NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.5348 8.1933 115.5580 58.0444 65.0894 172.6932 13 S 4.6291 8.5326 116.5010 57.0389 63.8436 173.3466 14 C 4.3044 8.5419 122.5563 57.7455 44.6093 172.8268 15 K 4.5126 8.8088 123.9037 55.9382 36.2337 174.4603 16 R 4.6798 8.2809 120.6797 56.1859 31.0321 174.9860 17 H 5.0555 8.9527 121.9801 52.8289 32.8326 171.3222 18 P 4.7445 0.0000 0.0000 63.2224 32.3246 175.9455 19 L 4.2507 7.9142 123.4825 54.7432 44.9890 172.6821 20 Y 4.3487 8.4638 128.6047 55.9829 40.3281 174.8162 21 V 3.6386 7.3488 127.9788 61.5240 32.9337 173.8829 22 D 4.6596 8.0178 128.7822 52.8224 42.2555 177.2745 23 F 4.5924 8.6921 126.1371 60.4867 38.9978 177.9894 24 S 4.5790 8.1399 115.1286 61.0755 62.7398 176.0104 25 D 4.3344 8.0692 121.5870 56.9231 40.7135 178.4862 26 V 3.8213 7.3346 109.0424 60.8218 31.7725 176.6340 27 G 3.8737 7.7334 106.6558 46.3497 0.0000 174.2865 28 W 5.1541 8.6433 117.8431 56.1809 29.4712 177.6471 29 N 4.5734 8.1247 117.0435 54.3786 37.2015 176.4475 30 D 4.5531 8.2047 118.4168 54.6112 40.3366 176.9061 31 W 4.6886 8.0840 115.4368 56.2720 30.2316 174.8543 32 I 4.1175 6.9162 120.2712 59.9448 36.3997 175.8116 33 V 4.0447 8.4727 120.1100 63.4263 32.3692 176.6771 34 A 4.7086 7.5182 119.6158 50.1714 22.3613 174.4700 35 P 4.8561 0.0000 0.0000 61.5069 32.7703 174.7223 36 P 4.4494 0.0000 0.0000 64.3439 31.3921 176.5539 37 G 3.4708 7.4507 105.0225 46.1237 0.0000 171.0026 38 Y 4.5086 6.0262 115.1215 56.0874 40.6174 173.6925 39 H 4.4693 8.7433 118.4887 55.1336 28.8402 175.0330 40 A 4.3275 8.3241 128.9176 51.9982 19.5949 177.8645 41 F 4.4913 7.9959 114.6754 57.3200 38.3517 172.9045 42 Y 5.0669 8.3567 117.9890 56.6099 41.6182 172.7942 43 C 5.4448 8.7477 117.0160 55.8276 41.4473 173.0395 44 H 4.8136 8.7709 120.6969 55.5390 33.4879 172.7089 45 G 4.4984 8.4775 110.0135 42.6259 0.0000 172.5937 46 E 4.0880 8.7997 121.7553 56.2653 30.0185 175.2399 47 C 5.0276 8.3895 122.6518 54.6563 39.8681 171.9854 48 P 4.6486 0.0000 0.0000 61.4939 32.6078 175.6531 49 F 4.5476 8.4518 120.9023 56.0634 40.3639 173.5359 50 P 3.5032 0.0000 0.0000 61.1365 32.4091 175.4307 51 L 4.0529 7.9525 119.1809 53.9062 41.7663 177.2699 52 A 4.2124 8.1529 126.8534 51.1018 19.7946 177.2991 53 D 4.3247 8.8353 119.1002 57.8504 41.0084 178.4985 54 H 4.3628 8.0886 111.3110 57.4098 28.7133 175.6194 55 L 4.1817 8.0532 120.2706 54.6956 41.9024 176.3544 56 N 4.1326 7.9343 115.3490 54.1416 36.7558 174.7810 57 S 4.7813 8.1352 111.1462 57.7571 64.2132 175.1667 58 T 4.3411 8.0999 113.0820 61.0188 71.0811 175.3210 59 N 4.2717 8.7464 119.3238 57.1614 38.5586 177.0308 60 H 4.0864 8.2485 118.5299 59.2142 29.9719 177.0247 61 A 4.1567 8.1592 122.6604 55.0404 18.1783 179.7625 62 I 3.6752 7.7716 118.4253 64.5339 37.1615 178.7856 63 V 3.5781 8.0720 119.4359 66.0999 31.2895 177.7896 64 Q 3.9250 8.5355 119.5962 59.4192 28.9478 178.3527 65 T 3.8934 8.1773 116.9240 66.6999 68.3039 176.5892 66 L 3.8730 8.0414 120.8479 57.6650 41.6061 179.7453 67 V 3.5557 8.1383 118.6566 65.9836 31.2496 177.5451 68 N 4.5920 8.2092 116.2167 56.7573 38.8311 176.6628 69 S 4.1820 7.7866 114.5137 61.0436 62.9733 176.2253 70 V 4.0954 7.1461 120.8505 63.6037 31.9945 175.1532 71 N 4.7668 8.6888 118.6776 51.5313 39.9428 174.4249 72 S 4.5270 8.5659 119.7327 59.4188 63.4670 175.6618 73 K 4.0775 8.1338 120.8567 58.5657 31.9944 176.9071 74 I 4.2294 7.4079 120.8438 58.9317 37.8259 174.1303 75 P 4.4730 0.0000 0.0000 62.2079 31.9020 176.1040 76 K 4.2017 8.2433 118.3886 55.7978 32.7076 176.7628 77 A 4.3369 8.2871 122.2021 52.3839 19.3512 176.2581 78 C 4.8192 8.8382 119.2924 57.5787 34.7972 172.1659 79 C 5.0198 8.7396 125.4808 56.4020 42.2005 172.7573 80 V 4.7397 9.0250 119.0284 58.8713 36.6057 172.8555 81 P 4.9279 0.0000 0.0000 63.3560 31.2173 176.7229 82 T 4.5952 8.9121 113.5916 61.5148 70.4315 173.8728 83 E 4.7730 7.9424 123.2980 54.8257 33.1937 173.6106 84 L 5.5510 8.6494 125.2933 53.0418 45.9706 175.3315 85 S 4.9284 9.1472 115.0048 56.6952 66.8994 172.5946 86 A 5.2733 8.5608 121.6562 50.5771 21.1309 176.2199 87 I 4.7164 8.4328 111.8262 59.2540 41.2895 174.7064 88 S 5.2493 8.6355 119.1367 58.1625 64.4600 173.4962 89 M 5.0271 9.1573 121.5861 53.7114 36.9134 173.6304 90 L 5.2356 9.0065 124.4279 53.7280 44.1881 174.8914 91 Y 5.3453 8.4925 123.6087 55.0240 42.1171 174.0250 92 L 5.0168 9.3419 123.6632 54.2895 42.7198 176.1624 93 D 5.1227 9.0869 127.2193 51.4473 41.8697 177.3381 94 E 4.1376 8.6755 113.9498 56.9728 29.1006 177.7906 95 N 4.8310 10.4547 111.5151 54.1125 42.8992 175.2023 96 E 4.0704 8.5269 117.2649 55.6639 27.1329 174.1344 97 K 4.2079 8.0544 121.7344 55.9446 33.5935 175.7677 98 V 4.4235 8.2882 127.5562 62.2158 32.2956 175.3411 99 V 4.4125 8.1880 120.8015 59.3001 35.7397 174.3891 100 L 4.9106 8.3275 125.6701 54.0359 43.4007 175.6579 101 K 4.5923 8.9216 126.4413 54.7955 36.0486 174.1955 102 N 4.9379 8.8188 126.2634 53.1559 40.0055 173.4949 103 Y 4.4858 9.2397 125.4344 56.4466 39.4598 175.8028 104 Q 4.4249 8.7694 123.5084 55.6605 30.0911 175.3089 105 D 4.4705 8.4668 117.2921 56.2569 38.2206 174.5916 106 M 4.6109 8.3435 118.2872 55.6675 34.1271 177.6739 107 V 4.8128 7.6941 118.5389 60.7674 34.9227 174.6622 108 V 4.0755 8.9762 128.8338 63.2486 31.1792 175.3233 109 E 4.3615 9.1541 127.9820 57.4059 31.0055 176.3911 110 G 4.2063 7.6517 104.2566 45.3843 0.0000 172.9055 111 C 5.6206 8.5912 117.9356 55.3990 41.8505 173.3396 112 G 4.0411 8.9980 107.5207 46.1765 0.0000 170.6268 113 C 5.4282 8.6681 117.3174 55.4424 42.8951 174.9865 114 R 4.3085 8.9345 122.5135 56.3478 30.8310 175.2937 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 12 S 8.19 4.53 0.00 3.94 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.53 4.63 0.00 3.87 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 14 C 8.54 4.30 0.00 3.04 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 15 K 8.81 4.51 0.00 1.76 1.83 0.00 1.28 0.00 0.00 1.52 0.00 0.00 2.54 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 1.04 7.81 16 R 8.28 4.68 0.00 1.71 1.69 0.00 2.66 0.00 0.00 2.89 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 17 H 8.95 5.06 0.00 1.71 2.71 0.00 5.87 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.74 0.00 2.09 2.10 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 19 L 7.91 4.25 0.00 2.03 1.62 0.82 0.78 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 20 Y 8.46 4.35 0.00 2.73 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 21 V 7.35 3.64 1.07 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 0.68 0.00 0.00 0.52 0.00 0.00 22 D 8.02 4.66 0.00 2.88 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 0.00 0.00 0.00 0.00 23 F 8.69 4.59 0.00 3.22 3.01 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 24 S 8.14 4.58 0.00 4.07 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 25 D 8.07 4.33 0.00 2.80 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 26 V 7.33 3.82 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 0.41 0.00 0.00 0.30 0.00 0.00 27 G 7.73 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 28 W 8.64 5.15 0.00 3.28 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.12 4.57 0.00 2.93 3.16 0.00 0.00 5.95 8.07 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 30 D 8.20 4.55 0.00 2.93 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 31 W 8.08 4.69 0.00 3.55 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 6.92 4.12 0.96 0.00 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.36 0.48 0.00 0.00 33 V 8.47 4.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.93 0.00 0.00 34 A 7.52 4.71 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 35 P 0.00 4.86 0.00 2.33 2.17 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 36 P 0.00 4.45 0.00 2.27 2.21 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 37 G 7.45 3.47 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 0.00 0.00 0.00 0.00 38 Y 6.03 4.51 0.00 3.10 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 39 H 8.74 4.47 0.00 3.11 2.61 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.32 4.33 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.00 4.49 0.00 3.25 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 42 Y 8.36 5.07 0.00 3.13 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 43 C 8.75 5.44 0.00 2.95 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 44 H 8.77 4.81 0.00 3.49 3.11 0.00 5.77 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 45 G 8.48 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.80 4.09 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 47 C 8.39 5.03 0.00 3.10 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 48 P 0.00 4.65 0.00 2.19 2.08 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 49 F 8.45 4.55 0.00 3.06 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 50 P 0.00 3.50 0.00 1.75 0.85 0.00 3.57 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 51 L 7.95 4.05 0.00 1.61 1.62 0.94 0.87 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 52 A 8.15 4.21 1.14 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 53 D 8.84 4.32 0.00 2.66 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 54 H 8.09 4.36 0.00 3.26 3.38 0.00 5.57 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 55 L 8.05 4.18 0.00 1.76 1.69 0.87 0.77 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 56 N 7.93 4.13 0.00 2.83 2.86 0.00 0.00 6.98 6.88 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 57 S 8.14 4.78 0.00 3.85 3.79 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 0.00 0.00 0.00 58 T 8.10 4.34 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 1.23 0.00 0.00 59 N 8.75 4.27 0.00 2.77 2.95 0.00 0.00 6.46 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 60 H 8.25 4.09 0.00 3.21 3.31 0.00 5.67 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 61 A 8.16 4.16 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 62 I 7.77 3.68 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 0.97 0.00 0.00 63 V 8.07 3.58 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 1.04 0.00 0.00 0.93 0.00 0.00 64 Q 8.54 3.93 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 65 T 8.18 3.89 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 1.40 0.00 0.00 66 L 8.04 3.87 0.00 1.82 1.63 0.99 0.24 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 67 V 8.14 3.56 2.18 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 0.98 0.00 0.00 0.98 0.00 0.00 68 N 8.21 4.59 0.00 2.82 3.00 0.00 0.00 7.29 8.27 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 69 S 7.79 4.18 0.00 3.97 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 70 V 7.15 4.10 2.16 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 0.79 0.00 0.00 0.87 0.00 0.00 71 N 8.69 4.77 0.00 2.71 2.62 0.00 0.00 6.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.57 4.53 0.00 4.02 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 73 K 8.13 4.08 0.00 1.91 1.92 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 74 I 7.41 4.23 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.91 0.00 0.00 75 P 0.00 4.47 0.00 2.19 2.07 0.00 3.78 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 2.00 2.00 0.00 76 K 8.24 4.20 0.00 1.79 1.81 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 77 A 8.29 4.34 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 78 C 8.84 4.82 0.00 3.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 8.74 5.02 0.00 3.18 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 80 V 9.02 4.74 2.13 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 0.72 0.00 0.00 0.96 0.00 0.00 81 P 0.00 4.93 0.00 1.99 2.05 0.00 3.69 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 2.11 2.18 0.00 82 T 8.91 4.60 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 1.26 0.00 0.00 83 E 7.94 4.77 0.00 2.01 1.76 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 2.28 2.34 0.00 84 L 8.65 5.55 0.00 1.56 1.57 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.15 4.93 0.00 3.88 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 86 A 8.56 5.27 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 87 I 8.43 4.72 1.80 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.89 0.89 0.00 0.00 88 S 8.64 5.25 0.00 3.81 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 89 M 9.16 5.03 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 90 L 9.01 5.24 0.00 1.72 1.51 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.49 5.35 0.00 3.29 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 92 L 9.34 5.02 0.00 1.98 1.80 1.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 93 D 9.09 5.12 0.00 2.98 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 94 E 8.68 4.14 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 95 N 10.45 4.83 0.00 2.86 2.82 0.00 0.00 7.08 7.54 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 96 E 8.53 4.07 0.00 2.10 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 0.00 2.19 2.28 0.00 97 K 8.05 4.21 0.00 1.86 1.88 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 98 V 8.29 4.42 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 0.79 0.00 0.00 0.92 0.00 0.00 99 V 8.19 4.41 1.89 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 0.46 0.00 0.00 0.38 0.00 0.00 100 L 8.33 4.91 0.00 1.60 1.52 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.92 4.59 0.00 2.01 1.87 0.00 1.78 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.59 1.17 7.81 102 N 8.82 4.94 0.00 2.76 2.69 0.00 0.00 7.06 7.54 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 0.00 103 Y 9.24 4.49 0.00 3.02 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 0.00 104 Q 8.77 4.42 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 105 D 8.47 4.47 0.00 2.89 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 0.00 106 M 8.34 4.61 0.00 1.84 2.12 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.99 0.00 107 V 7.69 4.81 2.24 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 1.41 0.00 0.00 1.27 0.00 0.00 108 V 8.98 4.08 2.22 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 0.84 0.00 0.00 1.08 0.00 0.00 109 E 9.15 4.36 0.00 1.95 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 2.44 2.40 0.00 110 G 7.65 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 0.00 0.00 0.00 0.00 111 C 8.59 5.62 0.00 2.80 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 9.00 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 0.00 0.00 0.00 113 C 8.67 5.43 0.00 2.91 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 0.00 114 R 8.93 4.31 0.00 1.68 1.76 0.00 3.33 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00