NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3340 0.0000 0.0000 62.7883 32.1371 174.9114 3 R 4.1453 7.5006 119.9244 54.8242 32.2008 174.7982 4 S 4.8780 8.7403 113.0523 59.0229 65.0640 176.5353 5 L 4.6587 8.5530 118.5504 54.6993 48.1466 175.9318 6 K 4.2812 8.3262 114.6876 55.2512 28.2742 179.7525 7 K 4.4019 9.4207 124.1607 55.1552 32.5261 173.9902 8 G 3.2697 8.8210 125.0786 47.0346 0.0000 170.5819 9 V 3.5737 6.5818 118.4567 60.8555 33.7543 175.5259 10 F 4.8359 8.7510 127.9736 56.6101 42.3679 174.5870 11 V 4.3323 7.0096 124.0466 61.9278 33.8840 172.9607 12 D 4.1173 8.8999 128.6808 54.9770 41.4274 177.0847 13 D 4.5967 8.3919 121.7102 54.2732 39.9060 177.7292 14 H 4.3812 7.9499 117.8647 58.1515 29.0315 175.9124 15 L 4.6323 7.6689 117.4667 55.6206 42.3856 178.0644 16 L 3.6512 7.4495 121.4524 57.8496 41.7685 178.3667 17 E 4.3681 7.7148 115.3602 58.2090 30.3368 177.9895 18 K 4.2256 8.3177 120.6336 58.0580 32.2809 178.5503 19 V 3.7610 8.5494 120.7253 64.4541 31.9066 178.4583 20 L 4.0591 7.3425 121.2499 58.1602 39.9871 179.0647 21 E 4.0304 8.6428 120.1942 59.0490 29.4409 178.5694 22 L 4.3089 7.8877 117.7855 56.3137 41.5777 178.0040 23 N 5.5417 7.9979 116.5105 53.3102 38.9464 176.7212 24 A 4.1624 7.8299 122.8908 54.1101 19.1768 179.2049 25 K 4.5464 8.1299 115.0432 56.2170 34.9200 177.7885 26 G 3.9270 9.9494 112.7851 46.2734 0.0000 174.6417 27 E 5.4417 8.7203 121.7246 55.4506 33.6353 172.8154 28 K 4.2442 8.3221 123.8603 56.5862 33.9255 177.1369 29 R 4.4076 8.4209 117.3222 55.6088 33.5557 170.6387 30 L 3.7838 8.7229 129.7650 53.4393 42.0431 174.3246 31 I 4.4614 7.7925 122.0241 59.5332 40.7688 174.2354 32 K 4.5046 8.5388 127.4131 56.2600 32.6247 176.9365 33 T 4.7558 8.3614 120.0846 61.4525 73.3656 174.3701 34 W 4.6926 8.9999 121.7883 56.6415 29.8897 176.7837 35 S 4.8095 7.8315 115.7362 56.6144 61.1745 174.3336 36 R 4.2516 8.1020 119.4162 56.9757 30.1377 178.8346 37 R 4.3321 7.9685 114.4198 56.7086 30.5209 175.9848 38 S 4.8400 7.8328 115.5772 57.7616 64.5372 174.3850 39 T 4.4494 8.6378 121.2501 63.9626 69.6457 173.3606 40 I 4.4728 8.4563 123.5735 59.8544 39.5051 175.7374 41 V 4.5933 8.0421 119.2814 59.0092 35.1321 175.2310 42 P 4.1317 0.0000 0.0000 65.9147 31.1836 178.5089 43 E 4.0417 8.2204 113.6017 58.6719 29.5613 177.5814 44 M 4.2507 8.2410 119.5309 57.0549 32.7960 176.5435 45 V 3.4509 7.3236 116.9647 64.3371 32.1847 174.2992 46 G 4.2563 8.3159 115.1757 45.9333 0.0000 173.4026 47 H 4.4782 8.0502 116.5325 56.1162 30.5536 175.3277 48 T 4.7559 8.3182 114.5422 62.4664 71.0386 172.8043 49 I 4.3127 8.3258 126.8976 60.2010 39.4451 175.0387 50 A 5.5269 8.7388 129.0544 49.7979 19.8750 176.4181 51 V 4.0577 8.1582 121.0993 63.6321 33.5316 173.7948 52 Y 5.5590 8.0327 125.9525 55.1851 39.6868 174.8892 53 N 4.6356 8.2758 123.6650 52.6917 37.7565 176.1619 54 G 3.9517 7.8201 107.9652 45.7400 0.0000 174.6715 55 K 4.2653 6.5977 116.4382 57.1032 34.8785 174.8191 56 Q 4.6325 7.0382 115.0372 55.3572 34.0076 173.3801 57 H 5.3069 8.7834 117.1635 54.6517 29.9047 174.4579 58 V 4.1326 8.6621 118.3813 59.5138 33.2166 174.1570 59 P 4.5995 0.0000 0.0000 63.2149 31.2344 176.2453 60 V 4.1180 9.0459 127.8845 61.2357 32.1494 173.8014 61 Y 4.5014 8.4415 129.1218 57.1854 39.3431 174.7000 62 I 3.7708 7.7747 128.1935 60.7418 39.3530 175.0487 63 T 4.6904 7.8823 117.6708 59.1363 72.1511 174.0948 64 E 3.8294 8.8812 122.9056 59.4935 29.4829 178.9823 65 N 4.4048 8.2351 114.1475 55.4225 37.2546 174.8289 66 M 4.7119 7.5843 115.6263 55.0139 32.0293 176.3580 67 V 3.8975 7.4712 118.8473 64.1431 32.7055 176.2863 68 G 4.0468 9.0352 113.0493 46.0708 0.0000 173.9137 69 H 4.6876 7.7260 116.0823 55.1707 30.2888 173.7564 70 K 5.1878 8.9626 118.6741 54.7093 34.7229 177.3765 71 L 4.0866 8.3963 122.5401 58.3778 42.0664 180.0017 72 G 3.7824 8.3238 104.9696 48.0823 0.0000 175.3475 73 E 3.9799 8.3885 119.3438 58.1112 29.4300 178.1854 74 F 4.8254 8.2866 115.5904 56.1961 40.5240 175.8807 75 A 4.6260 7.6270 122.4194 48.6879 18.8725 173.3885 76 P 4.3531 0.0000 0.0000 63.2714 32.0491 177.5598 77 T 4.2039 8.4130 110.9085 62.3937 69.7913 174.8944 78 R 4.6606 7.7443 119.9760 54.4645 32.5928 175.0240 79 T 4.5283 8.3133 117.8624 62.2274 69.9924 173.6980 80 Y 4.7113 8.1601 126.0692 55.1996 42.3260 173.4579 81 R 3.3382 6.4820 126.3510 55.9030 30.3628 176.4771 *82 G 3.7389 7.7458 110.6712 45.9252 0.0000 171.3198 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 P 0.00 4.33 0.00 2.19 2.17 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 R 7.50 4.15 0.00 1.91 1.95 0.00 3.30 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 4 S 8.74 4.88 0.00 3.96 3.81 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 5 L 8.55 4.66 0.00 1.61 1.72 0.94 1.07 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 6 K 8.33 4.28 0.00 1.84 1.43 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.37 7.81 7 K 9.42 4.40 0.00 1.79 1.79 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.46 7.81 8 G 8.82 3.27 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 0.00 9 V 6.58 3.57 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 0.81 0.00 0.00 0.95 0.00 0.00 10 F 8.75 4.84 0.00 3.22 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 11 V 7.01 4.33 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 0.68 0.00 0.00 1.00 0.00 0.00 12 D 8.90 4.12 0.00 2.89 2.54 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 13 D 8.39 4.60 0.00 2.95 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 14 H 7.95 4.38 0.00 3.23 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.67 4.63 0.00 1.80 1.86 1.02 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.45 3.65 0.00 1.79 1.67 0.86 0.69 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 17 E 7.71 4.37 0.00 2.45 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 2.41 2.28 0.00 18 K 8.32 4.23 0.00 1.84 2.05 0.00 1.47 0.00 0.00 2.42 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.42 7.81 19 V 8.55 3.76 2.01 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 0.78 0.00 0.00 0.78 0.00 0.00 20 L 7.34 4.06 0.00 2.04 1.96 0.95 0.92 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 21 E 8.64 4.03 0.00 1.99 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 2.32 2.52 0.00 22 L 7.89 4.31 0.00 1.92 1.76 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.00 5.54 0.00 2.90 2.87 0.00 0.00 6.93 7.34 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 24 A 7.83 4.16 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 25 K 8.13 4.55 0.00 1.85 1.87 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.41 7.81 26 G 9.95 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.72 5.44 0.00 1.91 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 0.00 2.10 2.20 0.00 28 K 8.32 4.24 0.00 1.68 1.57 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.47 7.81 29 R 8.42 4.41 0.00 1.79 1.79 0.00 3.41 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 30 L 8.72 3.78 0.00 1.79 1.66 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.79 4.46 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 1.33 0.98 0.88 0.00 0.00 32 K 8.54 4.50 0.00 1.44 1.06 0.00 1.57 0.00 0.00 1.28 0.00 0.00 2.64 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.33 7.81 33 T 8.36 4.76 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 1.35 0.00 0.00 34 W 9.00 4.69 0.00 3.39 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 35 S 7.83 4.81 0.00 4.01 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 36 R 8.10 4.25 0.00 2.17 2.24 0.00 3.09 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 37 R 7.97 4.33 0.00 1.94 2.12 0.00 2.94 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 38 S 7.83 4.84 0.00 3.97 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 0.00 39 T 8.64 4.45 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 1.31 0.00 0.00 40 I 8.46 4.47 1.86 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.82 0.00 0.00 41 V 8.04 4.59 2.27 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 0.78 0.00 0.00 0.93 0.00 0.00 42 P 0.00 4.13 0.00 2.16 2.10 0.00 3.60 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 2.11 2.11 0.00 43 E 8.22 4.04 0.00 2.07 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 0.00 2.27 2.28 0.00 44 M 8.24 4.25 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 45 V 7.32 3.45 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 0.68 0.00 0.00 0.89 0.00 0.00 46 G 8.32 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 0.00 0.00 0.00 0.00 47 H 8.05 4.48 0.00 3.26 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.32 4.76 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 1.29 0.00 0.00 49 I 8.33 4.31 1.82 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 1.10 1.07 0.98 0.00 0.00 50 A 8.74 5.53 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 51 V 8.16 4.06 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 1.06 0.00 0.00 0.96 0.00 0.00 52 Y 8.03 5.56 0.00 2.47 2.64 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 0.00 0.00 0.00 53 N 8.28 4.64 0.00 2.81 2.82 0.00 0.00 6.40 7.00 0.00 0.00 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 7.82 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 0.00 0.00 0.00 55 K 6.60 4.27 0.00 1.55 1.58 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.41 7.81 56 Q 7.04 4.63 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 57 H 8.78 5.31 0.00 3.00 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.66 4.13 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 0.76 0.00 0.00 0.99 0.00 0.00 59 P 0.00 4.60 0.00 2.10 2.13 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 60 V 9.05 4.12 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 0.80 0.00 0.00 1.05 0.00 0.00 61 Y 8.44 4.50 0.00 2.95 2.93 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 0.00 0.00 0.00 62 I 7.77 3.77 1.62 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.83 0.84 0.00 0.00 63 T 7.88 4.69 4.17 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 1.01 0.00 0.00 64 E 8.88 3.83 0.00 2.03 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 2.38 2.38 0.00 65 N 8.24 4.40 0.00 2.89 2.97 0.00 0.00 5.94 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 66 M 7.58 4.71 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 67 V 7.47 3.90 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 0.96 0.00 0.00 0.99 0.00 0.00 68 G 9.04 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 0.00 0.00 0.00 69 H 7.73 4.69 0.00 3.66 3.67 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.96 5.19 0.00 2.00 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.45 7.81 71 L 8.40 4.09 0.00 1.86 1.82 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.32 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 0.00 0.00 0.00 73 E 8.39 3.98 0.00 1.42 1.51 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 2.26 2.46 0.00 74 F 8.29 4.83 0.00 2.96 3.11 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 75 A 7.63 4.63 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 76 P 0.00 4.35 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 77 T 8.41 4.20 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 1.20 0.00 0.00 78 R 7.74 4.66 0.00 1.80 1.89 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 79 T 8.31 4.53 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 1.21 0.00 0.00 80 Y 8.16 4.71 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 81 R 6.48 3.34 0.00 0.95 0.66 0.00 3.25 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 *82 G 7.75 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.