NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.7773 8.2816 114.6946 58.3755 63.7232 172.4299 *14 H 4.8228 8.2625 121.0174 56.4118 30.8561 171.2410 15 Y 5.0911 9.3337 124.5972 57.0520 40.0043 175.1323 16 I 5.1629 9.2857 123.6689 60.0807 41.5388 174.2254 17 T 5.3209 8.8646 122.2233 61.8340 71.6937 172.8021 18 A 4.3674 8.8118 127.1193 50.0800 22.9093 174.5372 19 C 4.3058 7.3806 120.0855 57.2787 34.0841 172.6773 20 L 4.8585 8.8551 126.7010 53.0706 44.0104 175.2741 21 K 4.5859 8.8347 125.0703 55.0147 33.9634 175.2746 22 I 4.5842 8.3006 129.4838 60.9784 37.2933 176.0078 23 I 4.2268 8.5344 120.1035 60.6050 38.4587 175.8939 24 S 4.4740 7.7820 115.8902 58.0813 63.0989 172.8411 25 D 4.8325 8.3613 122.2954 52.9258 39.4618 176.5900 26 K 4.2543 7.7493 119.5362 55.8604 32.8798 176.8266 27 D 4.3966 8.4455 119.5994 54.3265 42.2337 176.5482 28 L 3.8911 8.6558 128.1886 58.5744 42.0480 178.7281 29 N 4.4967 7.9336 115.1374 56.2483 38.2848 176.8354 30 E 4.2064 8.3485 119.4530 59.4204 29.7294 180.5885 31 I 3.7836 7.8620 117.9850 61.7614 37.1688 178.1975 *33 K 4.3366 8.0687 121.5945 56.6514 34.2285 178.2652 34 E 4.0020 7.9926 117.3551 59.4468 29.2613 179.4110 35 F 3.9600 8.4038 117.3796 60.1365 38.8915 178.0053 36 K 4.1806 8.0356 118.0522 59.2143 31.9518 179.3945 37 K 3.9627 8.1844 118.9565 59.2193 31.8866 179.1338 38 L 3.7998 7.9441 120.6444 58.0557 42.1215 178.5488 39 E 4.0014 8.6529 119.6896 59.3359 29.3535 178.4211 40 E 4.0194 8.1173 118.2482 59.4296 30.1380 178.3864 41 E 4.0106 8.1059 118.8812 59.3578 29.5154 179.3091 42 T 4.1455 7.8835 111.3742 63.8508 68.6413 176.2828 43 N 4.4177 7.7248 117.6988 55.1165 38.6265 176.4474 44 K 4.2187 7.4599 118.0804 56.3341 32.6204 177.0526 45 E 4.1239 7.5275 120.3515 56.0123 30.1584 177.3410 46 E 3.9239 9.1282 124.4313 59.5390 29.7649 178.1871 47 G 3.8741 8.1525 104.8672 46.3976 0.0000 171.8035 48 C 4.3361 7.8215 121.3353 58.6564 31.5102 173.3706 49 I 4.1058 8.3202 128.3487 64.0565 37.3444 176.5870 50 T 4.6425 7.1675 110.0156 60.5223 72.1701 172.5177 51 F 4.8871 8.3823 125.1221 57.5280 42.4638 172.7680 52 H 5.4521 9.1151 125.2182 53.8576 33.4565 171.6255 53 A 4.8657 8.8087 127.0063 50.3139 21.4741 174.8612 54 Y 4.7884 7.4903 117.6261 55.0564 40.8163 172.4698 55 P 4.5128 0.0000 0.0000 62.4798 32.8851 176.4319 56 L 4.5000 7.8743 122.0280 54.0952 43.8806 176.2602 57 E 4.0329 8.8097 118.2924 56.8061 30.2945 176.5540 58 P 4.1909 0.0000 0.0000 66.1366 31.2532 179.0418 59 S 4.1888 8.0955 110.5327 61.5432 62.7173 175.9364 60 E 4.0034 8.2974 121.8347 56.8434 30.4746 176.9765 61 R 3.7975 8.0552 117.0117 56.9296 28.2439 175.1358 62 K 5.0153 7.2027 115.2427 55.2375 37.7175 177.5587 63 I 4.4819 7.9297 122.0179 59.6514 41.7216 173.6502 *65 L 4.1295 8.3149 120.6559 55.0561 43.4382 176.0194 66 W 5.3519 8.6474 123.5282 55.0905 31.6569 174.7581 67 E 5.0788 9.5584 124.2172 54.5703 33.8485 174.8280 68 I 4.6687 8.2254 123.2400 59.3063 40.0935 174.5543 69 W 5.3086 9.2984 126.1287 54.6012 32.6546 176.4540 70 E 4.3348 9.4596 122.0216 59.4968 29.5441 176.5949 71 N 4.3964 7.3548 111.3459 52.4053 40.4905 174.1988 72 E 3.8454 8.2547 116.9348 59.4478 29.8962 179.6252 73 E 3.9060 8.2891 117.9461 59.1423 29.3881 178.8633 74 A 4.0717 8.2281 121.0308 55.0709 18.1466 179.8994 75 V 2.1006 6.7669 115.9016 65.6155 31.7277 178.1709 76 K 4.2448 7.7691 117.7214 59.5532 31.9296 179.1973 77 I 3.6666 8.1569 120.4960 64.5562 36.8594 177.6701 78 H 4.2009 8.0203 120.4962 58.6060 29.3594 176.5027 79 F 4.3437 7.4304 115.8992 58.4927 38.9548 176.5747 80 T 4.3175 7.6547 109.2787 61.3985 70.0705 175.3972 81 K 3.9872 7.0920 122.5048 56.0069 32.8029 177.9619 82 K 3.9435 8.5285 123.4411 59.7510 31.8010 178.9809 83 H 4.1578 7.8926 115.0255 58.5800 28.3961 177.7943 84 T 3.6946 7.4485 118.1200 66.6339 68.4701 176.8044 85 I 3.7430 7.6454 121.5964 64.3569 36.7944 178.1690 86 D 4.3242 8.0942 119.4654 57.4748 40.9489 178.7789 87 V 3.6424 7.2696 118.4096 65.7524 31.5040 177.7612 88 Q 3.9677 7.9438 119.4163 59.2628 28.7297 178.5348 89 K 4.1058 8.1848 117.9759 58.8444 32.1059 178.5935 90 Q 4.1133 7.8702 117.1450 55.7954 29.6343 175.3019 91 E 3.8389 7.8815 118.9939 57.3344 27.8097 175.4004 92 L 4.3116 7.7116 118.6460 56.8323 42.7738 176.8077 93 T 5.3383 7.5628 106.6041 60.6043 72.4109 172.6368 94 E 4.7893 8.6892 117.3685 54.9081 33.2905 174.6131 95 V 3.9368 8.3144 122.0924 63.2150 31.7460 175.1696 96 E 4.4454 8.9575 130.0455 58.2420 30.3344 176.2002 97 W 5.3799 7.4145 114.3566 55.7289 31.8508 173.6940 98 L 5.0927 8.2917 120.5643 54.7120 44.2770 174.3968 *100 K 4.4208 8.2218 116.9062 56.8873 33.2745 175.2409 101 S 4.6437 8.4596 113.4846 57.6130 66.4322 173.1384 102 N 5.2891 8.9096 124.4081 51.9414 39.8713 174.4104 103 V 4.5386 8.6393 123.5688 60.8382 34.8221 175.1323 104 N 4.6486 8.8020 123.8497 52.9970 37.3696 174.2618 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 8.28 4.78 0.00 3.89 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 *14 H 8.26 4.82 0.00 3.40 3.48 0.00 5.71 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 15 Y 9.33 5.09 0.00 3.06 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 16 I 9.29 5.16 2.21 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 1.10 0.00 0.00 17 T 8.86 5.32 4.53 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 1.55 0.00 0.00 18 A 8.81 4.37 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 19 C 7.38 4.31 0.00 1.66 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 20 L 8.86 4.86 0.00 1.39 1.46 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.83 4.59 0.00 1.77 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 22 I 8.30 4.58 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 1.00 0.00 0.00 23 I 8.53 4.23 1.88 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 1.34 0.63 0.92 0.00 0.00 24 S 7.78 4.47 0.00 3.88 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 0.00 25 D 8.36 4.83 0.00 2.81 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 26 K 7.75 4.25 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.39 7.81 27 D 8.45 4.40 0.00 2.79 2.55 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 28 L 8.66 3.89 0.00 1.63 1.69 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.93 4.50 0.00 2.95 2.87 0.00 0.00 7.06 8.89 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 30 E 8.35 4.21 0.00 2.20 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 0.00 2.41 2.59 0.00 31 I 7.86 3.78 2.04 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 1.59 1.21 1.02 0.00 0.00 *33 K 8.07 4.34 0.00 2.08 1.92 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.67 7.81 34 E 7.99 4.00 0.00 2.29 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 2.35 2.65 0.00 35 F 8.40 3.96 0.00 3.19 3.17 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 36 K 8.04 4.18 0.00 1.96 1.89 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.51 7.81 37 K 8.18 3.96 0.00 1.92 1.82 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.71 7.81 38 L 7.94 3.80 0.00 1.63 1.71 0.82 0.51 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 39 E 8.65 4.00 0.00 2.36 2.28 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 2.42 2.83 0.00 40 E 8.12 4.02 0.00 2.11 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 0.00 2.29 2.34 0.00 41 E 8.11 4.01 0.00 1.72 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 0.00 2.35 2.35 0.00 42 T 7.88 4.15 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 0.90 0.00 0.00 43 N 7.72 4.42 0.00 2.77 2.89 0.00 0.00 6.99 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 44 K 7.46 4.22 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.61 7.81 45 E 7.53 4.12 0.00 2.23 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 2.42 2.44 0.00 46 E 9.13 3.92 0.00 1.93 2.03 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 2.31 2.41 0.00 47 G 8.15 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 48 C 7.82 4.34 0.00 2.98 2.94 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 49 I 8.32 4.11 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.80 0.00 0.00 50 T 7.17 4.64 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 1.13 0.00 0.00 51 F 8.38 4.89 0.00 2.67 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 52 H 9.12 5.45 0.00 3.30 3.15 0.00 5.81 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 53 A 8.81 4.87 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 54 Y 7.49 4.79 0.00 2.69 2.52 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 55 P 0.00 4.51 0.00 2.04 1.97 0.00 3.84 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 1.98 1.97 0.00 56 L 7.87 4.50 0.00 1.52 1.69 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.81 4.03 0.00 1.90 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 0.00 2.43 2.32 0.00 58 P 0.00 4.19 0.00 2.14 2.12 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 59 S 8.10 4.19 0.00 4.02 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 60 E 8.30 4.00 0.00 2.09 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 0.00 2.35 2.51 0.00 61 R 8.06 3.80 0.00 1.99 1.92 0.00 3.21 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 62 K 7.20 5.02 0.00 1.56 1.50 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.37 1.65 7.81 63 I 7.93 4.48 1.36 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 0.82 0.62 0.24 0.00 0.00 *65 L 8.31 4.13 0.00 1.50 1.35 1.11 0.73 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 66 W 8.65 5.35 0.00 3.25 2.91 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 67 E 9.56 5.08 0.00 2.11 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 68 I 8.23 4.67 1.51 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.59 0.36 0.00 0.00 69 W 9.30 5.31 0.00 3.26 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 70 E 9.46 4.33 0.00 1.95 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 2.59 2.47 0.00 71 N 7.35 4.40 0.00 2.76 2.82 0.00 0.00 7.02 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 72 E 8.25 3.85 0.00 1.98 1.94 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 2.06 2.12 0.00 73 E 8.29 3.91 0.00 2.16 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 2.39 2.41 0.00 74 A 8.23 4.07 1.55 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 75 V 6.77 2.10 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 0.84 0.00 0.00 0.11 0.00 0.00 76 K 7.77 4.24 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.49 7.81 77 I 8.16 3.67 1.97 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 1.39 0.67 0.90 0.00 0.00 78 H 8.02 4.20 0.00 2.99 2.86 0.00 5.82 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 79 F 7.43 4.34 0.00 3.09 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 80 T 7.65 4.32 4.22 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 1.24 0.00 0.00 81 K 7.09 3.99 0.00 1.47 1.31 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.65 1.62 7.81 82 K 8.53 3.94 0.00 1.77 1.75 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.46 7.81 83 H 7.89 4.16 0.00 3.29 3.50 0.00 5.50 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 84 T 7.45 3.69 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 0.89 0.00 0.00 85 I 7.65 3.74 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 1.53 0.82 0.90 0.00 0.00 86 D 8.09 4.32 0.00 2.78 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 87 V 7.27 3.64 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 0.73 0.00 0.00 88 Q 7.94 3.97 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 89 K 8.18 4.11 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 Q 7.87 4.11 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 91 E 7.88 3.84 0.00 2.10 1.99 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 2.27 2.43 0.00 92 L 7.71 4.31 0.00 1.88 1.83 1.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.56 5.34 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 1.27 0.00 0.00 94 E 8.69 4.79 0.00 2.06 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 0.00 2.20 2.26 0.00 95 V 8.31 3.94 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 0.75 0.00 0.00 0.95 0.00 0.00 96 E 8.96 4.45 0.00 2.00 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 0.00 2.48 2.33 0.00 97 W 7.41 5.38 0.00 3.43 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 98 L 8.29 5.09 0.00 1.62 1.68 1.01 0.83 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 *100 K 8.22 4.42 0.00 1.90 1.85 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.56 7.81 101 S 8.46 4.64 0.00 3.90 3.67 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 0.00 102 N 8.91 5.29 0.00 2.71 2.83 0.00 0.00 6.72 7.68 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 0.00 103 V 8.64 4.54 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 1.02 0.00 0.00 0.69 0.00 0.00 104 N 8.80 4.65 0.00 2.87 2.78 0.00 0.00 6.06 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 * Residues marked with a * may have inaccurate shift predictions.