NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.2625 8.3044 120.3472 55.4559 33.5781 175.5999 7 M 3.8865 8.6362 127.4382 55.7110 32.1409 173.0817 8 S 4.5684 8.5273 122.1550 58.3421 65.4227 174.5126 9 G 3.8935 9.0808 112.3237 44.9965 0.0000 172.7956 10 A 4.4515 7.4010 120.3833 49.9940 19.8518 176.2703 11 P 4.7295 0.0000 0.0000 62.7668 32.3044 176.2660 12 S 4.4767 9.2533 117.9021 57.9896 63.9144 173.7097 13 A 4.2321 8.2969 121.7569 51.8304 19.1772 177.5039 14 T 4.0564 8.3481 116.6679 63.9086 68.9858 174.1626 15 Q 4.6130 9.0788 126.2454 53.5047 31.9897 173.0912 16 P 5.2118 0.0000 0.0000 61.0627 32.9556 175.7499 17 A 4.3607 8.8471 125.8428 53.0762 19.2897 178.2395 18 T 4.6883 8.7522 112.4287 60.5581 72.6817 175.0246 19 A 4.0509 8.3904 120.3779 55.3299 18.4518 179.6034 20 E 3.7907 7.9179 117.8906 59.6036 29.6719 179.0987 21 T 3.4174 7.4301 115.3031 66.6424 68.5595 176.2953 22 Q 3.9267 7.8379 121.1690 59.1375 29.0452 177.5391 23 H 4.2343 8.2508 119.6374 58.9001 29.6212 177.3611 24 I 3.4744 7.5962 120.9338 64.0616 37.1375 177.7355 25 A 4.1986 7.9056 121.5616 55.6189 17.8912 179.5813 26 D 4.4381 8.3220 117.0035 57.3738 40.6088 178.9393 27 Q 4.0744 7.9436 117.9356 57.8249 29.0627 177.7206 28 V 4.2779 7.7705 116.9635 61.9051 32.8201 176.8233 29 R 3.3165 7.4122 117.4390 60.5068 29.6854 178.2220 30 S 4.0913 7.8233 113.9181 61.4325 62.9830 176.3409 31 Q 3.9774 8.0110 120.3767 58.7862 28.3834 178.5153 32 L 3.6334 7.6726 120.7002 58.3593 42.3096 179.0603 33 E 4.2430 7.9379 119.6468 58.8034 28.8707 178.9580 34 E 4.0297 8.4259 119.5771 58.8572 29.4792 178.8370 35 K 3.9559 7.9140 118.0101 59.1563 32.3999 178.0712 36 Y 4.6747 8.6762 118.2886 57.4821 39.1518 174.3521 37 N 4.1371 7.7355 116.3450 54.3442 38.1213 173.5681 38 K 4.3291 7.8082 115.5170 54.2381 35.5682 174.4556 39 K 4.1231 8.2270 125.1462 54.8218 33.2605 175.9754 40 F 4.4545 8.6840 123.6985 55.7362 39.0935 173.7843 *43 P 4.5136 0.0000 0.0000 61.8601 32.9472 177.3809 44 V 4.4003 7.5003 117.0691 61.3738 33.4012 175.1294 45 F 4.9717 8.3629 127.2983 56.6494 39.6916 172.5763 46 K 4.6078 8.6968 124.2699 53.9693 34.2660 175.6484 47 A 4.2717 8.5992 130.2161 53.2286 18.3773 176.0997 48 V 4.2647 9.5070 121.7515 64.1752 34.1192 175.4430 49 S 5.5253 7.8862 113.9875 57.1349 67.8697 172.3251 50 F 5.7177 9.4421 114.7940 56.1439 41.3715 173.3781 51 K 4.9642 9.3860 118.2741 54.9100 36.5018 175.5816 52 S 5.5100 9.1293 118.2234 56.9793 66.9029 173.1709 53 Q 4.7948 8.7375 119.0961 54.6597 32.2780 174.1293 54 V 4.2182 8.5012 122.3189 62.3859 31.7059 174.9271 55 V 4.5763 8.0583 125.2200 61.0641 33.3484 176.7538 56 A 4.4680 8.7048 121.9010 51.4284 18.7628 177.4072 57 G 3.8413 6.8278 111.0620 46.1202 0.0000 171.1267 58 T 4.9806 8.4479 118.8778 62.0630 73.0962 173.0777 59 N 5.0591 8.9684 124.3166 52.6480 40.3326 173.6344 60 Y 5.0570 8.8411 121.6355 56.2049 41.0569 174.7634 61 F 5.3275 9.4970 123.2114 56.0951 41.2895 174.5179 62 I 5.1065 8.9338 125.5698 59.2582 40.3056 174.7888 63 K 4.7127 8.9406 129.0417 55.3423 33.6201 175.1649 64 V 4.5439 8.5649 128.1443 61.1322 34.0555 173.8782 65 H 3.8565 9.6149 130.0833 55.7578 30.1282 175.4431 66 V 4.3768 7.4328 125.0063 59.8590 32.8157 175.4493 67 G 4.1000 7.0237 112.3580 45.6809 0.0000 172.5934 68 D 4.6237 8.3912 122.7646 55.2609 43.9117 175.9857 *92 E 5.0020 7.7985 118.6458 56.0450 31.4060 174.5868 93 D 5.1710 8.0034 116.9514 52.1414 43.4805 174.9610 94 F 5.3857 8.9907 123.5697 55.7447 43.5294 174.1288 95 V 4.7923 8.5427 119.3423 61.6805 35.1944 173.6755 96 H 5.5963 8.9933 123.8779 54.3319 31.1466 173.7280 97 L 5.2635 9.1153 122.3009 52.9761 45.1934 175.5799 98 R 4.5653 9.4329 123.5319 54.7070 32.3586 174.2402 99 V 4.8727 8.6519 127.6654 61.0187 34.3535 173.9258 100 F 5.3628 9.4882 130.9611 57.1843 40.9822 173.8271 101 Q 4.5973 8.6368 128.1247 54.0015 30.9113 175.3033 102 S 4.1881 8.0688 122.2628 57.8342 64.1513 174.1039 102A L 4.0962 8.2400 121.0638 54.1329 42.2177 176.5412 103 P 4.1773 0.0000 0.0000 66.1810 31.2939 177.8770 104 H 4.4959 8.1972 109.7487 56.9181 28.4913 175.3470 105 E 4.2020 8.0146 119.5268 55.8017 30.6816 175.2429 105A N 4.0965 7.4365 116.3255 54.4824 37.8789 173.6440 106 K 4.6018 7.6007 114.7269 53.6460 34.6345 175.2019 107 P 4.4850 0.0000 0.0000 62.1488 32.1154 176.0122 108 L 4.3264 8.2240 119.3709 55.4067 42.3998 176.7401 109 T 4.6030 8.7362 119.1205 61.6626 72.1367 173.4707 110 L 4.5726 8.6543 128.0885 54.6686 40.7613 176.4182 111 S 4.4064 8.8923 122.6213 61.2283 63.5749 173.7563 112 N 5.2102 8.0164 115.9286 53.0226 42.4180 172.4559 113 Y 5.6003 8.1510 118.7571 55.7926 41.5568 174.0269 114 Q 4.4614 9.1713 119.1565 54.4187 32.1914 174.9856 115 T 4.7009 8.2369 118.7854 61.6064 72.0564 172.9731 115A N 4.1819 8.4987 116.5720 54.6154 35.7788 174.3433 116 K 4.4039 7.9204 117.8026 54.7410 34.7872 174.5210 117 A 4.8465 8.3920 125.3463 49.6510 21.5477 177.6687 118 K 2.0000 8.2656 120.6203 59.1361 31.9531 177.3597 119 H 4.7837 7.5810 111.6007 55.4564 29.1959 174.6618 120 D 4.5206 7.4397 120.7161 53.8084 41.2349 176.2011 121 E 4.0457 8.4983 123.2098 55.9407 30.1300 177.0020 122 L 4.1167 8.4173 123.2306 55.0337 40.9152 176.2769 123 T 4.5476 8.0570 113.3577 59.1080 71.5599 173.2215 124 Y 3.3687 8.1352 122.6936 57.2567 39.3717 175.0869 125 F 4.3937 7.1263 120.1279 57.3358 37.5346 173.8527 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 4.26 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 7 M 8.64 3.89 0.00 2.07 2.00 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 2.55 2.54 0.00 8 S 8.53 4.57 0.00 3.88 3.76 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 9 G 9.08 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.40 4.45 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 11 P 0.00 4.73 0.00 1.96 2.19 0.00 3.64 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 1.97 2.27 0.00 12 S 9.25 4.48 0.00 3.78 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 13 A 8.30 4.23 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 14 T 8.35 4.06 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 1.16 0.00 0.00 15 Q 9.08 4.61 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.86 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 16 P 0.00 5.21 0.00 1.98 2.00 0.00 3.72 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 1.99 2.08 0.00 17 A 8.85 4.36 1.28 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 0.00 0.00 18 T 8.75 4.69 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 1.31 0.00 0.00 19 A 8.39 4.05 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 20 E 7.92 3.79 0.00 1.95 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 2.10 2.25 0.00 21 T 7.43 3.42 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 1.08 0.00 0.00 22 Q 7.84 3.93 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 23 H 8.25 4.23 0.00 3.24 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.60 3.47 1.65 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.56 0.00 0.00 25 A 7.91 4.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.44 0.00 2.92 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 27 Q 7.94 4.07 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 28 V 7.77 4.28 2.10 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 1.10 0.00 0.00 0.94 0.00 0.00 29 R 7.41 3.32 0.00 1.53 1.64 0.00 2.84 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 30 S 7.82 4.09 0.00 3.85 3.84 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 0.00 0.00 0.00 31 Q 8.01 3.98 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 32 L 7.67 3.63 0.00 1.67 1.73 0.64 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.94 4.24 0.00 2.19 1.96 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 2.61 2.42 0.00 34 E 8.43 4.03 0.00 2.18 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 2.31 2.34 0.00 35 K 7.91 3.96 0.00 1.94 2.17 0.00 1.91 0.00 0.00 1.97 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.67 7.81 36 Y 8.68 4.67 0.00 2.89 3.15 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 37 N 7.74 4.14 0.00 2.72 2.70 0.00 0.00 6.83 6.56 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 38 K 7.81 4.33 0.00 1.63 1.19 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.46 1.10 7.81 39 K 8.23 4.12 0.00 1.64 1.62 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.33 7.81 40 F 8.68 4.45 0.00 3.02 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 *43 P 0.00 4.51 0.00 2.10 2.16 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 44 V 7.50 4.40 1.96 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 0.98 0.00 0.00 0.95 0.00 0.00 45 F 8.36 4.97 0.00 2.88 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 46 K 8.70 4.61 0.00 1.82 1.63 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.36 7.81 47 A 8.60 4.27 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 48 V 9.51 4.26 2.36 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 1.17 0.00 0.00 1.17 0.00 0.00 49 S 7.89 5.53 0.00 3.78 3.72 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 50 F 9.44 5.72 0.00 3.27 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 51 K 9.39 4.96 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 52 S 9.13 5.51 0.00 3.91 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 53 Q 8.74 4.79 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 54 V 8.50 4.22 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 0.82 0.00 0.00 0.94 0.00 0.00 55 V 8.06 4.58 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 0.80 0.00 0.00 1.12 0.00 0.00 56 A 8.70 4.47 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 6.83 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.45 4.98 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 0.48 0.00 0.00 59 N 8.97 5.06 0.00 2.55 2.12 0.00 0.00 6.46 7.09 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 60 Y 8.84 5.06 0.00 2.82 2.84 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 0.00 0.00 0.00 61 F 9.50 5.33 0.00 3.03 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 62 I 8.93 5.11 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.94 0.00 0.00 63 K 8.94 4.71 0.00 1.70 1.70 0.00 1.58 0.00 0.00 1.33 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.65 1.47 7.81 64 V 8.56 4.54 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 -0.21 0.00 0.00 0.55 0.00 0.00 65 H 9.61 3.86 0.00 2.83 2.99 0.00 5.59 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.43 4.38 1.91 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 1.02 0.00 0.00 0.68 0.00 0.00 67 G 7.02 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 0.00 0.00 0.00 68 D 8.39 4.62 0.00 2.78 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 *92 E 7.80 5.00 0.00 2.00 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 2.26 2.48 0.00 93 D 8.00 5.17 0.00 2.89 2.51 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 0.00 94 F 8.99 5.39 0.00 2.97 2.89 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 0.00 0.00 0.00 0.00 95 V 8.54 4.79 1.91 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 0.84 0.00 0.00 0.79 0.00 0.00 96 H 8.99 5.60 0.00 3.09 3.38 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.12 5.26 0.00 1.85 1.63 0.96 0.97 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 98 R 9.43 4.57 0.00 1.07 1.64 0.00 2.78 0.00 0.00 2.79 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.60 0.00 99 V 8.65 4.87 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 0.94 0.00 0.00 0.97 0.00 0.00 100 F 9.49 5.36 0.00 3.00 2.90 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 0.00 0.00 0.00 101 Q 8.64 4.60 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 102 S 8.07 4.19 0.00 3.62 3.66 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 102A L 8.24 4.10 0.00 1.79 1.62 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.18 0.00 2.19 2.13 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 104 H 8.20 4.50 0.00 3.23 3.44 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.01 4.20 0.00 1.95 1.95 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 2.21 1.92 0.00 105A N 7.44 4.10 0.00 2.74 2.81 0.00 0.00 7.08 6.53 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 0.00 106 K 7.60 4.60 0.00 1.72 1.69 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.56 7.81 107 P 0.00 4.48 0.00 2.17 2.04 0.00 3.77 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 1.99 1.98 0.00 108 L 8.22 4.33 0.00 1.49 1.62 0.91 0.69 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 0.00 109 T 8.74 4.60 4.38 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 1.28 0.00 0.00 110 L 8.65 4.57 0.00 1.71 1.78 1.11 1.05 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 0.00 111 S 8.89 4.41 0.00 3.74 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 0.00 112 N 8.02 5.21 0.00 2.77 2.81 0.00 0.00 6.69 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 0.00 113 Y 8.15 5.60 0.00 3.01 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 0.00 114 Q 9.17 4.46 0.00 1.60 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 115 T 8.24 4.70 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 1.18 0.00 0.00 115A N 8.50 4.18 0.00 2.90 2.95 0.00 0.00 6.76 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 0.00 116 K 7.92 4.40 0.00 1.77 1.65 0.00 1.34 0.00 0.00 1.41 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.63 1.14 7.81 117 A 8.39 4.85 1.25 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 0.00 0.00 0.00 118 K 8.27 2.00 0.00 1.51 1.45 0.00 1.46 0.00 0.00 1.49 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.39 7.81 119 H 7.58 4.78 0.00 3.11 3.25 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.44 4.52 0.00 2.77 2.56 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 0.00 121 E 8.50 4.05 0.00 1.93 1.87 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 2.29 2.37 0.00 122 L 8.42 4.12 0.00 1.62 1.68 1.02 0.78 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 8.06 4.55 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 1.27 0.00 0.00 124 Y 8.14 3.37 0.00 2.67 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 0.00 125 F 7.13 4.39 0.00 3.10 2.84 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.