NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.4592 8.3049 120.3195 55.3352 33.6288 174.2534 7 I 4.5363 7.5494 119.6601 58.3860 41.2864 172.8607 8 P 4.5033 0.0000 0.0000 63.6586 32.6256 177.0840 9 G 3.9199 8.7815 108.6411 45.9104 0.0000 175.2380 10 G 3.9083 7.7659 110.6842 44.9724 0.0000 172.6533 11 L 4.9339 7.9957 119.9223 52.4928 44.8711 177.0541 12 S 4.2961 8.4464 118.3284 57.8553 63.9971 173.1722 13 E 4.1579 8.4603 121.2926 55.8866 30.5505 175.5748 14 A 4.3776 8.2945 124.4919 51.4493 19.2082 177.0584 15 K 4.6083 8.1924 122.1578 53.6677 35.4519 174.5269 16 P 4.8014 0.0000 0.0000 62.5830 32.2121 175.8075 17 A 4.5380 8.6127 122.7015 52.1662 19.4812 176.7906 18 T 4.6731 8.0239 108.6657 58.5216 71.9998 173.3594 19 P 4.2737 0.0000 0.0000 65.1096 31.0271 178.3150 20 E 3.9794 7.9149 118.2364 58.5213 29.5885 178.3690 21 I 3.3167 7.2975 119.5051 64.3894 37.2299 177.8502 22 Q 3.8855 8.0220 120.1900 59.0690 28.7385 178.2533 23 E 3.8158 7.7324 120.3582 59.2858 29.6023 178.5597 24 I 3.4973 7.5720 119.9363 64.4688 37.1237 178.4502 25 V 3.5026 7.7160 118.6169 66.2124 31.1478 177.6942 26 D 4.3437 7.8984 117.2114 57.2479 40.7811 178.3220 27 K 4.1487 8.5022 118.3468 57.6818 32.5393 177.9011 28 V 4.2570 7.2781 117.6391 62.0630 32.8263 177.3158 29 K 3.7426 8.3251 121.8521 59.2550 32.0882 176.4386 30 P 4.4233 0.0000 0.0000 65.0923 31.2105 177.9313 31 Q 4.8796 8.0641 120.9557 58.0899 29.1146 177.4059 32 L 3.9585 7.6268 121.2045 58.2506 42.2376 178.4820 33 E 4.0385 8.0924 118.3496 59.2608 29.4301 178.5884 34 E 4.2843 8.2148 115.5202 57.5516 29.6255 177.8515 35 K 4.5632 8.0992 118.3830 56.4774 33.8002 177.2842 36 T 4.3221 7.7159 109.4637 62.5836 71.0888 175.1868 37 N 5.3977 7.4046 119.1070 49.6559 36.4946 174.1732 38 E 3.7893 7.9890 120.9824 57.1212 30.5359 177.6246 39 T 4.6332 7.5862 117.4825 61.3314 69.7127 173.8915 40 Y 4.4307 8.2709 124.4763 56.9698 40.4124 177.2670 *43 G 4.3643 7.8022 109.3554 45.3636 0.0000 175.7942 44 K 4.0284 8.7903 126.8368 55.9709 31.9742 176.3716 45 L 4.4927 8.2926 125.1228 53.3036 42.1194 175.4177 46 E 4.5475 8.8100 126.2447 54.3534 30.6199 175.1770 47 A 4.2575 9.2393 130.4743 52.9217 18.2544 176.8386 48 V 4.2838 8.6024 122.4691 64.2213 33.9960 174.9129 49 Q 5.0044 7.6030 119.2056 55.9882 32.8963 171.7445 50 Y 5.3316 8.4934 118.8843 57.2081 41.9629 172.5907 51 K 4.5587 8.9410 117.0598 55.6023 37.2878 175.5509 52 T 5.0083 8.2542 117.9057 62.2049 73.0502 173.2492 53 Q 4.7406 8.0591 122.5453 55.2668 32.7554 173.3451 54 V 4.1877 8.3952 127.3389 62.9486 32.4287 175.6397 55 V 4.3462 8.2665 119.9040 60.5691 35.2927 175.4169 56 A 4.4988 8.7483 121.4406 51.0240 18.0556 178.7328 57 G 4.1547 6.9327 111.9091 47.0072 0.0000 172.6295 58 T 4.9376 7.9323 120.4915 62.2238 72.3918 173.0499 59 N 5.3590 9.0395 124.4146 52.4584 40.9113 173.8738 60 Y 5.0795 9.4223 119.8862 56.5526 42.1630 174.4985 61 Y 4.9309 9.3512 120.4145 56.5217 41.0348 174.1452 62 I 5.0587 8.7427 125.6680 59.3248 40.3650 175.3450 63 K 4.9814 9.2211 128.9949 55.5231 32.6699 174.8008 64 V 4.6118 9.2771 128.6275 61.3718 33.7611 174.3257 65 R 4.1490 8.9050 128.6125 54.9509 31.1349 174.0190 66 A 4.6691 8.3525 131.6925 55.0795 21.8646 178.3487 67 G 3.0192 8.5038 101.2995 45.7954 0.0000 174.2676 68 D 4.5848 7.9647 121.9625 54.3486 42.9690 176.9977 *92 N 4.9592 7.7328 117.4826 52.2287 40.7268 174.3705 93 K 4.5536 7.8306 120.1612 55.2793 34.0726 174.8352 94 Y 4.9246 8.4304 124.3161 57.2095 40.9928 174.3949 95 M 4.9681 9.0889 119.2825 54.9240 36.4841 172.9346 96 H 5.5981 9.2026 123.0382 54.5128 31.0642 173.8292 97 L 5.2700 8.9474 123.7016 53.0350 44.9642 175.7347 98 K 4.7951 8.7989 121.6900 54.9352 34.9760 175.0596 99 V 4.9531 8.7707 127.5050 61.0322 34.9922 173.7309 100 F 5.3244 9.2306 128.6010 56.2400 42.2403 173.7781 101 K 4.2957 8.5071 127.4560 54.1927 34.0723 175.7098 102 S 4.5027 8.2024 123.4139 58.5984 63.9235 174.2511 102A L 4.3073 8.5269 121.0781 53.6629 42.0887 176.8396 103 P 4.3566 0.0000 0.0000 64.4160 31.4037 177.1264 104 G 4.0374 7.7760 105.5876 45.7654 0.0000 174.9692 105 Q 4.0294 8.1437 118.9671 57.0858 29.1822 175.5771 105A N 4.2998 8.8681 113.2543 53.9930 36.0939 172.2946 106 E 4.7195 7.6599 115.7559 54.5043 33.5099 173.5433 107 D 4.7444 8.2370 121.1971 51.8848 41.7355 175.1401 108 L 4.3585 8.2956 119.3164 55.0806 42.1925 176.8821 109 V 4.6023 8.5829 124.2331 60.8046 34.0345 174.2973 110 L 4.7212 9.7029 131.5997 55.3560 42.1699 176.3780 111 T 4.6143 8.9940 115.5055 61.0381 70.2855 173.6594 112 G 4.2428 7.9581 108.2115 46.6375 0.0000 171.8294 113 Y 5.4805 7.8158 116.4742 55.9998 40.9601 174.0518 114 Q 4.4240 9.2597 120.5108 54.3049 32.0681 175.5547 115 V 4.1376 8.6519 124.2823 61.2584 33.3602 174.6410 115A D 4.4289 8.3009 119.7784 55.3612 37.9917 174.2682 116 K 4.5912 7.5834 117.4879 54.3896 34.1840 177.3718 117 N 4.5885 8.6252 120.9055 52.9609 39.4324 174.9755 118 K 2.5340 8.1297 119.1989 59.3698 32.3327 177.6529 119 D 4.2830 8.2644 116.4554 57.6347 41.3021 175.7644 120 D 4.2396 7.3222 117.5214 52.8003 39.6865 176.1182 121 E 3.9495 8.7346 126.5990 55.9027 29.9763 176.2097 122 L 4.1438 8.6067 127.2064 54.9930 41.9135 176.4459 123 T 4.6161 8.4857 113.5661 59.1096 71.5391 174.2276 124 G 3.3768 8.2987 111.2725 45.3541 0.0000 173.7864 125 F 4.5039 8.4585 114.6989 57.6183 37.2405 173.7419 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 6 M 8.30 4.46 0.00 1.98 2.03 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 2.45 2.46 0.00 7 I 7.55 4.54 1.83 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 1.37 0.37 0.89 0.00 0.00 8 P 0.00 4.50 0.00 2.02 1.96 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 G 8.78 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 10 G 7.77 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 11 L 8.00 4.93 0.00 1.27 1.27 0.28 0.01 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 12 S 8.45 4.30 0.00 3.77 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 13 E 8.46 4.16 0.00 1.91 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 2.24 2.32 0.00 14 A 8.29 4.38 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 15 K 8.19 4.61 0.00 1.66 1.64 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.17 1.30 7.81 16 P 0.00 4.80 0.00 2.00 2.07 0.00 3.71 0.00 0.00 3.67 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 17 A 8.61 4.54 1.29 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 0.00 0.00 0.00 18 T 8.02 4.67 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 1.30 0.00 0.00 19 P 0.00 4.27 0.00 2.15 2.12 0.00 3.58 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 2.10 2.13 0.00 20 E 7.91 3.98 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 2.15 2.27 0.00 21 I 7.30 3.32 1.93 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.72 0.00 0.00 22 Q 8.02 3.89 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 23 E 7.73 3.82 0.00 2.07 2.05 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 2.24 2.44 0.00 24 I 7.57 3.50 1.77 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.11 0.61 0.00 0.00 25 V 7.72 3.50 2.14 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 1.00 0.00 0.00 0.87 0.00 0.00 26 D 7.90 4.34 0.00 2.80 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 27 K 8.50 4.15 0.00 1.81 1.77 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 28 V 7.28 4.26 2.05 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 0.90 0.00 0.00 0.97 0.00 0.00 29 K 8.33 3.74 0.00 1.88 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.41 7.81 30 P 0.00 4.42 0.00 2.30 2.29 0.00 3.62 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 2.06 2.01 0.00 31 Q 8.06 4.88 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 32 L 7.63 3.96 0.00 1.62 1.73 0.50 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.09 4.04 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 2.72 2.54 0.00 34 E 8.21 4.28 0.00 2.24 2.27 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 2.50 2.33 0.00 35 K 8.10 4.56 0.00 1.85 1.98 0.00 1.95 0.00 0.00 1.94 0.00 0.00 3.16 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.44 7.81 36 T 7.72 4.32 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 1.10 0.00 0.00 37 N 7.40 5.40 0.00 2.79 3.01 0.00 0.00 6.43 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 38 E 7.99 3.79 0.00 1.44 1.12 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 2.14 2.14 0.00 39 T 7.59 4.63 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 1.16 0.00 0.00 40 Y 8.27 4.43 0.00 2.97 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 *43 G 7.80 4.36 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 0.00 44 K 8.79 4.03 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 45 L 8.29 4.49 0.00 1.45 1.55 0.67 0.70 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 46 E 8.81 4.55 0.00 2.03 1.80 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 2.26 2.25 0.00 47 A 9.24 4.26 1.20 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 48 V 8.60 4.28 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 0.92 0.00 0.00 1.19 0.00 0.00 49 Q 7.60 5.00 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 50 Y 8.49 5.33 0.00 3.34 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 51 K 8.94 4.56 0.00 1.60 1.48 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.29 7.81 52 T 8.25 5.01 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 0.87 0.00 0.00 53 Q 8.06 4.74 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.63 0.00 54 V 8.40 4.19 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 0.82 0.00 0.00 0.89 0.00 0.00 55 V 8.27 4.35 2.15 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 0.86 0.00 0.00 1.15 0.00 0.00 56 A 8.75 4.50 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 57 G 6.93 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 0.00 0.00 0.00 0.00 58 T 7.93 4.94 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 0.77 0.00 0.00 59 N 9.04 5.36 0.00 2.89 2.78 0.00 0.00 6.33 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 60 Y 9.42 5.08 0.00 2.89 2.83 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 61 Y 9.35 4.93 0.00 2.86 2.79 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 62 I 8.74 5.06 1.94 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 1.20 0.84 1.05 0.00 0.00 63 K 9.22 4.98 0.00 1.98 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.66 7.81 64 V 9.28 4.61 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 0.85 0.00 0.00 0.93 0.00 0.00 65 R 8.90 4.15 0.00 1.65 1.82 0.00 3.23 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 66 A 8.35 4.67 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 67 G 8.50 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 0.00 0.00 0.00 68 D 7.96 4.58 0.00 2.86 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 *92 N 7.73 4.96 0.00 2.83 3.07 0.00 0.00 7.08 7.61 0.00 0.00 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 K 7.83 4.55 0.00 1.84 1.65 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 94 Y 8.43 4.92 0.00 3.40 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 95 M 9.09 4.97 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 96 H 9.20 5.60 0.00 3.30 3.57 0.00 5.66 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.95 5.27 0.00 1.62 1.63 0.89 0.38 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 98 K 8.80 4.80 0.00 1.56 1.64 0.00 1.04 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.05 0.36 7.81 99 V 8.77 4.95 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 0.88 0.00 0.00 0.91 0.00 0.00 100 F 9.23 5.32 0.00 3.25 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 0.00 101 K 8.51 4.30 0.00 1.80 1.65 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.28 7.81 102 S 8.20 4.50 0.00 3.78 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 102A L 8.53 4.31 0.00 1.80 1.59 0.95 1.31 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 0.00 103 P 0.00 4.36 0.00 2.04 2.12 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 104 G 7.78 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 0.00 105 Q 8.14 4.03 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.24 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 105A N 8.87 4.30 0.00 2.85 3.03 0.00 0.00 6.64 7.65 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 0.00 106 E 7.66 4.72 0.00 1.96 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 2.25 2.32 0.00 107 D 8.24 4.74 0.00 2.81 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 0.00 108 L 8.30 4.36 0.00 1.49 1.59 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.58 4.60 2.25 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 1.08 0.00 0.00 1.17 0.00 0.00 110 L 9.70 4.72 0.00 1.81 1.63 1.06 1.11 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 0.00 111 T 8.99 4.61 4.26 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 1.30 0.00 0.00 112 G 7.96 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 0.00 113 Y 7.82 5.48 0.00 2.92 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 0.00 114 Q 9.26 4.42 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 115 V 8.65 4.14 2.15 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 0.86 0.00 0.00 1.11 0.00 0.00 115A D 8.30 4.43 0.00 2.82 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 0.00 116 K 7.58 4.59 0.00 1.70 1.69 0.00 1.68 0.00 0.00 1.19 0.00 0.00 2.99 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.42 1.53 7.81 117 N 8.63 4.59 0.00 2.81 2.72 0.00 0.00 7.02 7.61 0.00 0.00 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 8.13 2.53 0.00 0.95 1.50 0.00 1.84 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.13 0.81 7.81 119 D 8.26 4.28 0.00 2.60 2.62 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 0.00 0.00 0.00 0.00 120 D 7.32 4.24 0.00 2.86 2.63 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 0.00 121 E 8.73 3.95 0.00 1.91 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 2.30 2.41 0.00 122 L 8.61 4.14 0.00 1.66 1.61 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.49 4.62 4.35 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 1.27 0.00 0.00 124 G 8.30 3.38 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 0.00 125 F 8.46 4.50 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.