NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4285 8.3044 120.6122 55.2018 34.1612 175.6161 2 V 4.0155 5.7622 117.2423 61.7440 33.8768 173.4177 3 K 5.1741 9.9669 129.5079 54.8950 34.4454 175.3737 4 V 5.0833 9.1968 125.2458 59.7306 34.5504 174.1503 5 L 4.6153 8.8466 126.6918 53.4060 44.5415 174.9041 6 T 4.8191 8.9750 123.6377 62.2691 69.7819 173.6099 7 A 5.1970 8.8085 130.3314 50.6205 21.2028 174.8804 8 C 4.4808 8.9825 115.9996 58.0991 33.3352 174.9593 9 G 4.0053 8.5672 107.3967 45.3045 0.0000 173.8815 10 N 4.6267 7.8945 117.0882 52.8729 40.6185 178.3380 11 G 4.0028 8.2526 112.9095 45.6904 0.0000 175.6375 *13 G 3.8347 9.1037 111.0263 45.4754 0.0000 173.8285 14 S 4.2604 8.1962 116.6733 61.5186 63.0290 178.1007 15 S 4.2756 8.2860 114.3305 59.2300 62.3713 176.6009 *17 V 3.9729 7.9096 121.2083 63.1512 33.0504 176.5861 18 I 3.8253 7.9419 120.3280 64.6572 37.0769 178.9207 19 K 3.9481 7.9160 117.4283 57.5545 32.4511 178.7893 *21 K 4.1954 8.1397 120.5729 56.5827 34.2307 178.3536 22 V 3.5543 8.0933 118.1240 66.0120 31.3900 177.6113 23 E 3.9234 8.3785 119.1863 59.2795 29.4774 178.2340 24 N 4.2625 8.1542 116.2692 56.7660 39.2051 176.4849 25 A 4.0295 8.0459 122.0879 55.1513 18.4126 179.6351 26 L 3.9830 8.0948 117.5445 58.0408 41.7044 179.9738 27 R 4.2260 8.0980 119.3952 58.7430 29.7358 179.0193 28 Q 4.0480 7.9910 117.2096 58.8700 28.8190 178.2956 29 L 4.2710 7.6084 117.0764 55.5157 41.8217 177.8839 30 G 3.8679 7.9861 107.7136 44.9433 0.0000 173.6732 31 V 3.8891 7.8412 121.1005 62.0855 31.3651 176.4923 32 S 4.2868 8.6646 122.5371 59.1955 64.1875 173.1719 33 D 4.8575 7.9148 120.9641 52.3665 42.6352 174.7716 34 I 5.1264 8.2449 125.8239 59.2886 41.0404 174.5963 35 E 4.6516 9.3350 127.7009 54.6227 31.7672 174.5364 36 S 5.4471 8.8381 122.6230 56.7889 65.6853 173.4040 37 A 4.9863 9.1124 125.1202 50.2542 22.8622 174.8041 38 S 5.1355 8.2847 112.6938 57.2993 66.7542 172.8239 39 C 4.7380 8.3091 114.6357 57.9408 33.2005 173.2833 40 S 5.2352 8.9527 113.3769 57.1353 63.3494 175.3521 41 V 3.6177 8.5030 120.2906 66.2826 30.8987 178.3451 42 G 3.6216 7.9438 103.5587 47.8733 0.0000 175.0412 43 E 4.1073 8.4807 120.9123 59.0913 29.4616 179.3132 44 A 3.9846 8.2310 120.8686 54.5894 18.0979 179.5168 45 K 3.8863 7.5148 116.1360 59.9137 32.2835 179.0613 46 G 3.8025 7.7686 103.7160 46.2896 0.0000 174.8526 47 L 4.6257 7.7034 119.2446 55.5291 43.2031 178.1099 48 A 4.1157 8.6309 121.6395 55.1720 17.9789 179.4850 49 S 4.2759 8.1081 111.0187 60.8698 63.2039 175.3605 50 N 4.4653 8.3736 118.9030 53.3640 38.9378 174.2638 51 Y 4.6234 7.0981 117.5941 55.9283 41.0085 175.6197 52 D 4.6378 8.9259 123.3008 56.8549 42.3138 176.6611 53 I 5.1530 7.8229 118.0303 59.3662 41.4899 174.7277 54 V 4.7631 8.9622 126.2207 61.0586 34.5425 174.0920 55 V 4.9395 8.8269 127.9078 61.2867 34.0849 174.1949 56 A 4.9937 8.6931 127.4112 51.0753 23.6179 175.1355 57 S 4.4322 8.6385 113.7935 59.0385 62.6534 174.7384 58 N 4.3426 8.8655 125.0288 57.1355 38.3248 176.9041 59 H 4.5289 7.9078 114.8005 57.4976 28.9904 176.5475 60 L 4.5926 7.6934 119.1043 54.1562 42.5325 178.1253 61 I 3.7154 7.6704 114.5783 63.8217 37.1594 177.4174 62 H 4.3697 8.3596 116.7276 58.7748 27.7778 176.9312 63 E 3.7271 7.9759 120.2085 58.0028 29.4842 177.2887 64 L 4.5672 8.1693 117.6557 54.1079 43.3908 175.9033 65 D 4.4273 7.3748 119.2913 55.6513 41.3258 176.6266 66 G 3.9946 8.9621 114.2523 45.7402 0.0000 173.8838 67 R 4.3463 7.9916 117.5054 56.9382 30.8228 176.2577 68 T 4.6946 7.3564 110.7669 60.6632 70.3341 172.8873 69 N 4.6321 8.7274 122.6811 53.6417 39.1516 175.5628 70 G 4.0204 7.7609 106.4110 45.0597 0.0000 173.2536 71 K 4.2852 8.6833 119.8011 56.1546 32.9383 176.4904 72 L 4.8331 8.5458 128.1876 53.8519 43.2830 175.4178 73 I 4.4263 9.3957 128.9821 59.5236 39.5389 174.8499 74 G 4.3998 8.7058 114.5574 44.5828 0.0000 172.5685 75 L 5.0152 8.4869 123.7405 52.8373 44.4499 177.6471 76 D 4.1209 9.5518 124.4668 56.4834 40.9958 176.2620 77 N 4.9054 8.2776 117.3354 51.4686 40.5002 175.5286 78 L 4.0489 8.3169 129.1990 54.5200 41.0506 177.9872 *80 D 4.3065 8.0471 118.2551 54.0585 42.0032 173.6213 81 D 4.3748 8.5408 127.9951 57.4608 40.8485 178.4058 82 N 4.3154 8.1981 117.0901 56.5216 38.9929 176.6872 83 E 3.9306 8.2951 120.3137 59.1303 29.7322 178.3922 84 I 3.6361 8.0595 120.3163 64.4616 37.1673 178.1789 85 K 3.8985 8.1589 120.0797 59.8093 32.0442 178.9316 86 T 3.8465 8.0174 115.8719 66.7229 68.4512 176.8979 87 K 4.0239 8.4786 120.7665 59.2744 32.0363 179.5282 88 L 3.9818 8.1543 119.4333 57.8553 41.5548 179.1747 89 E 3.9751 8.3753 118.7043 59.7597 29.2067 179.4793 90 E 4.0116 8.1059 116.9547 59.2898 29.5552 178.9784 91 A 4.1551 8.0266 120.1099 54.3215 18.5760 178.7048 92 L 4.4664 7.8470 115.5762 55.4648 43.2274 176.6391 93 K 4.1237 8.3443 124.2458 56.5224 32.1519 176.1426 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 M 8.30 4.43 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 V 5.76 4.02 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 0.97 0.00 0.00 0.94 0.00 0.00 3 K 9.97 5.17 0.00 1.62 1.64 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.49 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.32 7.81 4 V 9.20 5.08 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 0.83 0.00 0.00 0.92 0.00 0.00 5 L 8.85 4.62 0.00 0.27 1.10 0.44 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.98 4.82 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 1.17 0.00 0.00 7 A 8.81 5.20 1.15 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 8 C 8.98 4.48 0.00 2.94 2.96 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 0.00 0.00 0.00 9 G 8.57 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 10 N 7.89 4.63 0.00 2.71 2.76 0.00 0.00 6.99 7.65 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 11 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.10 3.83 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 0.00 0.00 0.00 14 S 8.20 4.26 0.00 4.01 3.94 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 0.00 0.00 0.00 15 S 8.29 4.28 0.00 3.85 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 *17 V 7.91 3.97 2.22 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 0.79 0.00 0.00 0.99 0.00 0.00 18 I 7.94 3.83 1.85 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 1.45 0.60 0.95 0.00 0.00 19 K 7.92 3.95 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 *21 K 8.14 4.20 0.00 1.98 1.89 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.53 7.81 22 V 8.09 3.55 2.20 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 0.99 0.00 0.00 0.94 0.00 0.00 23 E 8.38 3.92 0.00 2.21 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 0.00 2.31 2.33 0.00 24 N 8.15 4.26 0.00 2.79 2.97 0.00 0.00 7.06 7.85 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 25 A 8.05 4.03 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 26 L 8.09 3.98 0.00 1.91 1.73 0.93 0.75 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 27 R 8.10 4.23 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 28 Q 7.99 4.05 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 29 L 7.61 4.27 0.00 1.84 1.72 0.92 0.93 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 30 G 7.99 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 31 V 7.84 3.89 2.25 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 0.98 0.00 0.00 0.94 0.00 0.00 32 S 8.66 4.29 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.86 0.00 2.79 2.58 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 34 I 8.24 5.13 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 1.24 0.80 0.93 0.00 0.00 35 E 9.34 4.65 0.00 2.01 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 2.28 2.29 0.00 36 S 8.84 5.45 0.00 3.77 3.73 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 37 A 9.11 4.99 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 38 S 8.28 5.14 0.00 3.82 3.75 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 39 C 8.31 4.74 0.00 3.19 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 40 S 8.95 5.24 0.00 4.00 4.02 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 41 V 8.50 3.62 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 1.00 0.00 0.00 0.95 0.00 0.00 42 G 7.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.48 4.11 0.00 2.22 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 2.32 0.00 44 A 8.23 3.98 1.33 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 0.00 0.00 45 K 7.51 3.89 0.00 1.92 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.64 7.81 46 G 7.77 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 47 L 7.70 4.63 0.00 1.74 1.90 0.95 0.88 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 48 A 8.63 4.12 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 49 S 8.11 4.28 0.00 4.05 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 50 N 8.37 4.47 0.00 2.56 2.49 0.00 0.00 6.79 8.04 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 51 Y 7.10 4.62 0.00 3.16 3.05 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 52 D 8.93 4.64 0.00 2.80 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 53 I 7.82 5.15 1.91 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 1.25 0.80 0.92 0.00 0.00 54 V 8.96 4.76 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 0.89 0.00 0.00 0.96 0.00 0.00 55 V 8.83 4.94 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 0.87 0.00 0.00 0.91 0.00 0.00 56 A 8.69 4.99 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 57 S 8.64 4.43 0.00 3.88 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 58 N 8.87 4.34 0.00 2.56 2.84 0.00 0.00 7.07 8.13 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 59 H 7.91 4.53 0.00 3.09 3.36 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.69 4.59 0.00 1.63 1.58 0.91 0.49 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 61 I 7.67 3.72 1.87 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 1.69 0.95 0.89 0.00 0.00 62 H 8.36 4.37 0.00 3.37 3.63 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.98 3.73 0.00 1.93 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 2.06 2.38 0.00 64 L 8.17 4.57 0.00 1.71 1.64 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.37 4.43 0.00 2.49 2.60 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 0.00 0.00 0.00 0.00 66 G 8.96 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 0.00 0.00 0.00 67 R 7.99 4.35 0.00 1.87 2.16 0.00 3.31 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 68 T 7.36 4.69 4.27 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 1.23 0.00 0.00 69 N 8.73 4.63 0.00 2.76 2.84 0.00 0.00 6.94 7.65 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 70 G 7.76 4.02 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 0.00 0.00 0.00 71 K 8.68 4.29 0.00 1.72 1.77 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.54 7.81 72 L 8.55 4.83 0.00 1.63 1.58 0.92 1.07 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 73 I 9.40 4.43 1.86 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 1.16 0.68 0.90 0.00 0.00 74 G 8.71 4.40 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 0.00 75 L 8.49 5.02 0.00 1.55 1.65 0.90 0.79 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 76 D 9.55 4.12 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 77 N 8.28 4.91 0.00 2.64 2.67 0.00 0.00 7.30 7.20 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 78 L 8.32 4.05 0.00 1.66 1.66 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 *80 D 8.05 4.31 0.00 2.73 2.77 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 81 D 8.54 4.37 0.00 2.72 2.72 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 82 N 8.20 4.32 0.00 2.78 2.94 0.00 0.00 6.77 8.67 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 83 E 8.30 3.93 0.00 2.21 1.92 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 2.37 2.39 0.00 84 I 8.06 3.64 2.02 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 1.40 0.53 0.90 0.00 0.00 85 K 8.16 3.90 0.00 1.88 1.99 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 86 T 8.02 3.85 4.41 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 1.23 0.00 0.00 87 K 8.48 4.02 0.00 1.75 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.78 7.81 88 L 8.15 3.98 0.00 1.68 1.71 0.92 0.93 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 89 E 8.38 3.98 0.00 2.14 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 2.61 0.00 90 E 8.11 4.01 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 2.35 2.51 0.00 91 A 8.03 4.16 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 92 L 7.85 4.47 0.00 1.62 1.71 0.93 0.77 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 93 K 8.34 4.12 0.00 1.82 1.68 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.