NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9249 8.4545 109.7364 44.0954 0.0000 173.3799 4 L 4.2267 6.6540 117.9709 52.8888 45.0068 174.8746 5 K 4.6875 8.3666 127.1645 54.8435 35.9140 171.9739 6 D 4.1820 8.8470 132.1743 51.1281 43.5560 175.6576 7 V 3.8461 9.1368 119.3420 61.1737 30.9936 174.9515 8 V 4.1166 7.5641 121.4163 64.8038 34.6266 180.5159 9 T 5.1132 8.1049 103.0984 63.8182 69.9563 171.2481 10 R 4.7061 7.8827 135.0000 56.2290 31.8345 177.2676 11 E 5.4140 8.4860 119.6188 58.9005 32.8370 174.4284 *12 Y 4.5466 8.3417 118.6373 57.7107 40.5117 174.9522 13 T 4.8275 8.2631 111.9319 62.0427 70.1867 170.5970 14 I 2.8651 7.9708 121.9128 60.2514 36.0620 171.6542 15 N 4.1661 10.5432 124.0475 54.5623 35.5882 182.7000 16 L 3.1246 7.4693 119.7571 57.4083 42.2245 179.8448 *17 H 4.1759 8.5299 120.1276 56.6939 28.2059 178.3041 18 K 4.6602 7.4152 122.1595 55.8664 32.4988 183.6236 19 R 4.0820 8.4417 122.5151 58.5624 29.1614 180.5692 20 L 5.0553 8.5585 121.3875 56.4162 41.7237 181.0560 *21 H 4.3152 8.2500 114.7035 57.2247 28.3029 180.3270 22 G 4.1599 8.9457 109.7479 45.1659 0.0000 173.0416 23 V 3.3397 8.1742 114.8786 62.3051 27.8972 173.5459 24 S 4.6122 9.1684 120.6616 58.3022 62.6542 172.5081 *25 F 4.5302 8.6166 131.8548 54.3952 34.8660 175.9834 26 K 4.2025 8.8703 126.5643 55.8504 37.7578 178.3979 27 K 3.8142 8.9384 113.9092 58.0598 28.3349 171.5259 28 R 3.9406 7.0557 119.4520 53.9133 30.1345 183.9560 29 A 3.4478 7.7674 118.1830 53.2815 21.3446 177.7786 30 P 4.3660 0.0000 0.0000 67.6497 30.3077 181.2819 31 R 4.2609 9.4061 118.5168 59.6169 29.2523 178.9373 32 A 4.7639 8.7999 122.9453 55.6631 20.8014 179.0629 33 V 3.5996 7.7275 119.3839 67.0709 31.3075 180.6582 34 K 4.1270 8.1392 126.0408 60.6149 31.8502 180.8804 35 E 4.3694 7.6791 122.2144 62.0895 29.4573 181.7725 36 I 3.9922 8.6142 123.6138 65.3688 35.4425 180.7538 37 K 4.2014 7.9820 127.5045 60.3776 31.1988 181.8954 38 K 4.0976 8.2051 124.0055 58.2576 31.6849 181.5457 *39 F 4.2580 7.7209 113.1334 57.3923 36.8741 177.4683 40 A 4.4164 7.2927 125.6962 54.9501 20.2280 179.6606 41 K 4.0031 8.1580 117.5361 58.0546 31.6278 181.2890 42 L 3.9989 9.1804 120.6079 58.5701 41.4413 183.1710 *43 H 4.5035 8.2919 121.0819 56.9803 29.6600 179.8792 44 M 3.4051 7.5598 108.6606 56.9124 27.5797 170.7295 45 G 4.2581 8.1629 111.4305 46.4696 0.0000 171.4852 46 T 4.0487 9.1352 124.4535 61.0573 66.8156 174.6913 47 D 5.5104 6.0500 129.6535 56.1704 41.1959 180.2885 48 D 4.8822 7.2561 120.5733 53.1001 41.7250 178.6635 49 V 4.3662 8.5697 112.3230 63.5774 39.1284 171.4723 50 R 3.5842 8.2206 116.0701 57.0502 25.5473 177.7309 51 L 4.1349 7.9805 122.4541 53.1057 41.6904 176.1402 52 A 4.2110 8.5006 126.7504 52.3009 18.9705 176.7404 53 P 4.4594 0.0000 0.0000 64.1790 31.1507 177.8091 54 E 4.5590 8.0358 113.2378 57.5260 30.9978 183.4127 55 L 4.2123 8.0261 120.3326 58.7754 41.4422 185.0000 56 N 4.4557 8.5212 122.0706 58.4398 37.3964 179.7255 57 Q 4.1735 7.6036 121.8084 57.6204 28.3075 180.7660 58 A 4.3220 8.0807 120.0138 53.7876 19.6221 182.6945 59 I 2.5863 9.2403 117.1968 59.7971 39.9515 180.0512 *60 W 3.9383 7.3970 123.4842 58.3003 27.6651 179.6000 61 K 3.9286 9.5376 116.7081 56.5141 30.5512 179.0023 62 R 4.5898 8.5710 115.7796 55.8659 31.3856 177.3774 63 G 4.1480 8.2143 117.3530 45.4248 0.0000 175.4838 64 V 3.7553 8.4254 119.1875 63.0026 31.6732 178.9428 65 K 4.6718 7.6621 120.5285 54.8189 32.7922 181.4958 66 G 4.4710 8.4828 108.6154 45.3102 0.0000 176.8213 67 V 4.0662 7.8057 118.7777 60.1014 31.8854 178.1940 68 E 3.9326 8.6733 124.1531 55.0271 30.2401 173.9366 *69 Y 3.9592 8.3668 121.3648 59.7740 37.3031 179.5506 70 R 4.6652 7.5362 120.8980 55.6235 31.9468 177.9947 71 L 4.5729 8.4670 112.4903 55.7889 46.8999 171.9899 72 R 4.3742 8.1241 115.5515 56.6073 25.8419 179.3179 73 L 4.9111 7.9077 127.4052 53.2566 44.9998 174.5033 74 R 4.9448 8.5286 119.5218 57.0060 32.2809 175.9424 75 I 4.3698 7.8584 125.7725 59.4828 38.5011 173.3213 76 S 4.5787 8.5491 116.5649 59.6773 64.4427 176.2833 77 R 4.1202 8.8780 129.9520 56.3016 30.1825 174.8872 78 K 4.0744 8.6441 121.9796 56.0358 32.6548 180.6637 79 R 4.3241 8.4337 123.8986 55.9382 28.7679 173.3632 80 N 4.5938 8.2594 111.5183 57.2965 38.3739 173.2951 81 E 4.5597 8.0153 114.7895 56.8394 30.1530 180.5075 82 E 4.0630 8.2559 119.7669 58.5605 29.0942 180.4327 83 E 4.9089 8.5252 117.0437 57.9712 37.4300 178.3023 84 D 4.4795 7.9363 113.1359 53.7758 42.7688 177.9619 85 A 4.5391 8.9750 131.3570 51.6676 18.0394 180.9541 86 K 5.0050 7.9552 117.1610 53.5360 34.4767 179.9034 87 N 4.1927 9.7504 120.1791 53.2968 34.6485 175.3226 88 P 4.6604 0.0000 0.0000 61.7788 31.8619 173.4113 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 3 G 8.45 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 0.00 0.00 0.00 4 L 6.65 4.23 0.00 1.70 1.38 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.37 4.69 0.00 1.80 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.11 0.76 7.81 6 D 8.85 4.18 0.00 2.65 2.30 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 7 V 9.14 3.85 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 0.81 0.00 0.00 0.93 0.00 0.00 8 V 7.56 4.12 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 0.65 0.00 0.00 0.93 0.00 0.00 9 T 8.10 5.11 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 10 R 7.88 4.71 0.00 1.49 1.54 0.00 3.32 0.00 0.00 3.37 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.19 0.00 11 E 8.49 5.41 0.00 2.01 1.75 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 1.98 1.63 0.00 *12 Y 8.34 4.55 0.00 2.13 2.16 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 0.00 13 T 8.26 4.83 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 14 I 7.97 2.87 1.87 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 1.27 1.08 0.91 0.00 0.00 15 N 10.54 4.17 0.00 2.74 3.03 0.00 0.00 6.85 6.67 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 16 L 7.47 3.12 0.00 1.64 2.01 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 *17 H 8.53 4.18 0.00 2.88 3.03 0.00 7.15 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.42 4.66 0.00 1.60 1.69 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.23 7.81 19 R 8.44 4.08 0.00 1.68 1.72 0.00 3.25 0.00 0.00 3.20 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 20 L 8.56 5.06 0.00 1.65 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.25 4.32 0.00 2.92 3.02 0.00 7.11 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.95 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 0.00 0.00 0.00 0.00 23 V 8.17 3.34 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 0.71 0.00 0.00 0.93 0.00 0.00 24 S 9.17 4.61 0.00 3.61 3.71 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 *25 F 8.62 4.53 0.00 2.38 2.19 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 26 K 8.87 4.20 0.00 1.73 1.49 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.10 0.81 7.81 27 K 8.94 3.81 0.00 1.87 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 0.98 7.81 28 R 7.06 3.94 0.00 1.72 1.76 0.00 3.31 0.00 0.00 3.34 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.00 29 A 7.77 3.45 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 30 P 0.00 4.37 0.00 2.08 2.10 0.00 3.75 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 2.03 1.68 0.00 31 R 9.41 4.26 0.00 1.81 1.97 0.00 3.18 0.00 0.00 3.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 32 A 8.80 4.76 1.30 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 33 V 7.73 3.60 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 0.76 0.00 0.00 0.93 0.00 0.00 34 K 8.14 4.13 0.00 1.84 1.80 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.11 7.81 35 E 7.68 4.37 0.00 2.16 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 2.25 2.22 0.00 36 I 8.61 3.99 1.87 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 1.38 0.53 0.91 0.00 0.00 37 K 7.98 4.20 0.00 1.78 1.89 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.37 7.81 38 K 8.21 4.10 0.00 1.69 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.26 7.81 *39 F 7.72 4.26 0.00 2.25 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 0.00 0.00 0.00 40 A 7.29 4.42 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 41 K 8.16 4.00 0.00 1.69 1.86 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.03 7.81 42 L 9.18 4.00 0.00 1.66 1.55 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *43 H 8.29 4.50 0.00 2.92 2.94 0.00 7.19 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 7.56 3.41 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.16 0.00 45 G 8.16 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 46 T 9.14 4.05 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 47 D 6.05 5.51 0.00 2.76 2.65 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 48 D 7.26 4.88 0.00 2.59 2.61 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 0.00 0.00 0.00 0.00 49 V 8.57 4.37 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 0.80 0.00 0.00 0.93 0.00 0.00 50 R 8.22 3.58 0.00 1.90 1.79 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 51 L 7.98 4.13 0.00 1.66 1.49 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.50 4.21 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 53 P 0.00 4.46 0.00 2.01 2.05 0.00 3.72 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 2.02 1.58 0.00 54 E 8.04 4.56 0.00 1.97 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 2.15 1.85 0.00 55 L 8.03 4.21 0.00 1.57 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.52 4.46 0.00 2.72 2.85 0.00 0.00 6.96 7.51 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 57 Q 7.60 4.17 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 58 A 8.08 4.32 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 I 9.24 2.59 1.87 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 1.27 0.66 0.91 0.00 0.00 *60 W 7.40 3.94 0.00 2.45 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 0.00 0.00 0.00 61 K 9.54 3.93 0.00 1.86 1.73 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 0.98 7.81 62 R 8.57 4.59 0.00 1.65 1.82 0.00 3.38 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 63 G 8.21 4.15 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 0.00 0.00 0.00 64 V 8.43 3.76 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 0.74 0.00 0.00 0.93 0.00 0.00 65 K 7.66 4.67 0.00 1.72 1.63 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.26 1.00 7.81 66 G 8.48 4.47 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 0.00 67 V 7.81 4.07 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 0.75 0.00 0.00 0.93 0.00 0.00 68 E 8.67 3.93 0.00 1.98 1.79 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 2.24 1.93 0.00 *69 Y 8.37 3.96 0.00 2.23 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 0.00 0.00 0.00 0.00 70 R 7.54 4.67 0.00 1.82 1.77 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 71 L 8.47 4.57 0.00 1.60 1.52 0.92 0.78 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 72 R 8.12 4.37 0.00 1.94 1.83 0.00 3.09 0.00 0.00 3.92 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.13 0.00 73 L 7.91 4.91 0.00 1.30 1.55 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.53 4.94 0.00 1.55 1.70 0.00 3.22 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 75 I 7.86 4.37 1.87 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 1.09 0.60 0.91 0.00 0.00 76 S 8.55 4.58 0.00 3.32 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 77 R 8.88 4.12 0.00 1.58 1.79 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 78 K 8.64 4.07 0.00 1.77 1.64 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.01 7.81 79 R 8.43 4.32 0.00 1.82 1.74 0.00 3.23 0.00 0.00 3.26 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 80 N 8.26 4.59 0.00 2.64 2.72 0.00 0.00 6.76 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 81 E 8.02 4.56 0.00 1.98 1.85 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 2.23 1.87 0.00 82 E 8.26 4.06 0.00 1.98 1.66 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 2.26 2.12 0.00 83 E 8.53 4.91 0.00 1.94 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 2.14 1.86 0.00 84 D 7.94 4.48 0.00 2.54 2.48 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 85 A 8.98 4.54 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 86 K 7.96 5.01 0.00 1.72 1.25 0.00 1.86 0.00 0.00 2.40 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 0.95 7.81 87 N 9.75 4.19 0.00 2.89 2.74 0.00 0.00 6.20 7.75 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 88 P 0.00 4.66 0.00 2.02 1.75 0.00 3.74 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 1.83 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.