927 55.3923 43.4220 175.5954 66 A 4.9860 8.6087 125.8939 50.8764 23.3439 174.4846 67 M 5.2957 8.6370 119.0544 53.8617 34.8873 175.4874 68 D 5.2378 9.5472 126.0541 51.7417 41.0229 177.2496 69 T 4.2901 8.5228 108.6947 64.3341 68.5937 174.5982 70 D 4.5923 8.3768 120.0627 54.0602 41.5437 176.8676 71 G 3.1185 8.8032 108.4609 45.4916 0.0000 172.7534 72 L 4.7599 8.0727 119.7666 52.7278 43.0896 176.3337 73 L 5.0245 8.3363 123.0285 55.3659 42.6967 175.5557 74 Y 4.9140 8.7659 118.4733 56.3035 41.8801 173.3305 75 G 4.1998 8.9835 108.7793 45.4175 0.0000 173.2025 76 S 5.0942 9.0622 121.4108 56.8588 63.9710 175.3406 77 Q 4.3603 9.0417 125.1228 58.1585 28.9696 176.3752 78 T 4.6768 7.5686 106.2839 59.0171 71.7091 172.7198 79 P 3.8029 0.0000 0.0000 61.0424 30.0332 174.7930 80 N 5.0358 7.5825 125.4026 51.4149 40.2190 175.7692 81 E 3.9550 8.7055 114.9217 59.5096 29.6123 177.6087 82 E 4.1283 8.9846 118.6159 57.6998 29.7905 177.3789 83 C 4.9433 7.9030 115.2287 58.8463 29.1997 173.4258 84 L 4.1793 7.2452 121.2876 53.7871 42.6624 175.7291 85 F 5.1721 8.7723 121.7607 55.5250 43.3330 174.4732 86 L 4.7359 9.1685 122.8913 53.9039 42.5266 175.5244 87 E 4.3903 8.9439 127.0651 55.3083 30.1926 175.7443 88 R 4.7930 8.5405 125.1567 54.0601 35.0374 174.4732 89 L 4.6878 8.7064 123.6745 55.2695 43.0863 175.8365 90 E 4.7121 9.1307 124.8737 55.2405 33.6366 174.8649 91 E 4.0183 9.7699 123.5411 57.8669 27.3396 174.3860 92 N 4.3248 8.5543 110.2628 54.2175 36.6266 174.1747 93 H 4.7577 8.6810 116.4604 57.7788 36.2457 173.4900 94 Y 4.5106 7.8736 115.9199 57.4728 40.0933 173.3758 95 N 5.5646 9.4439 118.0748 51.9444 41.2679 174.6032 96 T 5.2239 8.7296 112.6917 60.0982 72.8387 172.6154 97 Y 4.8991 8.6580 119.9544 56.6028 40.9769 174.2822 98 I 4.6175 8.5783 126.1758 59.1642 39.5743 175.6104 99 S 4.0287 8.9602 122.0841 58.6121 62.9053 174.9232 100 K 3.8925 8.7773 129.2225 59.4155 32.3147 178.6549 101 K 3.7467 7.9373 118.1487 59.1756 32.1727 176.8922 102 H 4.7566 8.0460 115.1437 54.9154 29.5330 176.4552 103 A 4.0462 8.0173 125.0725 54.5543 18.2507 180.7908 104 E 3.7647 7.8294 111.7181 58.3465 29.7435 177.6336 105 K 3.9533 7.5879 117.6096 55.6060 32.8345 175.7886 106 N 3.9464 7.4833 115.6345 54.0385 36.3438 174.5280 107 W 5.1093 7.5848 117.5298 55.4684 31.3768 177.2755 108 F 5.4470 9.0954 123.2825 55.3610 41.8051 175.3004 109 V 3.9743 8.9893 121.3171 63.0147 32.4793 175.2132 110 G 4.4104 8.4222 112.4705 45.6236 0.0000 171.6106 111 L 5.3551 8.3411 119.6255 52.5948 45.9499 177.1590 112 K 4.2300 8.9584 122.2867 55.3117 33.0291 178.3858 113 K 4.1012 8.5057 119.8556 59.3817 31.9154 177.8941 114 N 4.5371 8.0306 113.5945 52.9495 37.9519 175.8416 115 G 3.5462 8.5763 109.6994 45.0648 0.0000 173.9292 116 S 4.6228 8.3949 115.0133 57.5169 64.1548 173.5797 117 C 4.7432 8.3385 119.1986 60.1212 28.6580 173.2309 118 K 4.5111 8.6731 121.2594 55.3282 33.5940 176.4938 119 R 4.1163 8.4131 122.2124 55.4318 31.4785 177.6565 120 G 3.3941 8.7731 111.8166 47.5409 0.0000 174.3405 121 P 4.5099 0.0000 0.0000 64.0378 31.4469 177.7829 122 R 4.4688 8.2085 116.1243 55.2469 30.5889 175.9898 123 T 5.1217 7.0580 109.1053 59.7305 70.9865 173.3398 124 H 4.7285 7.8051 115.2772 55.0856 30.3528 173.2229 125 Y 3.8955 8.7773 118.4602 59.8421 38.1225 176.7481 126 G 4.1237 9.0096 111.2016 45.7835 0.0000 174.1734 127 Q 4.2212 7.4954 118.7199 55.2305 29.8676 176.9695 128 K 3.8550 8.2382 118.3921 58.4591 32.9394 179.4230 129 A 3.9725 8.0202 121.1137 53.8678 18.3334 178.4212 130 I 4.4382 7.1511 106.0354 60.3544 38.0195 175.2958 131 L 4.3537 7.2923 123.2166 54.0887 42.5448 175.8473 132 F 5.1466 9.5402 122.6773 55.5652 43.3518 174.3352 133 L 5.2409 9.2765 121.4317 52.4320 44.3127 174.1163 134 P 5.1837 0.0000 0.0000 62.4431 32.2846 175.4404 135 L 4.9512 9.1425 125.9519 51.6202 44.2535 174.4318 136 P 4.4820 0.0000 0.0000 63.4779 31.7471 176.2885 137 V 3.8224 8.0701 121.1298 63.2286 31.0684 175.5776 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 1C H 8.44 4.81 0.00 3.11 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.76 4.51 0.00 3.22 3.22 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.59 5.08 0.00 3.16 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.92 4.58 0.00 3.32 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.42 4.89 0.00 2.88 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 2 N 8.54 4.63 0.00 2.94 2.79 0.00 0.00 6.91 6.74 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 3 L 8.12 4.73 0.00 1.48 1.42 0.59 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.58 0.00 2.15 2.09 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 5 P 0.00 4.33 0.00 2.17 2.06 0.00 3.71 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 1.95 1.93 0.00 6 G 8.03 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 7 N 7.97 4.50 0.00 2.65 2.65 0.00 0.00 5.87 7.55 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 8 Y 7.95 4.77 0.00 3.07 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 9 K 8.08 4.07 0.00 1.80 1.93 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.65 7.81 10 K 7.60 4.70 0.00 1.73 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.43 7.81 11 P 0.00 4.89 0.00 1.97 2.01 0.00 3.84 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 12 K 9.41 5.17 0.00 1.89 1.98 0.00 1.41 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.56 7.81 13 L 9.17 5.19 0.00 1.76 1.75 0.51 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.84 5.08 0.00 1.61 1.50 0.23 0.73 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 15 Y 9.56 4.91 0.00 3.31 3.15 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 16 C 8.98 4.29 0.00 2.45 2.40 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 17 S 8.28 3.78 0.00 3.90 4.02 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 0.00 0.00 0.00 18 N 7.67 4.04 0.00 2.51 2.70 0.00 0.00 6.71 7.98 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 19 G 7.62 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 20 G 7.73 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 21 H 6.98 4.99 0.00 3.01 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.92 5.38 0.00 3.13 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 23 L 9.20 4.64 0.00 1.91 1.68 0.90 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.83 5.13 0.00 1.97 2.10 0.00 3.29 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 25 I 8.41 4.89 2.06 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 1.26 0.98 0.97 0.00 0.00 26 L 9.16 4.10 0.00 1.86 1.54 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.22 0.00 2.02 2.11 0.00 3.50 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 28 D 8.03 4.49 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 29 G 8.55 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 0.00 0.00 0.00 0.00 30 T 8.41 4.39 4.59 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 1.27 0.00 0.00 31 V 7.75 4.91 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 0.97 0.00 0.00 0.98 0.00 0.00 32 D 8.44 4.55 0.00 2.82 2.75 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 33 G 8.81 4.65 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 0.00 0.00 0.00 34 T 8.83 5.00 4.34 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 1.49 0.00 0.00 35 R 8.93 4.15 0.00 1.90 2.02 0.00 3.24 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 36 D 8.20 4.61 0.00 2.84 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 37 R 8.62 3.57 0.00 1.85 1.96 0.00 2.61 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 38 S 8.29 4.37 0.00 3.97 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 39 D 7.86 4.33 0.00 2.74 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 40 Q 8.54 4.09 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.13 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 41 H 9.46 4.77 0.00 3.30 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.41 4.52 1.91 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.98 1.02 0.00 0.00 43 Q 7.20 4.51 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 44 F 9.05 5.31 0.00 2.90 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.64 4.85 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 46 L 8.66 5.21 0.00 1.81 1.48 1.00 1.03 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 47 S 8.53 4.55 0.00 3.92 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 48 A 8.35 4.64 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 49 E 9.01 4.08 0.00 1.76 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 0.00 2.22 2.33 0.00 50 S 5.81 4.61 0.00 4.07 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 51 V 8.20 3.90 2.37 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 0.94 0.00 0.00 1.05 0.00 0.00 52 G 9.25 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.11 5.17 0.00 1.84 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 2.22 2.29 0.00 54 V 8.76 4.87 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 0.76 0.00 0.00 1.16 0.00 0.00 55 Y 8.83 5.07 0.00 2.98 3.09 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 56 I 8.63 4.25 1.57 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.59 0.16 0.00 0.00 57 K 8.72 4.64 0.00 1.51 1.62 0.00 0.99 0.00 0.00 1.39 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.99 0.33 7.81 58 S 9.04 4.75 0.00 4.02 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 59 T 8.57 3.87 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 1.19 0.00 0.00 60 E 8.25 4.01 0.00 1.91 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 2.14 2.33 0.00 61 T 8.06 4.25 4.25 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 1.25 0.00 0.00 62 G 8.11 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.76 4.44 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 64 Y 8.99 5.06 0.00 2.94 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 65 L 8.92 4.38 0.00 1.40 1.37 0.71 -0.16 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 66 A 8.61 4.99 0.52 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 67 M 8.64 5.30 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 68 D 9.55 5.24 0.00 3.00 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 69 T 8.52 4.29 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 70 D 8.38 4.59 0.00 2.77 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 71 G 8.80 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 0.00 0.00 0.00 72 L 8.07 4.76 0.00 1.98 1.60 0.86 0.34 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 73 L 8.34 5.02 0.00 1.56 1.60 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.77 4.91 0.00 3.01 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 75 G 8.98 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 0.00 0.00 0.00 0.00 76 S 9.06 5.09 0.00 3.71 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 77 Q 9.04 4.36 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.57 4.68 4.15 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 1.22 0.00 0.00 79 P 0.00 3.80 0.00 1.03 0.49 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 80 N 7.58 5.04 0.00 2.93 2.96 0.00 0.00 5.86 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.71 3.96 0.00 2.04 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 2.27 2.32 0.00 82 E 8.98 4.13 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 83 C 7.90 4.94 0.00 3.24 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 84 L 7.25 4.18 0.00 1.33 1.30 0.79 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.77 5.17 0.00 3.12 3.06 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 86 L 9.17 4.74 0.00 1.51 1.60 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.94 4.39 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 88 R 8.54 4.79 0.00 1.74 1.77 0.00 3.06 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 89 L 8.71 4.69 0.00 1.72 1.68 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.13 4.71 0.00 2.21 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 2.28 2.41 0.00 91 E 9.77 4.02 0.00 2.37 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 0.00 2.28 2.38 0.00 92 N 8.55 4.32 0.00 2.85 2.89 0.00 0.00 6.86 8.16 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 93 H 8.68 4.76 0.00 2.86 2.96 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.87 4.51 0.00 3.02 3.06 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 95 N 9.44 5.56 0.00 3.05 2.62 0.00 0.00 6.96 6.65 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 96 T 8.73 5.22 4.48 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 1.34 0.00 0.00 97 Y 8.66 4.90 0.00 2.71 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 98 I 8.58 4.62 1.67 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.49 0.55 0.00 0.00 99 S 8.96 4.03 0.00 4.06 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 0.00 100 K 8.78 3.89 0.00 1.67 1.63 0.00 1.71 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.31 7.81 101 K 7.94 3.75 0.00 1.74 1.61 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.98 1.30 7.81 102 H 8.05 4.76 0.00 3.19 2.54 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.02 4.05 1.38 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 0.00 104 E 7.83 3.76 0.00 1.73 1.60 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 2.06 2.10 0.00 105 K 7.59 3.95 0.00 0.79 1.02 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.96 0.80 7.81 106 N 7.48 3.95 0.00 3.01 3.07 0.00 0.00 6.86 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 0.00 107 W 7.58 5.11 0.00 3.28 3.02 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 0.00 0.00 0.00 108 F 9.10 5.45 0.00 2.86 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 0.00 109 V 8.99 3.97 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 0.60 0.00 0.00 0.48 0.00 0.00 110 G 8.42 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.34 5.36 0.00 1.48 1.44 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.96 4.23 0.00 1.91 1.67 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.52 7.81 113 K 8.51 4.10 0.00 1.70 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.58 7.81 114 N 8.03 4.54 0.00 2.79 2.91 0.00 0.00 6.29 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.58 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 0.00 116 S 8.39 4.62 0.00 3.97 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 0.00 117 C 8.34 4.74 0.00 2.88 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 0.00 118 K 8.67 4.51 0.00 1.63 1.68 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.36 7.81 119 R 8.41 4.12 0.00 1.63 1.60 0.00 3.05 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 120 G 8.77 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 0.00 0.00 0.00 121 P 0.00 4.51 0.00 1.96 2.22 0.00 2.97 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 1.73 1.74 0.00 122 R 8.21 4.47 0.00 1.77 1.92 0.00 3.29 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 123 T 7.06 5.12 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 0.00 124 H 7.81 4.73 0.00 3.46 3.55 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.78 3.90 0.00 3.15 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 0.00 126 G 9.01 4.12 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 0.00 127 Q 7.50 4.22 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 128 K 8.24 3.86 0.00 1.73 1.63 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.25 7.81 129 A 8.02 3.97 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 0.00 130 I 7.15 4.44 1.68 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.58 0.00 0.00 131 L 7.29 4.35 0.00 0.99 0.67 0.36 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.54 5.15 0.00 3.37 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 0.00 133 L 9.28 5.24 0.00 1.95 1.77 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.18 0.00 2.19 2.26 0.00 3.84 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 135 L 9.14 4.95 0.00 1.68 1.65 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.48 0.00 2.07 2.09 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 137 V 8.07 3.82 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.82 0.00 0.00