NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5985 8.4449 117.3765 54.2436 29.7347 172.4800 *2 D 4.4541 8.4579 122.7566 53.5612 41.8349 174.7773 3 I 4.4296 8.2526 124.4486 60.1160 38.8179 175.1404 4 R 4.4761 8.9393 126.0041 54.5385 32.5039 174.5085 5 Y 5.0478 8.3314 121.0249 56.1946 40.2910 175.0714 6 F 4.8245 9.2851 122.6794 55.8685 43.0011 175.6183 7 G 4.0246 8.9110 110.3321 46.9729 0.0000 173.6653 8 T 4.3098 7.7986 114.0887 63.2437 69.4466 174.6886 9 T 4.5528 8.3115 115.4032 58.6469 71.6005 173.1691 10 P 4.1822 0.0000 0.0000 64.6496 31.4806 177.5669 11 R 4.3925 7.1479 117.7100 57.5610 31.3263 175.0675 12 Y 4.8506 7.3415 113.7134 56.1054 41.0770 172.8982 13 S 5.0911 8.3495 115.7665 56.6677 65.0683 174.6843 14 E 4.0127 8.5542 122.6104 59.0296 30.1720 176.8919 15 A 5.1616 8.0334 119.3326 50.3826 23.4055 175.5022 16 V 4.9043 9.1616 119.5797 61.1424 35.4900 174.5333 17 G 4.7138 9.4895 114.2458 44.4961 0.0000 171.5077 18 A 4.9690 9.1426 125.6634 51.0015 23.0385 175.8938 19 N 4.2591 9.7416 121.8597 54.7191 37.4441 175.2354 20 G 4.0104 8.0861 104.9481 45.6138 0.0000 173.1073 21 L 4.9166 7.4916 119.4321 53.7089 44.1911 175.7762 22 I 5.1317 8.4699 121.6538 59.7094 41.3536 174.2493 23 F 5.1230 9.5895 126.0073 55.7200 41.4152 174.6042 24 L 4.9531 8.7069 124.3673 53.2523 43.0937 177.0363 25 S 4.2234 8.6045 118.8397 58.4968 63.6603 176.4287 26 G 4.3040 8.0803 108.3771 44.9323 0.0000 173.2197 *28 V 3.4392 7.9860 111.6963 59.9802 32.4976 173.6176 29 P 4.3324 0.0000 0.0000 62.9540 31.4997 176.4371 30 E 4.6670 9.7414 121.7392 56.3628 30.9353 175.8307 31 N 4.9228 7.9548 115.4170 52.8719 42.7325 174.3470 32 G 4.0876 8.9716 108.0340 45.5107 0.0000 172.9928 33 E 4.5168 8.4746 117.6205 56.8083 31.6304 177.4635 34 T 4.3890 7.5658 109.0346 60.2583 71.6241 175.2268 35 A 3.9679 8.5352 123.2434 55.4499 18.2937 180.0059 36 A 3.9248 8.1095 118.5559 55.3948 18.6167 179.6008 37 E 3.9200 8.1204 117.0504 59.5954 29.4372 179.7260 38 Q 4.2164 8.3013 119.6813 58.7049 28.8125 178.6561 39 T 3.7829 8.1350 116.7333 66.5498 68.4802 176.2439 40 A 3.9051 8.0837 122.6101 55.4068 18.3212 179.2423 41 D 4.2241 8.0745 116.3772 57.3942 41.3646 178.6056 42 V 3.5113 8.0375 119.2001 65.9646 31.4570 178.0973 43 L 3.4615 7.9183 118.5518 57.1021 41.1426 179.2247 44 A 3.9881 7.8343 120.9751 55.2872 18.3149 179.5651 45 Q 3.9457 7.7969 116.1113 59.2670 28.8458 179.2906 46 I 3.8378 7.6116 120.1147 64.5332 37.2654 177.9749 47 D 4.5484 8.3985 119.8080 57.7132 40.7680 179.4281 48 R 3.7925 8.1231 118.3231 59.1457 29.7032 179.2834 49 W 4.3164 8.7186 119.0475 59.6241 29.0082 178.6334 50 L 4.0085 8.6828 119.3157 57.6872 41.0509 179.3210 51 A 4.0778 7.9151 120.4250 55.3628 18.1084 179.3963 52 E 3.9409 7.8426 115.6877 59.2951 29.5970 178.4851 53 C 3.8607 7.2768 113.2985 58.5187 28.8450 173.6784 54 G 3.7489 8.2454 109.3005 46.5996 0.0000 173.2216 55 S 4.7164 7.9865 114.8191 57.6612 65.6243 171.4268 56 D 4.4986 8.0350 117.4824 52.4501 41.0695 176.4051 57 K 3.6364 8.6365 118.3474 59.4773 32.1635 177.4335 58 A 4.2405 7.6900 120.3821 52.6943 18.6401 176.9294 59 H 4.7965 8.3320 113.4537 55.4990 30.2149 173.0063 60 V 4.1317 7.7766 119.7996 62.5743 32.2475 175.7027 61 L 4.3598 8.5633 127.0432 57.1212 43.1487 176.1875 62 D 5.2937 8.6997 116.7326 52.7799 45.4909 174.2303 63 A 5.2376 8.9854 125.0404 50.4971 23.0482 174.9734 64 V 4.3628 8.9187 123.1822 60.9534 34.2687 174.3372 65 I 4.7062 8.2063 128.5371 59.6644 40.1114 173.9053 66 Y 5.2310 9.0619 125.5511 56.2752 40.1783 174.7008 67 L 5.1623 8.6216 124.2676 52.8428 44.0578 177.4490 68 R 4.1394 8.7451 124.4899 58.7235 30.6149 175.2489 69 D 5.0661 7.1001 116.6961 51.8459 43.6241 175.0070 *71 G 3.8989 8.6194 104.5285 45.6690 0.0000 173.0045 72 D 4.7187 8.4028 119.6098 54.3954 41.1864 177.4832 73 Y 4.0567 8.2144 120.9225 60.8984 39.1356 177.3447 74 A 3.9802 8.2270 121.8522 55.3225 18.9831 179.7094 75 E 4.2007 7.6421 113.7577 57.1262 29.2380 178.0922 *77 N 4.7268 8.3341 116.9595 52.7265 40.5142 176.8846 78 G 3.7486 8.1528 103.9678 47.8157 0.0000 175.6287 79 V 3.8093 7.5058 119.2874 65.3554 31.6726 177.6541 80 W 4.3591 8.3214 127.6724 61.0462 30.2820 177.4380 81 D 4.4634 8.8217 117.0971 57.2578 40.3246 178.2578 82 A 4.2064 7.7151 119.4432 53.4490 18.7140 178.4266 83 W 4.3856 7.7539 125.3904 58.1741 31.7613 177.0371 84 V 2.8804 6.8104 110.5532 60.8310 31.7656 175.2378 85 A 4.0617 7.7427 124.8254 50.5917 19.3748 177.1327 86 A 4.1196 8.3552 126.5070 53.7824 18.7739 178.1017 87 G 4.0408 8.9662 109.9045 45.8185 0.0000 173.5975 88 R 4.6612 7.6194 118.4489 55.5885 31.0588 175.7073 89 T 4.1420 7.8016 107.6432 60.5649 70.0635 172.7666 90 P 4.7604 0.0000 0.0000 61.8513 33.1667 175.4608 91 A 4.3009 8.5333 121.8411 52.4658 19.3330 176.7100 92 R 5.6573 8.5731 118.9845 54.7916 33.5727 173.9626 93 A 4.7331 8.2534 124.5716 50.4568 23.1979 174.5001 94 C 4.9619 8.4811 119.6528 57.8873 34.4521 173.4208 95 V 4.5526 8.4805 118.3971 59.4703 35.8253 173.8448 96 E 5.1328 8.5517 122.2029 55.1204 31.1511 174.4626 97 A 4.7209 9.0351 127.3719 50.5920 23.2246 175.5659 98 R 4.1139 8.6269 120.1458 56.2881 31.0618 176.5154 99 L 4.6461 8.2591 122.5730 52.7155 44.3203 176.2772 100 A 4.0596 8.7846 121.4693 54.5313 18.7562 178.1920 101 R 4.2879 6.5089 113.8965 53.1917 33.1334 174.9200 102 P 4.2759 0.0000 0.0000 65.3386 31.4976 177.4272 103 E 4.1094 7.8153 115.6999 57.7879 29.9917 176.7681 104 W 4.6647 7.7952 120.8348 56.7746 29.6349 176.1301 105 R 4.7152 9.8346 122.6204 56.7802 31.3753 176.5183 106 V 5.1014 7.5919 116.9434 60.3539 34.6323 173.6724 107 E 4.6746 9.3485 123.3570 54.7608 33.3061 173.7495 108 I 4.9474 8.4490 126.6566 59.3297 40.4084 174.5341 109 K 4.5445 9.3819 128.7515 54.8791 34.1808 174.5723 110 I 5.0433 8.4111 128.3340 59.8819 40.0356 174.6170 111 T 4.8361 8.6673 123.0328 61.8472 71.3161 173.4307 112 A 5.2215 8.8299 126.8316 50.7658 23.5616 174.6275 113 V 4.7954 8.3509 117.7465 59.8107 34.0201 175.6228 114 K 4.3413 8.8909 125.5478 55.7887 32.6595 176.8830 115 R 3.9933 8.4096 126.8234 56.5503 30.9341 176.6810 116 D 4.4809 8.5032 120.6121 54.6841 41.0322 176.5193 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 *0 H 8.44 4.60 0.00 2.95 2.93 0.00 7.20 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 8.46 4.45 0.00 2.68 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 3 I 8.25 4.43 1.74 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 1.26 0.49 0.17 0.00 0.00 4 R 8.94 4.48 0.00 1.67 1.37 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 5 Y 8.33 5.05 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.29 4.82 0.00 2.94 3.24 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 7 G 8.91 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 0.00 0.00 0.00 8 T 7.80 4.31 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 1.07 0.00 0.00 9 T 8.31 4.55 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 0.76 0.00 0.00 10 P 0.00 4.18 0.00 2.03 2.12 0.00 3.56 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 11 R 7.15 4.39 0.00 1.82 2.08 0.00 3.52 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 12 Y 7.34 4.85 0.00 3.23 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 13 S 8.35 5.09 0.00 3.90 4.07 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 14 E 8.55 4.01 0.00 1.16 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 2.30 2.10 0.00 15 A 8.03 5.16 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 16 V 9.16 4.90 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 0.72 0.00 0.00 1.03 0.00 0.00 17 G 9.49 4.71 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 0.00 0.00 0.00 18 A 9.14 4.97 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 19 N 9.74 4.26 0.00 2.84 2.89 0.00 0.00 7.21 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 20 G 8.09 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 0.00 0.00 0.00 21 L 7.49 4.92 0.00 1.89 1.42 1.04 0.46 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 22 I 8.47 5.13 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.88 0.00 0.00 23 F 9.59 5.12 0.00 2.89 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 24 L 8.71 4.95 0.00 1.55 1.57 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.60 4.22 0.00 3.84 3.62 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 26 G 8.08 4.30 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 0.00 *28 V 7.99 3.44 0.67 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 0.24 0.00 0.00 0.17 0.00 0.00 29 P 0.00 4.33 0.00 1.94 1.92 0.00 2.31 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 30 E 9.74 4.67 0.00 1.99 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 2.25 2.34 0.00 31 N 7.95 4.92 0.00 2.86 2.65 0.00 0.00 7.33 7.94 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 32 G 8.97 4.09 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 0.00 0.00 0.00 33 E 8.47 4.52 0.00 2.03 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 2.39 2.22 0.00 34 T 7.57 4.39 4.43 0.00 0.00 0.00 0.00 0.00 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 35 A 8.54 3.97 1.36 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 36 A 8.11 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.92 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 2.34 2.36 0.00 38 Q 8.30 4.22 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 39 T 8.13 3.78 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 1.22 0.00 0.00 40 A 8.08 3.91 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 41 D 8.07 4.22 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.04 3.51 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 0.88 0.00 0.00 0.81 0.00 0.00 43 L 7.92 3.46 0.00 1.36 0.25 0.54 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.83 3.99 1.38 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 45 Q 7.80 3.95 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 46 I 7.61 3.84 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.55 1.10 0.00 0.00 47 D 8.40 4.55 0.00 3.00 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 48 R 8.12 3.79 0.00 1.75 1.57 0.00 2.92 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 49 W 8.72 4.32 0.00 3.50 3.21 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 50 L 8.68 4.01 0.00 1.87 1.70 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.92 4.08 1.36 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 52 E 7.84 3.94 0.00 2.29 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 0.00 2.24 2.08 0.00 53 C 7.28 3.86 0.00 2.72 2.60 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 0.00 0.00 0.00 0.00 54 G 8.25 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 55 S 7.99 4.72 0.00 3.69 3.78 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 0.00 0.00 0.00 0.00 56 D 8.04 4.50 0.00 2.81 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 57 K 8.64 3.64 0.00 0.79 1.54 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.46 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.01 0.79 7.81 58 A 7.69 4.24 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 59 H 8.33 4.80 0.00 3.30 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.78 4.13 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 1.02 0.00 0.00 1.06 0.00 0.00 61 L 8.56 4.36 0.00 1.71 1.67 0.87 0.88 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 62 D 8.70 5.29 0.00 2.74 2.44 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 63 A 8.99 5.24 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.92 4.36 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 0.22 0.00 0.00 0.91 0.00 0.00 65 I 8.21 4.71 1.70 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 0.97 0.44 0.77 0.00 0.00 66 Y 9.06 5.23 0.00 2.86 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 67 L 8.62 5.16 0.00 1.63 1.59 1.04 0.60 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 68 R 8.75 4.14 0.00 2.05 2.02 0.00 3.24 0.00 0.00 3.02 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 69 D 7.10 5.07 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 3.90 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 0.00 0.00 0.00 72 D 8.40 4.72 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.21 4.06 0.00 2.79 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 74 A 8.23 3.98 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 75 E 7.64 4.20 0.00 2.21 1.93 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 2.32 2.29 0.00 *77 N 8.33 4.73 0.00 2.75 2.75 0.00 0.00 6.89 7.95 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 78 G 8.15 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 79 V 7.51 3.81 2.13 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 0.99 0.00 0.00 1.06 0.00 0.00 80 W 8.32 4.36 0.00 3.48 3.23 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 81 D 8.82 4.46 0.00 2.70 2.78 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 0.00 0.00 0.00 0.00 82 A 7.72 4.21 1.38 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 83 W 7.75 4.39 0.00 3.13 3.14 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 0.00 0.00 0.00 84 V 6.81 2.88 1.74 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 -0.21 0.00 0.00 0.75 0.00 0.00 85 A 7.74 4.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 4.12 1.19 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 0.00 0.00 0.00 87 G 8.97 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 88 R 7.62 4.66 0.00 1.63 1.75 0.00 3.07 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 89 T 7.80 4.14 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 1.19 0.00 0.00 90 P 0.00 4.76 0.00 2.27 2.37 0.00 3.98 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 2.49 2.27 0.00 91 A 8.53 4.30 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 5.66 0.00 1.82 1.67 0.00 2.21 0.00 0.00 3.57 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.07 0.00 93 A 8.25 4.73 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 94 C 8.48 4.96 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.48 4.55 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 0.65 0.00 0.00 1.02 0.00 0.00 96 E 8.55 5.13 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 97 A 9.04 4.72 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 98 R 8.63 4.11 0.00 1.69 1.86 0.00 3.17 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 99 L 8.26 4.65 0.00 1.87 1.95 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.78 4.06 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 0.00 101 R 6.51 4.29 0.00 0.67 1.25 0.00 2.47 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 102 P 0.00 4.28 0.00 2.11 2.11 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 103 E 7.82 4.11 0.00 2.16 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 2.17 2.31 0.00 104 W 7.80 4.66 0.00 3.52 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 0.00 105 R 9.83 4.72 0.00 1.83 2.14 0.00 3.35 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 106 V 7.59 5.10 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 0.61 0.00 0.00 0.92 0.00 0.00 107 E 9.35 4.67 0.00 2.05 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 2.29 2.22 0.00 108 I 8.45 4.95 1.84 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 1.16 0.76 0.97 0.00 0.00 109 K 9.38 4.54 0.00 1.95 1.80 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 110 I 8.41 5.04 1.94 0.00 0.00 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 1.42 0.96 0.99 0.00 0.00 111 T 8.67 4.84 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 0.62 0.00 0.00 112 A 8.83 5.22 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 0.00 113 V 8.35 4.80 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 0.81 0.00 0.00 0.96 0.00 0.00 114 K 8.89 4.34 0.00 1.74 1.75 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.66 7.81 115 R 8.41 3.99 0.00 1.66 1.77 0.00 3.09 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.36 0.00 116 D 8.50 4.48 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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.