NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4180 8.3349 115.4117 58.6951 64.4701 173.2796 -1 N 4.6008 8.3300 116.7717 53.0553 38.6869 175.6394 0 A 4.0102 8.6154 125.6171 55.3763 19.1937 180.3443 1 T 3.7975 7.8366 113.8017 67.0032 68.6284 176.8409 2 K 4.0529 7.9686 119.6897 59.3537 32.0128 179.1839 3 T 3.8702 8.0106 116.3269 67.0527 68.4235 176.5239 4 I 3.7599 7.9554 121.3366 64.3910 37.1339 177.7320 5 H 4.0755 8.2023 119.1814 59.6715 29.5677 176.9696 6 N 4.3084 8.6995 118.1649 56.2179 38.2528 177.3421 7 A 3.9956 7.8545 122.2475 55.1553 18.4884 179.9413 8 R 3.8712 8.1821 116.7562 59.3281 30.1014 178.6879 9 Y 3.8108 8.3280 119.8692 60.6934 38.7505 177.8100 10 Q 3.9170 8.4652 120.5454 59.0630 29.0296 178.0295 11 A 3.9154 8.3253 122.2547 55.0881 18.3475 179.3596 12 L 3.7904 7.7150 118.7640 58.1775 42.0312 179.1780 13 L 3.7664 7.6013 118.8969 57.7691 41.4604 179.1842 14 D 4.3191 8.2215 118.9497 57.4541 40.7873 178.8877 15 L 3.9945 8.1475 119.6295 57.8304 41.5191 179.6375 16 L 4.1172 8.0915 119.1204 57.3506 41.4751 179.2955 17 L 3.9583 8.1887 120.6974 58.0504 42.0965 178.2957 18 E 3.8898 8.3513 119.2323 59.5006 29.4044 178.8684 19 A 3.9864 7.9890 120.4263 55.0502 18.2589 179.4571 20 R 3.8064 8.2159 117.4355 59.7155 30.1596 178.5818 21 S 4.1446 8.3269 112.7220 61.2349 62.1294 175.7441 22 A 3.9528 7.8924 122.0674 55.3388 18.3154 179.2305 23 A 4.1637 8.0942 116.3902 52.4833 18.4866 177.7202 24 G 3.8609 7.9142 105.4293 46.3709 0.0000 173.6587 25 I 4.9302 7.3992 110.2199 57.5971 39.9506 176.0337 26 T 4.2840 8.2905 113.5782 60.9187 71.0959 175.7332 27 Q 3.9643 8.5225 119.5377 59.2307 28.7271 179.0984 28 K 3.8708 8.1594 118.6883 59.8915 32.0733 178.9063 29 E 3.9406 8.1412 118.3539 59.2448 29.2922 179.2484 30 L 3.7801 8.1270 120.2381 57.9317 41.9377 178.4318 31 A 3.9561 8.4687 120.0611 55.4070 18.5584 178.8631 32 A 4.0682 8.3489 119.1674 55.6699 18.1864 179.9357 33 R 3.8267 7.6332 114.8320 59.5164 30.2656 178.9270 34 L 4.1100 8.0358 116.9725 54.7004 42.1795 176.9147 35 G 3.8552 7.9392 106.7497 46.2779 0.0000 173.4437 36 R 4.6252 7.6039 114.9321 53.1552 34.8206 173.7718 37 P 4.3826 0.0000 0.0000 62.8102 32.1401 177.4996 38 Q 4.0660 8.9003 122.1669 59.5463 28.7121 179.0829 39 S 4.5799 8.1877 116.0835 60.7076 62.7493 176.2132 40 F 4.0836 8.3459 124.2387 61.1689 39.0858 177.3196 41 V 3.7998 7.9542 117.5492 66.0678 31.6372 177.9229 42 S 4.1343 8.2360 114.0531 61.5921 62.8443 176.6155 43 K 3.9870 8.3587 122.5795 59.1286 31.7545 179.5938 44 T 3.8265 7.6728 116.0452 66.8036 68.2154 176.7809 45 E 4.0470 8.1998 118.7734 58.6821 29.5110 178.0918 46 N 4.6485 8.1429 114.4332 51.9335 38.9927 174.5453 47 A 3.8613 7.6560 122.0387 53.6462 16.6787 178.0161 48 E 4.5727 8.6183 117.5804 57.5121 30.7175 176.6494 49 R 4.5564 7.4004 118.5327 54.6339 33.1834 174.1209 50 R 4.2054 8.4449 124.2633 55.4405 30.9816 175.8528 51 L 4.6025 8.8727 124.1936 54.0005 42.4980 177.3075 52 D 4.8222 9.0284 124.7111 52.2438 42.0927 177.9143 53 V 3.7520 8.1900 119.5335 64.7580 31.4247 178.1573 54 I 3.8955 7.8221 119.2964 64.5122 37.3121 177.6791 55 E 4.3049 9.3076 119.6003 59.2568 29.1348 179.6530 56 F 4.4610 8.4822 118.2372 58.9449 39.1318 176.4243 56 D 4.4810 8.5222 118.3372 55.4449 40.6318 176.9243 59 F 3.9555 8.5410 120.8324 61.5092 39.1630 176.9584 60 C 4.0616 7.9833 115.5843 63.0413 27.9932 175.9845 61 R 3.9870 8.0662 119.1567 59.4145 29.3576 179.1534 62 G 3.5756 7.9583 104.4371 46.7554 0.0000 174.5212 63 I 4.3155 7.0949 111.4116 59.9659 38.1279 176.2554 64 G 3.8443 7.5905 108.1076 46.5181 0.0000 173.3845 65 T 4.3385 7.6508 115.7459 61.7504 69.9256 175.0029 66 D 4.5771 8.5240 125.1082 53.1546 41.8129 175.1532 67 P 4.2400 0.0000 0.0000 66.2048 31.3286 177.9295 68 Y 4.0395 8.3015 115.8858 60.8462 37.7888 178.4190 69 A 4.1427 8.3007 121.3075 54.8376 18.6465 179.3386 70 L 3.9792 8.2018 119.1143 58.3088 42.1603 179.1238 71 L 3.9770 8.2614 119.0261 57.9598 41.6660 179.6907 72 S 4.1558 8.0274 114.6776 61.3845 62.5190 176.7207 73 K 3.9546 7.8473 121.3880 59.2878 32.0564 178.3524 74 L 4.0721 7.7292 119.3333 58.3789 42.1502 178.4158 75 E 4.0616 8.3100 117.1957 58.9690 30.3712 179.0123 76 A 4.2660 7.5863 121.3310 51.0400 15.8945 176.5515 *78 T 4.0802 6.9222 112.4490 60.4874 70.5851 172.7924 79 P 4.4024 0.0000 0.0000 63.1029 31.2961 176.5453 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 S 8.33 4.42 0.00 3.99 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 -1 N 8.33 4.60 0.00 2.84 2.84 0.00 0.00 6.73 6.20 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 A 8.62 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 T 7.84 3.80 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 1.20 0.00 0.00 2 K 7.97 4.05 0.00 1.78 1.84 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 3 T 8.01 3.87 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 1.21 0.00 0.00 4 I 7.96 3.76 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.91 0.00 0.00 5 H 8.20 4.08 0.00 3.20 3.53 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.70 4.31 0.00 2.88 2.86 0.00 0.00 6.98 7.29 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 7 A 7.85 4.00 1.34 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 0.00 0.00 0.00 8 R 8.18 3.87 0.00 1.97 1.95 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 9 Y 8.33 3.81 0.00 2.82 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 10 Q 8.47 3.92 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 11 A 8.33 3.92 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 12 L 7.72 3.79 0.00 1.69 1.49 0.89 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.60 3.77 0.00 1.78 1.57 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.22 4.32 0.00 2.90 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 15 L 8.15 3.99 0.00 1.87 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.09 4.12 0.00 1.77 1.76 0.76 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.19 3.96 0.00 1.83 1.81 0.95 0.96 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 18 E 8.35 3.89 0.00 2.20 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 2.32 2.36 0.00 19 A 7.99 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 3.81 0.00 1.95 2.13 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 21 S 8.33 4.14 0.00 3.93 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 22 A 7.89 3.95 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 23 A 8.09 4.16 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 24 G 7.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.40 4.93 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 0.95 1.82 0.97 0.00 0.00 26 T 8.29 4.28 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 27 Q 8.52 3.96 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 28 K 8.16 3.87 0.00 1.79 1.89 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.57 7.81 29 E 8.14 3.94 0.00 2.23 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 2.31 2.30 0.00 30 L 8.13 3.78 0.00 1.60 1.70 0.58 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.47 3.96 1.50 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 0.00 0.00 32 A 8.35 4.07 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 33 R 7.63 3.83 0.00 1.91 1.93 0.00 3.17 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 34 L 8.04 4.11 0.00 1.59 1.51 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.63 0.00 1.49 1.56 0.00 2.23 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.58 0.00 37 P 0.00 4.38 0.00 2.26 2.02 0.00 3.63 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 2.17 2.11 0.00 38 Q 8.90 4.07 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 39 S 8.19 4.58 0.00 4.13 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 0.00 40 F 8.35 4.08 0.00 3.24 3.34 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 0.00 41 V 7.95 3.80 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 1.23 0.00 0.00 1.09 0.00 0.00 42 S 8.24 4.13 0.00 4.11 4.33 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 43 K 8.36 3.99 0.00 1.79 1.84 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.59 7.81 44 T 7.67 3.83 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 0.79 0.00 0.00 45 E 8.20 4.05 0.00 1.95 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 2.39 2.60 0.00 46 N 8.14 4.65 0.00 2.72 2.84 0.00 0.00 6.99 6.95 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 47 A 7.66 3.86 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.57 0.00 1.87 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 2.33 2.35 0.00 49 R 7.40 4.56 0.00 1.65 1.61 0.00 3.22 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 50 R 8.44 4.21 0.00 1.77 1.74 0.00 2.92 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.50 0.00 51 L 8.87 4.60 0.00 1.79 1.72 0.63 1.34 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 52 D 9.03 4.82 0.00 3.00 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 53 V 8.19 3.75 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 0.84 0.00 0.00 0.95 0.00 0.00 54 I 7.82 3.90 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.84 0.95 0.00 0.00 55 E 9.31 4.30 0.00 2.30 2.31 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 2.50 2.66 0.00 56 F 8.48 4.46 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 56 D 8.52 4.48 0.00 2.71 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 59 F 8.54 3.96 0.00 3.39 2.91 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 60 C 7.98 4.06 0.00 2.74 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 3.99 0.00 1.98 1.97 0.00 3.17 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 62 G 7.96 3.58 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 0.00 0.00 0.00 63 I 7.09 4.32 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.72 0.78 0.00 0.00 64 G 7.59 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 65 T 7.65 4.34 4.20 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 1.21 0.00 0.00 66 D 8.52 4.58 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.19 2.01 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 68 Y 8.30 4.04 0.00 3.26 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 69 A 8.30 4.14 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.98 0.00 1.96 2.04 0.98 0.62 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 71 L 8.26 3.98 0.00 1.77 1.67 0.83 0.35 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 72 S 8.03 4.16 0.00 4.07 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 73 K 7.85 3.95 0.00 1.80 2.06 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 74 L 7.73 4.07 0.00 1.74 1.78 0.87 0.67 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 75 E 8.31 4.06 0.00 2.08 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 0.00 2.33 2.31 0.00 76 A 7.59 4.27 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 *78 T 6.92 4.08 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 79 P 0.00 4.40 0.00 2.06 2.02 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.