NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4713 8.1693 120.6292 54.8686 42.5375 175.3271 2 K 4.2939 8.1216 122.2435 55.5535 36.2380 174.2355 3 G 3.7958 9.3603 107.4105 46.3429 0.0000 173.9630 4 L 4.4933 8.4061 121.7563 55.3450 42.2199 177.8465 5 R 5.1087 9.2993 123.4585 56.4636 32.9230 176.5475 6 R 5.1934 7.7374 117.7459 54.7137 33.9371 173.8889 7 L 5.2509 9.1085 125.1115 52.9329 46.0959 175.7924 8 V 4.7151 8.7515 122.5738 61.3818 33.8229 173.8525 9 L 5.0528 9.1738 129.0604 53.2567 44.1508 175.7160 10 D 5.0125 9.0848 124.1873 53.1928 41.9847 174.8270 11 V 4.7789 9.0602 126.7842 60.8176 34.7072 173.7561 12 L 5.1531 8.2191 129.3869 53.3693 44.1540 175.1308 13 K 4.9536 8.5705 123.6467 54.9663 36.2847 173.8917 14 P 4.9805 0.0000 0.0000 62.3064 32.1038 177.4346 15 H 4.4085 8.6667 116.4552 57.9534 28.7796 175.7315 16 E 4.7087 7.4764 119.9849 53.3998 31.6114 173.7675 17 P 4.6949 0.0000 0.0000 61.4182 32.9737 175.7828 18 K 4.2122 8.4029 118.1050 56.4837 32.6432 178.4780 19 T 3.8912 8.4589 111.3403 65.1158 68.5258 176.5699 20 I 3.7047 7.8471 122.2404 64.2568 36.9949 178.2659 21 V 3.6973 8.0064 119.2672 65.6369 31.2421 178.2256 22 F 3.9287 8.3776 117.0071 60.5237 38.8790 177.2095 23 A 4.0511 8.3904 120.5943 55.1860 17.9077 179.2272 24 L 3.8724 7.6826 117.6307 58.2142 42.2779 178.6030 25 K 3.9803 8.4249 119.7177 59.5793 32.0420 178.8744 26 L 4.0167 8.3052 119.6963 57.7593 41.4468 179.4777 27 S 4.2004 8.2947 112.7734 60.6113 62.8559 175.2408 28 E 4.3778 7.5207 120.3930 55.6434 29.8603 176.3108 29 L 4.1399 7.2218 119.6610 54.0404 41.6663 175.5664 30 E 3.6795 8.1115 118.3460 60.5592 29.9736 176.3562 31 N 4.8452 7.8947 113.6943 54.0232 39.9827 174.2955 32 V 4.4670 7.7357 118.7848 61.5519 32.8794 175.0449 33 D 4.5555 9.4932 129.1045 57.2126 42.1273 176.4715 34 G 4.3700 7.5906 102.4282 45.6913 0.0000 172.6441 35 V 5.0114 8.3223 119.4871 61.0382 34.8059 173.7221 36 N 4.9231 9.2945 126.5297 52.0437 41.3018 172.8722 37 I 4.7883 8.4362 127.6264 60.0040 39.1087 174.5384 38 H 4.7920 9.0377 128.1720 54.2121 31.8576 173.3317 39 L 4.3612 8.2190 128.2697 55.0754 41.7960 176.3798 40 S 4.3869 8.7580 123.7049 61.0802 63.4906 174.3678 41 E 4.7286 7.6115 117.3219 55.5199 32.9532 173.9875 42 I 4.7441 8.2976 124.1985 59.7270 40.0536 175.0295 43 D 5.0709 8.3738 127.3949 53.0334 43.0306 176.1625 44 Q 4.1638 8.6429 117.3678 59.1458 28.8697 177.4757 45 A 4.2072 7.7111 116.6517 52.9044 21.7290 174.7884 46 T 4.9002 7.5253 107.2567 61.3103 72.9125 172.1244 47 E 5.0970 9.2375 119.5142 54.8388 34.5680 174.5467 48 N 5.3953 9.2917 120.8042 51.5299 41.0727 173.9026 49 I 4.9284 9.2249 117.9386 58.8328 41.5395 174.6668 50 K 4.8623 9.0858 125.6823 55.1958 33.7948 174.7139 51 I 4.7556 8.8338 130.0466 60.1412 39.2616 175.0589 52 T 5.0610 8.9826 124.5717 62.0173 70.7949 173.2459 53 I 4.8527 8.6653 128.0880 59.2888 40.0259 174.5258 54 L 5.0206 8.2095 128.8832 53.6341 44.8684 175.7468 55 G 4.3581 8.6727 111.5593 46.2191 0.0000 170.6717 56 N 5.1644 8.6338 119.1234 52.5739 41.4715 175.6592 57 N 4.0944 8.3541 122.3062 54.6388 37.4888 172.8180 58 L 4.2268 8.1333 118.5948 53.8817 43.2701 177.2840 59 D 4.6648 8.5004 122.6009 53.0685 41.7209 176.3092 60 Y 4.0406 8.5495 128.4639 60.9432 38.9458 177.3898 61 E 3.8148 8.4485 118.9680 59.6178 29.5619 179.0498 62 Q 3.9038 8.2276 119.1169 59.2108 29.1080 178.5573 63 I 3.6141 7.5435 120.7699 64.2852 37.2278 178.3756 64 K 3.8458 8.3966 121.0287 59.1886 31.8465 179.0408 65 G 3.5519 8.1101 106.5125 47.3563 0.0000 176.0794 66 V 3.5181 7.3763 119.7412 65.8532 31.8870 177.8793 67 I 3.8629 7.7153 119.4933 64.5623 36.7448 178.3695 68 E 4.7807 7.9277 119.4939 58.6763 29.5064 180.0858 69 D 4.6391 7.9428 120.0232 53.6844 40.8519 177.5308 *71 G 3.8707 8.0818 106.8921 44.8803 0.0000 173.5980 72 G 4.3861 8.2218 108.1416 45.1185 0.0000 173.4028 73 V 4.8885 8.4543 118.8812 59.7494 35.2176 174.5740 74 I 4.3259 8.3980 123.9998 61.4730 37.1677 175.4098 75 H 4.8186 9.5876 125.8595 58.3902 29.5294 175.8232 76 S 4.5964 7.8320 109.7468 57.4960 66.1196 174.4917 77 V 4.5332 8.3358 121.5410 61.8273 31.3885 174.9946 78 D 4.6568 9.1946 129.5784 56.4362 41.8006 176.8514 79 E 4.7473 7.7918 117.6090 55.0466 33.0604 174.0692 80 V 4.9920 8.3619 125.2486 61.1578 35.1875 174.4373 81 V 4.6030 8.8157 125.8561 61.1557 34.5440 174.0882 82 A 5.6537 8.2125 127.3304 50.3476 22.6942 174.5723 83 G 3.7186 8.7951 104.0877 44.1980 0.0000 173.9432 84 K 4.2699 8.5344 117.0693 58.3896 32.2702 177.7804 85 I 4.4048 7.3631 117.8763 59.1180 39.2861 175.4821 86 I 3.8715 8.2272 125.1921 61.0587 36.4095 175.5065 87 V 4.1151 8.1287 125.9591 61.3423 32.3340 175.4800 88 E 4.4112 8.4373 126.5788 55.0381 30.7534 175.9302 89 S 4.0924 8.3377 116.1342 58.1523 62.7955 174.4323 90 V 3.8262 8.3474 130.5271 62.4122 30.2691 176.0891 91 E 4.1827 8.5295 121.8219 55.9824 29.5429 174.8428 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 1 L 8.17 4.47 0.00 1.66 1.72 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.12 4.29 0.00 1.96 1.89 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.50 7.81 3 G 9.36 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.41 4.49 0.00 1.73 1.66 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.30 5.11 0.00 1.66 1.94 0.00 3.52 0.00 0.00 3.35 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 6 R 7.74 5.19 0.00 1.84 1.71 0.00 3.12 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 7 L 9.11 5.25 0.00 1.65 1.58 1.12 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.75 4.72 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 1.06 0.00 0.00 0.94 0.00 0.00 9 L 9.17 5.05 0.00 1.62 1.62 0.98 0.97 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 10 D 9.08 5.01 0.00 2.96 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 11 V 9.06 4.78 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 0.92 0.00 0.00 0.95 0.00 0.00 12 L 8.22 5.15 0.00 1.56 1.25 0.98 0.36 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 13 K 8.57 4.95 0.00 1.86 1.69 0.00 0.61 0.00 0.00 0.66 0.00 0.00 2.25 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.08 1.28 7.81 14 P 0.00 4.98 0.00 2.44 2.02 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 15 H 8.67 4.41 0.00 3.13 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.48 4.71 0.00 2.01 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 2.23 2.28 0.00 17 P 0.00 4.69 0.00 2.28 2.07 0.00 3.97 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 2.10 1.93 0.00 18 K 8.40 4.21 0.00 1.89 1.81 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.58 7.81 19 T 8.46 3.89 4.18 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 1.08 0.00 0.00 20 I 7.85 3.70 1.90 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 1.54 1.04 0.94 0.00 0.00 21 V 8.01 3.70 2.29 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 1.06 0.00 0.00 0.97 0.00 0.00 22 F 8.38 3.93 0.00 3.30 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 23 A 8.39 4.05 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 24 L 7.68 3.87 0.00 2.00 1.76 0.93 0.66 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 25 K 8.42 3.98 0.00 1.87 1.70 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.46 7.81 26 L 8.31 4.02 0.00 1.81 1.72 1.01 0.81 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 27 S 8.29 4.20 0.00 4.00 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 28 E 7.52 4.38 0.00 2.13 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 2.29 2.47 0.00 29 L 7.22 4.14 0.00 1.63 1.60 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.11 3.68 0.00 1.90 1.86 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 2.30 2.43 0.00 31 N 7.89 4.85 0.00 2.67 2.99 0.00 0.00 6.35 7.68 0.00 0.00 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 V 7.74 4.47 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 0.85 0.00 0.00 0.94 0.00 0.00 33 D 9.49 4.56 0.00 2.73 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 34 G 7.59 4.37 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 0.00 35 V 8.32 5.01 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 0.84 0.00 0.00 0.98 0.00 0.00 36 N 9.29 4.92 0.00 2.78 2.65 0.00 0.00 6.73 7.74 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 37 I 8.44 4.79 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.84 0.00 0.00 38 H 9.04 4.79 0.00 3.23 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.22 4.36 0.00 1.58 1.45 0.89 0.93 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 40 S 8.76 4.39 0.00 3.98 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 41 E 7.61 4.73 0.00 1.98 1.71 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 2.23 2.29 0.00 42 I 8.30 4.74 1.84 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 1.36 0.75 0.84 0.00 0.00 43 D 8.37 5.07 0.00 2.66 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 44 Q 8.64 4.16 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 45 A 7.71 4.21 1.16 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 46 T 7.53 4.90 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 1.19 0.00 0.00 47 E 9.24 5.10 0.00 1.79 1.73 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 2.17 2.28 0.00 48 N 9.29 5.40 0.00 2.55 2.69 0.00 0.00 6.58 7.32 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 49 I 9.22 4.93 1.77 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.85 0.76 0.00 0.00 50 K 9.09 4.86 0.00 1.89 1.78 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.44 7.81 51 I 8.83 4.76 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 0.95 0.00 0.00 52 T 8.98 5.06 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 1.22 0.00 0.00 53 I 8.67 4.85 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.94 0.00 0.00 54 L 8.21 5.02 0.00 1.76 1.49 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.67 4.36 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 0.00 56 N 8.63 5.16 0.00 2.70 2.66 0.00 0.00 7.22 7.32 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 57 N 8.35 4.09 0.00 2.87 2.77 0.00 0.00 7.26 7.18 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 58 L 8.13 4.23 0.00 1.75 1.63 0.99 1.06 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 59 D 8.50 4.66 0.00 2.76 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 60 Y 8.55 4.04 0.00 3.10 2.99 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 61 E 8.45 3.81 0.00 2.17 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 2.50 2.38 0.00 62 Q 8.23 3.90 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 63 I 7.54 3.61 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 0.85 0.00 0.00 64 K 8.40 3.85 0.00 1.05 1.69 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.34 7.81 65 G 8.11 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 3.52 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 0.76 0.00 0.00 0.87 0.00 0.00 67 I 7.72 3.86 1.88 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 1.69 0.65 1.07 0.00 0.00 68 E 7.93 4.78 0.00 1.99 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 2.48 2.34 0.00 69 D 7.94 4.64 0.00 2.71 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 *71 G 8.08 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.22 4.39 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 0.00 73 V 8.45 4.89 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 0.75 0.00 0.00 0.99 0.00 0.00 74 I 8.40 4.33 1.96 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 1.38 0.56 1.04 0.00 0.00 75 H 9.59 4.82 0.00 3.22 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.83 4.60 0.00 3.87 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 77 V 8.34 4.53 2.05 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 0.79 0.00 0.00 0.92 0.00 0.00 78 D 9.19 4.66 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 79 E 7.79 4.75 0.00 2.01 1.73 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 2.28 2.29 0.00 80 V 8.36 4.99 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 0.89 0.00 0.00 81 V 8.82 4.60 2.17 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 0.79 0.00 0.00 0.93 0.00 0.00 82 A 8.21 5.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 4.27 0.00 1.76 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.46 7.81 85 I 7.36 4.40 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 1.41 0.58 0.91 0.00 0.00 86 I 8.23 3.87 1.87 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 1.30 0.74 0.91 0.00 0.00 87 V 8.13 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 0.81 0.00 0.00 1.00 0.00 0.00 88 E 8.44 4.41 0.00 1.99 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 2.28 2.23 0.00 89 S 8.34 4.09 0.00 3.95 3.77 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 90 V 8.35 3.83 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 91 E 8.53 4.18 0.00 2.03 1.71 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.