NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4827 8.2493 122.4660 52.1961 19.6568 175.0719 3 Q 4.8811 8.2789 119.5663 54.6176 32.4334 172.3943 4 K 4.4157 8.9292 120.4532 56.9073 35.3830 175.6696 5 T 5.1310 8.5249 123.6142 63.2540 70.1698 173.8192 6 F 4.9225 9.4074 121.7403 55.7704 44.2336 174.2032 7 K 4.6946 8.5528 119.8742 55.0137 34.0213 172.8986 8 V 3.8591 8.3362 121.9543 61.8572 31.2577 176.5915 9 T 3.9584 8.6971 119.8595 63.6391 67.9011 174.9206 10 A 4.6376 7.9325 122.5860 51.8381 18.7535 176.9344 11 D 4.4821 8.7572 120.5867 56.3552 41.5724 177.2345 12 S 4.5554 8.2262 110.9606 57.5755 64.7927 174.9112 13 G 3.6781 8.1304 107.2268 44.6344 0.0000 173.2377 14 I 4.0555 7.8071 123.0238 61.0925 36.7668 174.1607 15 H 4.5059 8.5165 122.4002 56.5469 32.8573 173.4069 16 A 3.6679 8.5590 121.7334 53.7146 18.2139 178.1741 17 R 3.9421 8.6532 110.5319 59.6252 30.1997 176.6826 18 P 4.1816 0.0000 0.0000 65.7741 31.2682 178.0466 19 A 3.9472 8.0358 119.1001 55.8086 18.2494 179.8341 20 T 3.7851 7.5257 113.8940 66.6158 68.4323 177.0998 21 V 3.5322 8.0861 120.6431 65.8237 31.6933 177.7537 22 L 3.8313 8.2170 120.4014 58.2589 41.8447 178.7352 23 V 4.4214 7.7968 119.4865 65.7562 31.3202 178.1308 24 Q 4.0561 8.1007 117.3966 59.2223 28.6189 178.5005 25 T 3.8633 7.9506 116.6033 66.8337 68.5723 176.4070 26 A 4.1947 7.9761 122.0250 55.1881 18.2203 179.5534 27 S 4.2839 7.7798 112.0003 60.5975 62.9835 176.4397 28 K 3.8704 7.5618 120.3680 57.3905 31.9907 176.3953 29 Y 4.8527 6.6947 115.2999 55.7909 40.5293 175.7332 30 D 4.4211 8.8719 122.1348 57.1310 41.2632 177.2662 31 A 4.1020 7.7863 120.5187 53.0176 19.3354 177.3571 32 D 4.7648 7.9686 120.6329 52.6689 38.6696 177.4081 33 V 3.7338 7.6007 119.8418 63.9423 33.1443 175.2929 34 N 5.2758 8.6772 122.6628 51.6410 43.7950 172.6932 35 L 5.1657 9.1173 121.8156 53.4013 45.9434 174.6382 36 E 5.2711 9.1371 126.5448 54.8862 31.9968 174.1523 37 Y 4.7365 9.4754 126.0379 57.2634 42.8497 174.0458 38 N 3.8100 9.2217 126.5024 54.5033 38.0191 173.5528 39 G 3.6519 8.2800 101.3280 44.2419 0.0000 174.0725 40 K 4.0842 7.5387 114.7825 56.1476 36.4782 173.1420 41 T 5.1645 8.8030 123.5201 62.0397 70.3098 174.1654 42 V 4.5603 8.7039 120.0103 58.9627 35.5021 174.7784 43 N 4.8016 8.6486 122.3170 53.8472 39.2017 174.6447 44 L 4.0894 8.5623 126.0468 56.0188 43.1151 176.7898 45 K 5.0381 8.6986 119.8078 54.9439 31.0356 175.6595 *47 I 4.2196 7.5102 122.5857 61.5867 39.8652 178.5299 48 M 4.1139 8.0785 119.3969 58.2892 31.6693 178.5524 49 G 3.7535 8.0523 103.8880 47.1218 0.0000 175.1618 50 V 3.6750 7.6911 120.5026 65.8882 31.5154 177.4961 51 M 4.2300 7.7555 116.0169 56.8612 31.8474 177.8518 52 S 4.4472 7.7387 114.5545 59.9358 63.5549 176.2039 53 L 3.9277 7.9304 121.9400 55.4737 42.0158 176.8476 54 G 3.8452 7.7865 106.4190 46.5147 0.0000 172.5617 55 I 3.8788 6.9514 119.4438 61.5615 38.8158 176.0598 56 A 4.5324 8.3079 123.1784 50.5630 21.9359 175.8722 57 K 3.7665 8.7390 120.2154 59.5455 32.7072 173.8182 58 G 3.9898 9.7472 115.3042 44.6453 0.0000 176.0668 59 A 3.6960 8.1656 119.3382 47.4130 19.3944 177.9541 60 E 4.8856 8.5923 121.6672 55.5021 31.5826 175.3488 61 I 4.8720 8.6535 113.8903 59.5554 42.0397 174.2861 62 T 4.9712 8.6059 118.0560 62.0272 71.7553 173.7905 63 I 4.5774 8.5143 128.8264 60.2851 38.0947 176.4503 64 S 4.9107 8.7693 124.7047 58.2614 64.4049 173.6512 65 A 4.5976 8.0027 122.9844 52.4736 21.1905 177.0440 66 S 4.9063 7.0766 109.8780 59.4593 65.0650 175.2776 67 G 4.2194 8.1667 113.4738 45.0791 0.0000 172.4335 68 A 4.2677 8.6988 120.4953 53.7593 18.3750 178.3395 69 D 4.7163 7.6565 115.5253 51.9895 39.8411 177.0122 70 E 4.0506 8.3910 120.7099 60.2982 29.2339 177.2379 71 N 4.4729 8.0435 118.4453 55.5560 38.6947 176.3232 72 D 4.3024 7.9502 119.9036 57.5450 41.0065 179.0187 73 A 2.5800 7.3360 120.8997 54.7377 18.2775 179.4371 74 L 3.8853 7.5766 118.1902 58.0848 42.0496 179.1738 75 N 4.4361 7.9700 116.3826 56.1695 38.6678 176.8912 76 A 4.0358 8.0756 122.3082 55.5506 18.5600 179.4295 77 L 3.9474 8.2228 117.5375 58.1697 41.4021 179.9200 78 E 4.0485 7.7976 117.3673 60.1481 29.8216 178.2333 79 E 3.7179 8.3774 117.7829 60.5402 29.5397 178.8152 80 T 3.9314 8.1755 109.7455 64.6848 68.8999 176.1139 81 M 3.9520 8.1191 121.4561 57.3194 31.7422 177.8166 82 K 4.5149 7.8775 115.9575 57.3868 33.3427 178.1407 83 S 4.3986 8.1425 117.3225 60.4803 62.5759 175.0957 84 E 4.5097 7.9836 118.7070 55.2795 30.1590 175.8806 85 G 3.9855 7.8042 105.7755 46.9828 0.0000 174.7973 86 L 4.4906 8.2355 119.4433 53.1199 41.4190 178.5918 87 G 4.5550 8.4055 113.6441 45.4393 0.0000 171.3601 88 E 4.9005 8.8425 115.8456 57.3531 28.9493 176.3120 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 2 A 8.25 4.48 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 3 Q 8.28 4.88 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 4 K 8.93 4.42 0.00 1.84 1.80 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.54 0.97 7.81 5 T 8.52 5.13 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 6 F 9.41 4.92 0.00 2.92 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 7 K 8.55 4.69 0.00 1.83 1.97 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.46 7.81 8 V 8.34 3.86 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 0.77 0.00 0.00 1.15 0.00 0.00 9 T 8.70 3.96 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 1.35 0.00 0.00 10 A 7.93 4.64 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 11 D 8.76 4.48 0.00 2.66 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 12 S 8.23 4.56 0.00 4.02 3.95 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 13 G 8.13 3.68 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 0.00 0.00 0.00 14 I 7.81 4.06 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.41 0.79 0.00 0.00 15 H 8.52 4.51 0.00 3.13 3.15 0.00 5.75 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 16 A 8.56 3.67 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 17 R 8.65 3.94 0.00 1.86 1.99 0.00 3.16 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 18 P 0.00 4.18 0.00 2.13 2.12 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 19 A 8.04 3.95 1.39 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 20 T 7.53 3.79 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 1.23 0.00 0.00 21 V 8.09 3.53 2.21 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 0.98 0.00 0.00 0.99 0.00 0.00 22 L 8.22 3.83 0.00 1.71 1.76 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.80 4.42 2.19 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 1.16 0.00 0.00 0.96 0.00 0.00 24 Q 8.10 4.06 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 25 T 7.95 3.86 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 1.33 0.00 0.00 26 A 7.98 4.19 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 27 S 7.78 4.28 0.00 3.98 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 28 K 7.56 3.87 0.00 1.43 1.02 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.51 7.81 29 Y 6.69 4.85 0.00 3.01 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 30 D 8.87 4.42 0.00 2.90 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 31 A 7.79 4.10 1.39 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 32 D 7.97 4.76 0.00 2.56 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 33 V 7.60 3.73 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 1.04 0.00 0.00 0.99 0.00 0.00 34 N 8.68 5.28 0.00 2.63 2.64 0.00 0.00 6.51 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 35 L 9.12 5.17 0.00 1.62 1.56 0.88 0.80 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 36 E 9.14 5.27 0.00 2.04 1.79 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 2.22 2.38 0.00 37 Y 9.48 4.74 0.00 3.01 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 38 N 9.22 3.81 0.00 1.67 2.55 0.00 0.00 7.20 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 39 G 8.28 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 0.00 0.00 0.00 40 K 7.54 4.08 0.00 2.05 1.77 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.30 7.81 41 T 8.80 5.16 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 1.35 0.00 0.00 42 V 8.70 4.56 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 0.72 0.00 0.00 0.97 0.00 0.00 43 N 8.65 4.80 0.00 2.74 2.73 0.00 0.00 6.99 7.78 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 44 L 8.56 4.09 0.00 1.79 1.63 0.89 0.54 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 45 K 8.70 5.04 0.00 1.94 1.75 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.37 7.81 *47 I 7.51 4.22 1.86 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 1.40 1.35 0.90 0.00 0.00 48 M 8.08 4.11 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 49 G 8.05 3.75 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 0.00 0.00 0.00 50 V 7.69 3.67 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 0.98 0.00 0.00 0.89 0.00 0.00 51 M 7.76 4.23 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 52 S 7.74 4.45 0.00 4.02 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 0.00 53 L 7.93 3.93 0.00 1.63 1.38 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.79 3.85 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 0.00 0.00 0.00 55 I 6.95 3.88 1.76 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 0.97 0.60 0.79 0.00 0.00 56 A 8.31 4.53 1.21 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 57 K 8.74 3.77 0.00 1.95 1.79 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.52 7.81 58 G 9.75 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 59 A 8.17 3.70 1.44 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 60 E 8.59 4.89 0.00 2.25 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 2.23 2.32 0.00 61 I 8.65 4.87 1.98 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 1.35 0.80 1.16 0.00 0.00 62 T 8.61 4.97 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 1.26 0.00 0.00 63 I 8.51 4.58 1.94 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.35 0.89 0.00 0.00 64 S 8.77 4.91 0.00 3.76 3.85 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 65 A 8.00 4.60 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 66 S 7.08 4.91 0.00 3.85 3.98 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 0.00 0.00 0.00 67 G 8.17 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 0.00 0.00 0.00 0.00 68 A 8.70 4.27 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 69 D 7.66 4.72 0.00 2.87 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 70 E 8.39 4.05 0.00 2.20 2.39 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 2.45 2.34 0.00 71 N 8.04 4.47 0.00 2.71 2.76 0.00 0.00 7.13 8.08 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 72 D 7.95 4.30 0.00 2.55 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 73 A 7.34 2.58 1.05 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 74 L 7.58 3.89 0.00 1.81 1.77 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.97 4.44 0.00 2.93 2.83 0.00 0.00 6.75 7.18 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 76 A 8.08 4.04 1.53 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 0.00 0.00 77 L 8.22 3.95 0.00 1.81 1.68 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.80 4.05 0.00 2.23 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 0.00 2.77 2.73 0.00 79 E 8.38 3.72 0.00 2.11 2.19 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 2.35 2.43 0.00 80 T 8.18 3.93 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 1.22 0.00 0.00 81 M 8.12 3.95 0.00 1.94 2.24 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.51 0.00 82 K 7.88 4.51 0.00 1.92 1.98 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.28 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.85 7.81 83 S 8.14 4.40 0.00 4.02 3.95 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 84 E 7.98 4.51 0.00 1.90 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 2.32 0.00 85 G 7.80 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 86 L 8.24 4.49 0.00 1.71 1.58 0.88 0.81 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 G 8.41 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.84 4.90 0.00 2.10 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 2.08 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.