NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2442 8.1127 120.8562 56.6641 32.3323 177.1768 7 T 3.6148 7.8897 111.7491 63.4445 67.0701 172.5487 8 E 4.1411 8.9424 120.3961 59.3927 30.0741 178.2753 9 E 4.0192 7.9282 118.9510 58.7084 29.6822 178.9495 10 V 3.2492 7.8913 118.6498 65.9310 31.4697 177.4987 11 D 4.3971 8.3871 118.9939 57.9273 40.7877 178.7035 12 H 4.2149 7.8131 118.4406 59.1042 29.8333 177.0250 13 L 3.9206 7.6227 121.6570 58.2687 41.9290 178.8583 14 F 4.6007 8.2407 118.0573 60.7769 38.6120 177.2238 15 E 3.9815 8.5193 118.0743 59.0948 29.8006 178.4142 16 A 3.9461 7.8205 120.4168 55.2974 18.5167 179.6996 17 I 3.4198 7.8415 118.3727 64.4539 36.9568 178.6947 18 L 4.0450 8.2642 119.4347 57.4145 41.4968 178.4539 19 C 4.3116 7.5024 111.8470 58.0126 30.4491 174.0287 20 L 4.1592 7.0493 121.7818 54.9222 41.7373 176.9098 21 K 4.5556 8.9183 120.1677 56.0924 34.7194 176.2242 22 N 4.9839 7.7100 115.0382 50.3400 41.3265 175.0301 23 K 3.9397 8.7799 120.1257 59.8698 32.0333 179.3721 24 E 4.1613 8.2932 118.1621 59.6492 29.5213 179.0282 25 E 4.0892 8.9073 118.8056 59.5192 29.4391 179.4026 26 C 4.3978 8.0543 116.5061 63.0657 28.2568 175.4345 27 Y 4.1614 8.1744 118.3699 61.5285 37.1257 178.9578 28 T 3.9309 8.1797 116.3444 66.7244 68.6096 176.4267 29 F 4.0062 8.3991 122.2270 61.5292 39.4780 177.4509 30 F 3.9464 8.6721 117.6713 60.3435 38.4231 177.5941 31 E 4.0119 8.1857 117.7308 59.2009 29.2269 178.9277 32 D 4.3917 7.1518 118.2098 57.4310 41.0623 178.6190 33 V 3.5435 7.1355 117.1890 64.1119 31.8128 175.7428 34 C 4.9181 7.4008 115.2486 57.8932 30.4205 174.1751 35 T 4.2295 8.7045 113.6588 61.0497 70.6067 175.6968 36 I 3.6979 8.3310 121.8851 65.1950 37.0532 178.4233 37 N 4.4181 8.1242 116.1800 56.1214 38.3582 177.3799 38 E 3.9458 8.4234 120.4407 59.3260 29.6067 179.0606 39 L 3.9728 8.0258 120.3641 58.0086 42.0424 178.9846 40 L 3.9993 8.0640 118.9976 57.8627 41.6606 179.4552 41 S 4.0874 8.2898 113.1557 61.2953 62.3438 176.1234 42 L 3.9974 8.3228 122.1346 58.0437 41.4266 179.5643 43 S 4.2183 8.2522 112.9030 61.0021 62.1778 175.9486 44 Q 3.9997 8.4243 122.8859 59.2500 28.7460 178.3772 45 R 3.9320 8.0226 118.9912 59.0581 29.9994 178.7680 46 F 4.3134 8.3251 120.4418 61.4660 39.2675 176.7378 47 E 3.8491 8.2478 117.4462 59.2732 29.4915 178.5336 48 V 3.5926 7.8180 117.2017 65.8872 31.8693 177.5359 49 A 3.8693 8.0057 120.6792 54.7348 18.0346 180.1319 50 K 3.0257 7.5397 114.6873 57.1014 31.8200 178.3608 *52 L 4.2458 7.8675 119.4737 54.6386 43.5435 179.3080 53 T 3.7760 7.7295 114.0683 66.7169 68.3709 174.7929 54 D 4.5477 7.8748 118.5781 53.8510 40.5391 176.3206 55 K 3.8756 7.8985 117.2085 57.5354 29.9260 176.3398 56 R 4.2650 7.8701 116.5475 55.8301 31.2132 177.0664 57 T 4.4569 8.0582 110.5823 61.2374 71.4388 175.4441 58 Y 4.1267 8.6152 119.1125 61.1108 37.8152 178.6313 59 L 3.9838 8.0002 120.8409 58.1569 42.2954 178.3077 60 D 4.3217 7.8096 117.1096 57.4527 41.0817 178.3151 61 I 3.6501 7.8236 120.2208 64.4285 37.0663 178.4152 62 S 4.2565 8.3312 115.6877 60.9553 62.0075 176.0668 63 E 3.9671 8.3637 120.7452 59.0892 29.2283 179.0454 64 K 4.0977 7.9960 119.1903 59.2218 32.5123 178.2652 65 T 4.4059 8.0867 107.1283 60.8494 69.7066 175.7685 66 G 3.8778 8.2986 109.2234 45.3878 0.0000 173.8239 67 A 4.0726 7.8007 124.3012 51.7177 19.0540 177.8578 68 S 4.4121 8.3775 117.4517 57.9912 65.4242 175.5777 69 T 3.8700 8.4903 118.4693 66.8478 68.1323 176.5848 70 A 4.0214 7.9596 122.0135 55.5051 18.5066 179.6820 71 T 3.8166 7.8214 114.0404 66.8424 68.5203 177.0711 72 I 3.5300 7.8109 121.8374 64.1896 36.9097 178.4268 73 S 4.1455 8.3725 114.4206 61.2747 62.3717 175.9574 74 R 3.8703 8.0502 121.3872 59.6184 29.8231 178.4529 75 V 3.6084 7.7991 117.7421 66.1012 31.4207 177.3641 76 N 4.2764 8.5636 117.0821 56.8343 38.7786 176.8082 77 R 3.9438 8.3908 120.3465 59.3597 30.1007 178.7415 78 S 4.2077 8.0646 114.8059 61.4817 62.6608 176.3063 79 L 4.0576 7.8618 121.7094 58.4397 41.9269 178.5518 80 N 4.5248 8.2720 115.3815 56.1576 38.4873 176.7285 81 Y 4.3464 7.9415 120.5557 59.0662 39.3059 176.2510 82 G 4.1060 8.1049 106.8665 44.7537 0.0000 172.4801 83 N 5.2290 8.5426 122.3689 52.5961 38.1704 176.3969 84 D 4.3098 8.5215 121.3760 58.3752 41.2989 178.5246 85 G 3.5374 8.0270 107.0496 48.8747 0.0000 174.2313 86 Y 3.8158 7.8390 118.5176 60.6339 38.0133 179.7413 87 E 4.3900 8.2278 117.9328 56.7681 28.8780 179.3938 *89 V 4.0622 7.8983 114.6070 61.5570 33.6981 178.1153 90 F 4.6067 8.4647 118.1082 60.8811 39.2246 176.8305 91 S 4.3812 8.6580 116.8471 61.9679 62.8749 177.9915 92 R 4.4517 7.5170 117.9964 56.3722 29.1800 178.7487 *94 K 4.2560 8.2135 120.9641 56.6174 33.7489 177.4545 95 E 4.0839 8.4443 118.2028 59.4872 29.4508 179.5899 96 K 4.0920 7.9282 116.5167 58.9556 32.2546 178.2129 97 E 4.0971 7.7158 118.1417 58.6369 29.8719 176.5089 98 T 4.1156 7.4440 112.4903 61.7871 68.9149 174.1300 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 R 8.11 4.24 0.00 1.84 1.97 0.00 3.14 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 7 T 7.89 3.61 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 1.20 0.00 0.00 8 E 8.94 4.14 0.00 2.17 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 0.00 2.34 2.33 0.00 9 E 7.93 4.02 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 10 V 7.89 3.25 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 0.29 0.00 0.00 0.82 0.00 0.00 11 D 8.39 4.40 0.00 2.88 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 12 H 7.81 4.21 0.00 3.24 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.62 3.92 0.00 1.77 1.61 1.12 0.96 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 14 F 8.24 4.60 0.00 3.19 2.98 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 15 E 8.52 3.98 0.00 2.11 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 2.34 2.38 0.00 16 A 7.82 3.95 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 17 I 7.84 3.42 2.10 0.00 0.00 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 1.67 1.08 1.06 0.00 0.00 18 L 8.26 4.04 0.00 1.69 1.71 0.92 0.91 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 19 C 7.50 4.31 0.00 3.10 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 20 L 7.05 4.16 0.00 1.73 1.64 0.83 0.69 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 21 K 8.92 4.56 0.00 1.80 1.80 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 22 N 7.71 4.98 0.00 2.97 2.89 0.00 0.00 6.27 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.78 3.94 0.00 1.92 2.11 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.59 7.81 24 E 8.29 4.16 0.00 2.19 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 2.46 2.38 0.00 25 E 8.91 4.09 0.00 2.16 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 2.36 2.75 0.00 26 C 8.05 4.40 0.00 3.20 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 27 Y 8.17 4.16 0.00 3.24 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 28 T 8.18 3.93 4.51 0.00 0.00 0.00 0.00 0.00 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 29 F 8.40 4.01 0.00 2.94 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 30 F 8.67 3.95 0.00 3.19 3.03 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 0.00 0.00 0.00 31 E 8.19 4.01 0.00 2.17 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 0.00 2.46 2.58 0.00 32 D 7.15 4.39 0.00 2.46 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.14 3.54 1.61 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 0.68 0.00 0.00 -0.05 0.00 0.00 34 C 7.40 4.92 0.00 3.16 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 35 T 8.70 4.23 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 1.21 0.00 0.00 36 I 8.33 3.70 1.88 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 1.67 0.82 0.93 0.00 0.00 37 N 8.12 4.42 0.00 2.74 2.87 0.00 0.00 7.01 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 8.42 3.95 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 39 L 8.03 3.97 0.00 1.79 1.81 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.06 4.00 0.00 1.76 1.72 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.29 4.09 0.00 3.89 4.05 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 42 L 8.32 4.00 0.00 1.79 1.66 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.25 4.22 0.00 3.84 4.03 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 0.00 0.00 0.00 44 Q 8.42 4.00 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 45 R 8.02 3.93 0.00 2.07 2.06 0.00 3.23 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 46 F 8.33 4.31 0.00 3.25 3.31 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 47 E 8.25 3.85 0.00 2.19 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 2.34 2.34 0.00 48 V 7.82 3.59 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 0.72 0.00 0.00 0.90 0.00 0.00 49 A 8.01 3.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.54 3.03 0.00 1.22 1.60 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.01 0.64 7.81 *52 L 7.87 4.25 0.00 1.80 1.69 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.73 3.78 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 1.18 0.00 0.00 54 D 7.87 4.55 0.00 2.56 2.59 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 0.00 55 K 7.90 3.88 0.00 1.88 1.90 0.00 1.70 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.52 7.81 56 R 7.87 4.27 0.00 1.77 1.98 0.00 3.51 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 57 T 8.06 4.46 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 1.22 0.00 0.00 58 Y 8.62 4.13 0.00 2.95 3.07 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 0.00 0.00 0.00 59 L 8.00 3.98 0.00 1.79 1.69 0.94 1.19 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 60 D 7.81 4.32 0.00 2.86 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 61 I 7.82 3.65 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 0.78 0.00 0.00 62 S 8.33 4.26 0.00 3.92 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 63 E 8.36 3.97 0.00 1.95 2.00 0.00 0.00 0.00 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 2.40 0.00 64 K 8.00 4.10 0.00 1.76 1.81 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 65 T 8.09 4.41 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 1.23 0.00 0.00 66 G 8.30 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 67 A 7.80 4.07 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 68 S 8.38 4.41 0.00 4.07 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 69 T 8.49 3.87 4.31 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 1.39 0.00 0.00 70 A 7.96 4.02 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 71 T 7.82 3.82 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 1.19 0.00 0.00 72 I 7.81 3.53 1.40 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.47 -0.14 0.00 0.00 73 S 8.37 4.15 0.00 4.06 4.08 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 74 R 8.05 3.87 0.00 2.10 2.02 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 75 V 7.80 3.61 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 0.83 0.00 0.00 0.96 0.00 0.00 76 N 8.56 4.28 0.00 2.87 2.99 0.00 0.00 6.90 7.53 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 77 R 8.39 3.94 0.00 1.94 2.09 0.00 3.15 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 78 S 8.06 4.21 0.00 4.23 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 79 L 7.86 4.06 0.00 1.93 1.83 0.79 0.88 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 80 N 8.27 4.52 0.00 2.80 2.92 0.00 0.00 7.04 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 81 Y 7.94 4.35 0.00 3.04 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 82 G 8.10 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 0.00 0.00 0.00 0.00 83 N 8.54 5.23 0.00 2.95 3.23 0.00 0.00 6.27 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 84 D 8.52 4.31 0.00 2.64 2.74 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 0.00 0.00 0.00 0.00 85 G 8.03 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 86 Y 7.84 3.82 0.00 2.84 2.33 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 87 E 8.23 4.39 0.00 2.04 2.00 0.00 0.00 0.00 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 2.57 0.00 *89 V 7.90 4.06 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 0.76 0.00 0.00 0.97 0.00 0.00 90 F 8.46 4.61 0.00 2.99 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 91 S 8.66 4.38 0.00 3.92 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 92 R 7.52 4.45 0.00 2.03 1.96 0.00 3.15 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 *94 K 8.21 4.26 0.00 2.09 1.97 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.54 7.81 95 E 8.44 4.08 0.00 2.28 2.00 0.00 0.00 0.00 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 2.48 0.00 96 K 7.93 4.09 0.00 1.95 1.90 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.43 7.81 97 E 7.72 4.10 0.00 2.00 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 2.33 2.26 0.00 98 T 7.44 4.12 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 1.28 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.