NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5714 8.3644 120.5297 53.6238 41.4833 174.8066 3 L 3.8535 8.4094 127.3219 54.5227 42.7263 173.7662 4 E 4.4174 9.3415 126.5771 55.3234 32.8865 176.9083 5 L 3.9720 8.5166 122.5461 58.1215 41.7672 180.1713 6 K 3.9524 7.9979 117.9842 59.9751 32.3885 178.9901 7 E 3.9982 7.9041 120.6411 58.2638 29.3221 178.4094 8 L 3.9017 7.8424 119.6359 58.3947 42.1686 178.6531 9 Q 4.1027 8.0460 118.0989 59.2232 28.9452 178.0069 10 S 4.2714 8.1484 115.3391 61.1695 62.8160 177.0160 11 K 3.9463 7.9187 119.8936 56.2410 32.0476 178.0316 *13 K 4.3775 8.0308 122.1097 56.7497 33.6435 178.0393 14 E 3.8372 7.8569 112.8980 57.7092 28.7497 177.5421 *16 Y 4.7652 7.8172 117.3497 57.6096 40.1161 177.0445 17 F 4.1794 8.3733 122.3243 61.0221 39.3610 176.5272 18 E 3.7968 8.2167 118.5552 59.1546 29.7019 178.5616 19 K 3.9317 7.9663 119.0822 59.6726 32.3530 178.3199 20 D 4.3975 8.2774 119.3180 57.3975 40.4823 178.8524 21 S 3.8811 7.8986 115.0780 61.6885 62.8391 176.4878 22 Q 4.1206 7.8236 119.7605 58.7895 28.5207 178.6195 23 R 4.2288 7.8319 115.7093 56.1887 30.3109 177.6709 24 G 4.0083 7.7743 104.5411 45.0675 0.0000 174.2614 25 I 3.6353 8.0856 117.9233 64.3082 37.8907 177.6292 26 Y 4.3391 7.6421 116.9001 60.9396 37.8438 177.8664 27 A 4.1117 8.1441 121.4416 55.3332 18.5919 179.6736 28 T 4.1227 8.2378 114.4875 66.8695 68.5219 176.6340 29 F 4.2538 8.7930 122.9931 61.6421 39.3031 177.2689 30 T 3.6889 8.2431 115.5070 66.3006 68.2199 176.5877 31 W 3.4908 8.0127 120.8114 59.2373 28.7934 178.0261 32 L 3.7389 7.5116 120.2283 58.3065 41.3575 179.3413 33 V 3.3196 7.3349 117.9211 65.7012 31.3685 177.3226 34 E 3.7087 8.0138 119.3215 59.5617 29.2680 178.8602 35 E 4.0133 7.9915 118.3213 59.1209 29.4191 179.2993 36 V 3.6608 8.1721 119.0782 65.9796 31.5222 178.3049 37 G 3.5582 8.3114 105.6640 47.8698 0.0000 175.5480 38 E 3.9943 8.0950 120.9699 58.9484 29.3596 179.1495 39 L 3.9327 8.3284 120.6186 57.9266 42.0632 178.6378 40 A 3.9598 8.1999 121.0324 55.3568 18.3169 179.0746 41 E 3.8218 8.2726 117.2998 59.4813 29.5373 178.9134 42 A 4.0041 8.1231 120.6173 55.1962 18.5667 179.6557 43 L 3.9615 8.1865 117.6797 57.9590 41.4803 179.7473 44 L 4.0495 8.0072 118.4027 57.5534 41.6544 179.0974 45 S 4.3172 8.1682 112.0390 58.3260 63.5962 173.6570 46 N 4.0238 7.6341 118.7222 54.2288 36.6830 174.1800 47 N 4.6769 7.6317 117.5464 51.9209 38.9522 174.8199 48 L 3.9652 8.4274 128.7673 58.1165 42.3257 178.1973 49 D 4.3740 8.1908 118.4625 57.5974 40.7316 178.8903 50 S 4.1579 8.2837 115.3700 61.5342 62.7448 176.6890 51 I 3.6791 8.0592 122.8791 64.4521 36.7397 178.1029 52 Q 3.9412 8.3826 120.6166 59.1916 28.8804 178.1019 53 E 3.9353 8.0562 119.7793 59.5508 29.6798 178.7258 54 E 4.1079 8.5427 118.7565 59.0057 29.4982 179.2270 55 L 3.9811 8.2519 119.3622 57.7192 41.6274 179.2797 56 A 4.0222 7.7875 120.5965 55.4344 18.3377 179.4807 57 D 4.3573 8.2563 117.3627 57.4069 40.9015 179.2230 58 V 3.7125 8.2617 119.1782 66.0430 31.4918 178.0715 59 I 3.7234 7.9074 119.3131 64.3963 36.9857 178.1891 60 A 3.9209 8.2044 121.5998 55.1540 18.3274 179.7975 61 W 4.0773 8.4086 117.2214 59.7777 29.1108 179.1259 62 T 4.0289 8.2256 116.1795 66.6281 67.8195 176.8009 63 V 3.6517 8.2204 120.5691 66.0271 31.4040 178.0760 64 S 4.1622 8.1270 114.9118 61.8308 62.7020 176.8632 65 I 3.7903 7.8977 121.7473 64.3247 36.8660 178.2008 66 A 4.0566 8.1788 121.6021 55.4343 18.1769 179.5083 67 N 4.3121 8.5579 115.0564 56.5168 38.4295 177.6940 68 L 4.3745 8.2406 119.5217 57.4831 41.8147 178.4919 69 E 4.4660 8.3411 115.7643 55.3697 29.8612 176.3768 70 G 3.8801 7.7981 106.6295 46.7006 0.0000 173.5590 71 I 4.3477 7.6788 120.0877 58.8793 39.2613 175.8267 72 D 4.6331 8.5657 124.8153 53.8037 41.8610 176.9419 73 I 3.7944 9.1014 123.0654 63.8516 37.6245 177.8327 74 E 3.9056 8.1972 120.6089 59.4125 29.5039 178.6667 75 E 4.0029 8.9723 118.6226 58.9888 29.3203 179.1463 76 A 4.0101 8.1072 121.0957 55.1847 18.3988 179.6759 77 L 4.1669 8.1954 117.5554 58.1289 41.5363 180.0518 78 K 4.0936 8.0975 117.1328 59.1116 31.9829 179.0970 79 K 4.0699 8.1804 119.7820 59.0251 32.1889 178.1621 80 K 4.0170 7.7038 118.6324 56.7987 32.7285 176.0284 81 Y 4.6717 7.4834 115.1472 55.6874 40.6796 176.3405 82 K 4.3353 8.5367 122.0538 55.8790 30.9179 177.4078 83 L 4.3903 8.0601 122.4616 54.7418 42.5898 176.8165 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 D 8.36 4.57 0.00 2.68 2.71 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 3 L 8.41 3.85 0.00 1.66 1.57 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.34 4.42 0.00 2.04 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 2.36 2.54 0.00 5 L 8.52 3.97 0.00 1.68 1.74 0.93 1.00 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 6 K 8.00 3.95 0.00 1.96 2.06 0.00 1.49 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 7 E 7.90 4.00 0.00 2.26 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 2.40 1.79 0.00 8 L 7.84 3.90 0.00 1.60 1.91 0.92 0.99 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 9 Q 8.05 4.10 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 10 S 8.15 4.27 0.00 4.04 4.06 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 0.00 0.00 0.00 11 K 7.92 3.95 0.00 1.75 1.81 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.52 7.81 *13 K 8.03 4.38 0.00 1.85 1.86 0.00 1.39 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.13 7.81 14 E 7.86 3.84 0.00 2.08 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 2.28 2.44 0.00 *16 Y 7.82 4.77 0.00 2.94 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 17 F 8.37 4.18 0.00 3.18 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 18 E 8.22 3.80 0.00 2.21 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 2.38 1.94 0.00 19 K 7.97 3.93 0.00 1.97 1.91 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.10 7.81 20 D 8.28 4.40 0.00 2.74 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 21 S 7.90 3.88 0.00 3.64 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.82 4.12 0.00 2.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 23 R 7.83 4.23 0.00 2.12 2.14 0.00 3.43 0.00 0.00 3.51 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 24 G 7.77 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 25 I 8.09 3.64 1.70 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.19 0.00 0.00 26 Y 7.64 4.34 0.00 3.13 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 27 A 8.14 4.11 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 28 T 8.24 4.12 4.57 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 1.55 0.00 0.00 29 F 8.79 4.25 0.00 3.24 3.37 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 30 T 8.24 3.69 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 1.01 0.00 0.00 31 W 8.01 3.49 0.00 2.60 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 0.00 0.00 0.00 0.00 32 L 7.51 3.74 0.00 1.82 1.58 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.33 3.32 1.90 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 0.88 0.00 0.00 0.31 0.00 0.00 34 E 8.01 3.71 0.00 1.73 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 35 E 7.99 4.01 0.00 2.13 2.04 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 2.39 2.57 0.00 36 V 8.17 3.66 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 1.07 0.00 0.00 0.93 0.00 0.00 37 G 8.31 3.56 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 0.00 0.00 0.00 38 E 8.09 3.99 0.00 2.18 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 2.52 2.48 0.00 39 L 8.33 3.93 0.00 1.75 1.86 0.93 1.08 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 40 A 8.20 3.96 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 41 E 8.27 3.82 0.00 2.04 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 2.31 2.33 0.00 42 A 8.12 4.00 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 43 L 8.19 3.96 0.00 1.83 1.73 0.92 0.84 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 44 L 8.01 4.05 0.00 1.74 1.73 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.17 4.32 0.00 4.03 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 46 N 7.63 4.02 0.00 2.89 2.91 0.00 0.00 6.81 7.52 0.00 0.00 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 N 7.63 4.68 0.00 2.67 2.72 0.00 0.00 6.90 6.52 0.00 0.00 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 L 8.43 3.97 0.00 1.80 1.65 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.19 4.37 0.00 2.96 2.71 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 50 S 8.28 4.16 0.00 4.03 3.92 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 0.00 0.00 0.00 51 I 8.06 3.68 2.01 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 0.79 0.92 0.00 0.00 52 Q 8.38 3.94 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 53 E 8.06 3.94 0.00 2.13 2.08 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 2.34 2.38 0.00 54 E 8.54 4.11 0.00 2.03 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 2.63 2.61 0.00 55 L 8.25 3.98 0.00 1.84 1.73 0.95 0.93 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 56 A 7.79 4.02 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 57 D 8.26 4.36 0.00 2.96 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 58 V 8.26 3.71 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 1.08 0.00 0.00 0.98 0.00 0.00 59 I 7.91 3.72 2.03 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 0.83 0.92 0.00 0.00 60 A 8.20 3.92 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 61 W 8.41 4.08 0.00 3.43 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 62 T 8.23 4.03 4.45 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 1.29 0.00 0.00 63 V 8.22 3.65 2.24 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 1.13 0.00 0.00 1.02 0.00 0.00 64 S 8.13 4.16 0.00 4.12 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 65 I 7.90 3.79 2.16 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.98 1.01 0.00 0.00 66 A 8.18 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.31 0.00 3.00 2.96 0.00 0.00 7.06 7.60 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 68 L 8.24 4.37 0.00 1.83 1.79 0.96 0.96 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 69 E 8.34 4.47 0.00 2.05 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 2.44 2.47 0.00 70 G 7.80 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 71 I 7.68 4.35 1.90 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 1.20 0.70 0.94 0.00 0.00 72 D 8.57 4.63 0.00 2.70 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 73 I 9.10 3.79 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.43 0.98 0.00 0.00 74 E 8.20 3.91 0.00 2.06 2.21 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 2.39 2.42 0.00 75 E 8.97 4.00 0.00 2.00 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 2.52 2.47 0.00 76 A 8.11 4.01 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 77 L 8.20 4.17 0.00 1.92 1.81 0.95 1.07 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 78 K 8.10 4.09 0.00 1.76 1.90 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.63 7.81 79 K 8.18 4.07 0.00 1.85 2.05 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 80 K 7.70 4.02 0.00 1.62 1.72 0.00 1.43 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.07 0.30 7.81 81 Y 7.48 4.67 0.00 3.14 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 82 K 8.54 4.34 0.00 2.06 1.83 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.44 1.03 7.81 83 L 8.06 4.39 0.00 1.62 1.52 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.