NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4863 8.1633 118.3334 55.4675 33.5516 174.2982 2 Q 4.9779 8.1733 118.1707 53.2270 30.3477 173.4603 3 M 4.3168 7.5386 117.6808 54.6735 35.3780 172.2214 4 P 4.4008 0.0000 0.0000 62.7732 32.5561 176.4086 5 R 4.3366 8.6835 121.6782 59.2129 30.9947 176.3920 6 R 5.6680 7.9782 114.7703 53.7874 34.5178 174.2854 7 F 4.7872 7.8144 114.3903 56.5331 40.7794 172.2077 8 N 5.1748 9.1650 117.1837 53.5059 39.4671 174.5571 9 T 4.2901 8.1704 116.1073 61.3116 72.3621 171.2773 10 Y 4.3125 8.1554 125.9609 57.6223 40.2352 173.6835 11 C 4.5037 7.5455 126.3420 56.7087 32.7800 172.5499 12 P 4.3385 0.0000 0.0000 64.9961 31.0699 176.9502 13 H 4.5963 7.7760 115.4869 57.8612 29.3247 175.8231 14 C 4.2675 7.8282 114.1709 59.1913 28.6288 172.8221 15 N 4.3233 8.0093 116.7145 52.6456 37.5598 173.0975 16 E 4.9199 7.1176 110.2647 54.9359 32.7004 174.1942 17 H 4.6641 9.0234 119.0665 56.8886 29.4715 174.6109 18 Q 4.6400 8.7768 119.0279 54.6134 34.0093 173.2366 19 E 4.2656 8.7207 122.8052 56.9173 31.0812 175.3970 20 H 5.2033 9.3355 123.0858 53.9545 33.6492 172.1315 21 E 4.9367 8.9494 119.6855 54.5275 32.0720 174.9759 22 V 4.2386 8.7808 127.8121 62.2860 32.6589 174.7926 23 E 4.2850 8.0068 125.1213 54.5903 33.3020 173.8222 24 K 4.5434 8.3665 125.3848 55.7213 32.9596 176.3560 25 V 3.5804 7.9409 125.5587 63.2821 31.7470 176.0396 26 R 4.1636 8.4299 127.3375 55.6409 30.7908 177.1835 27 S 4.2313 8.5361 118.0491 58.5475 63.4981 174.0274 28 G 3.9649 8.3647 113.5433 43.9554 0.0000 173.7693 29 R 4.0244 8.3728 124.2297 56.3211 30.8264 175.9334 30 Q 4.4814 8.3415 122.1664 55.4137 29.9956 175.8578 31 T 4.2677 8.3367 108.3226 60.8761 70.1041 175.9052 32 G 4.0624 8.2830 109.1558 46.8050 0.0000 173.7333 33 M 4.6537 7.4347 115.8686 54.2200 33.2360 176.8982 34 K 4.3461 8.0808 119.3381 55.2383 34.2485 177.4398 35 W 4.2878 8.8928 130.6206 61.0172 30.4029 177.5828 36 I 3.1049 8.1697 117.6320 64.4293 37.2678 176.8089 37 D 4.2540 8.1356 118.7209 57.8754 40.6414 179.4265 38 R 3.8075 7.5729 117.8523 59.0645 30.0062 178.9016 39 Q 3.8076 7.4401 119.4727 58.5346 28.6068 178.1447 40 R 2.5100 7.2787 119.3307 58.8693 30.1660 177.7093 41 E 3.9138 7.4546 117.0760 59.8838 29.5137 179.5079 42 R 3.9848 7.8511 117.3081 58.5500 30.4993 178.9092 43 N 4.9309 8.4821 116.0024 53.6077 41.3426 176.1781 44 S 5.5158 7.1298 111.2762 56.3061 64.9125 174.0709 45 G 3.9368 8.0653 118.0925 46.0033 0.0000 174.9795 46 I 4.4445 8.7320 118.8771 60.1127 40.4754 177.3785 47 G 3.7949 8.5314 110.3142 45.4246 0.0000 172.8063 48 N 4.4406 8.7483 119.5394 54.2753 39.7992 175.1587 49 D 5.0196 9.0677 123.8613 53.6658 42.7372 177.4026 50 G 3.7306 7.8846 109.4643 46.0354 0.0000 176.7113 51 K 3.6630 8.6422 119.4736 60.2088 32.0667 179.0555 52 F 4.8244 7.4660 113.0487 57.7733 38.1282 175.8321 53 S 4.7152 7.9927 117.2966 58.2817 64.9938 175.1342 54 K 4.1668 7.3638 117.3496 56.2487 32.2927 176.6375 55 V 4.2474 7.7145 115.5614 60.3809 34.2165 175.1113 56 P 3.6716 0.0000 0.0000 61.3922 30.4969 175.3529 57 G 4.0561 8.1831 112.7205 43.7410 0.0000 172.5607 58 G 3.8473 8.2190 108.0842 45.2616 0.0000 172.2492 59 D 4.5560 8.2393 118.6238 52.1667 43.7792 175.3348 60 K 3.8649 8.8143 125.5028 55.8964 32.7107 174.3157 61 P 4.4183 0.0000 0.0000 65.5885 31.1694 176.8793 62 T 4.6107 7.5111 113.0963 61.3011 72.2586 173.3053 63 K 4.5325 8.2589 124.3627 55.1015 34.4047 176.3109 64 K 4.5842 8.3753 121.3878 56.1578 33.3795 177.1797 65 T 3.5434 7.9625 119.5750 63.9130 69.2462 172.9994 66 D 4.7220 8.5973 125.0938 52.5639 43.3011 174.1826 67 L 4.9871 8.4001 124.1122 52.7573 46.4567 175.9882 68 K 4.5038 8.6532 118.9160 54.9822 35.4940 175.3116 69 Y 4.5027 8.9009 123.6197 56.6711 39.3422 174.8068 70 R 5.0409 8.3136 124.4667 54.4259 32.3205 175.8712 71 C 4.0720 9.8786 126.8553 59.1384 32.3618 174.2486 72 G 3.3360 9.2256 113.1318 48.0466 0.0000 172.9868 73 E 4.5589 8.1829 118.5967 56.6867 32.3235 176.4791 74 C 3.9826 8.2599 119.4459 59.5049 30.2667 175.1376 75 G 4.2896 7.6342 107.4765 46.2821 0.0000 173.6158 76 K 4.4699 7.7611 118.2194 54.7135 34.0932 176.7704 77 A 5.3251 8.0895 121.2992 52.5744 20.5787 176.7210 *78 H 4.7165 8.3378 114.6044 54.2335 30.1171 173.2579 79 L 5.2211 8.1688 120.1235 53.3728 43.8068 175.2073 80 R 4.7694 8.2278 118.3761 54.3798 34.0551 174.8518 81 E 4.3153 8.7624 117.9286 56.7213 30.0467 176.3041 82 G 4.9905 8.6995 107.2949 43.6002 0.0000 172.5916 83 W 5.2556 7.8758 116.0765 54.0507 31.4362 174.4658 84 R 4.3893 9.0730 122.1284 57.0751 30.1045 175.7976 85 A 4.5165 8.5928 125.5933 50.1247 21.4513 176.2175 86 G 3.6707 9.0003 112.2601 48.2737 0.0000 173.8758 87 R 4.4853 7.4095 117.2174 54.4565 32.9848 173.5082 88 L 4.7510 8.2785 125.4294 53.4554 44.6659 174.9913 89 E 4.7029 8.8756 126.2885 54.4717 32.5146 175.3244 90 F 4.9731 8.8344 122.7286 56.9750 40.4258 175.6326 91 Q 4.2284 10.1869 123.6952 56.2329 29.3414 176.2620 92 E 4.1430 8.8434 122.9981 56.6402 29.0688 174.8539 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 8.16 4.49 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 2 Q 8.17 4.98 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 3 M 7.54 4.32 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 4 P 0.00 4.40 0.00 2.71 2.15 0.00 3.85 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.83 0.00 5 R 8.68 4.34 0.00 2.05 2.04 0.00 2.90 0.00 0.00 3.06 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 6 R 7.98 5.67 0.00 1.72 1.92 0.00 3.36 0.00 0.00 3.92 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 7 F 7.81 4.79 0.00 3.13 3.19 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 8 N 9.16 5.17 0.00 2.79 2.93 0.00 0.00 6.68 7.54 0.00 0.00 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 T 8.17 4.29 4.68 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 0.00 0.00 0.00 0.99 0.00 0.00 10 Y 8.16 4.31 0.00 3.08 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 11 C 7.55 4.50 0.00 3.11 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 12 P 0.00 4.34 0.00 2.13 2.22 0.00 3.37 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 13 H 7.78 4.60 0.00 3.13 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.83 4.27 0.00 2.84 2.90 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 15 N 8.01 4.32 0.00 2.84 2.90 0.00 0.00 6.97 7.27 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 16 E 7.12 4.92 0.00 2.06 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 2.27 2.26 0.00 17 H 9.02 4.66 0.00 3.07 3.37 0.00 5.93 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.78 4.64 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 19 E 8.72 4.27 0.00 2.06 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 2.35 2.36 0.00 20 H 9.34 5.20 0.00 2.73 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.95 4.94 0.00 1.91 1.68 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 0.00 2.21 2.15 0.00 22 V 8.78 4.24 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 1.22 0.00 0.00 1.15 0.00 0.00 23 E 8.01 4.29 0.00 2.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 24 K 8.37 4.54 0.00 1.70 1.76 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.76 7.81 25 V 7.94 3.58 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 0.73 0.00 0.00 0.98 0.00 0.00 26 R 8.43 4.16 0.00 1.82 1.83 0.00 3.24 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 27 S 8.54 4.23 0.00 3.85 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 28 G 8.36 3.96 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 0.00 0.00 0.00 29 R 8.37 4.02 0.00 1.78 1.84 0.00 3.23 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 30 Q 8.34 4.48 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 31 T 8.34 4.27 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 1.22 0.00 0.00 32 G 8.28 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 0.00 0.00 0.00 33 M 7.43 4.65 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 34 K 8.08 4.35 0.00 2.11 1.83 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.55 7.81 35 W 8.89 4.29 0.00 3.43 3.35 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 36 I 8.17 3.10 2.05 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 1.34 0.95 0.00 0.00 37 D 8.14 4.25 0.00 2.83 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 38 R 7.57 3.81 0.00 1.65 1.86 0.00 3.13 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 39 Q 7.44 3.81 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 40 R 7.28 2.51 0.00 1.14 1.59 0.00 3.14 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 41 E 7.45 3.91 0.00 2.02 1.91 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 2.23 2.45 0.00 42 R 7.85 3.98 0.00 1.72 1.90 0.00 3.15 0.00 0.00 3.22 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 43 N 8.48 4.93 0.00 2.82 2.91 0.00 0.00 6.97 7.54 0.00 0.00 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 S 7.13 5.52 0.00 3.72 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 45 G 8.07 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 0.00 0.00 0.00 46 I 8.73 4.44 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 1.34 0.69 0.91 0.00 0.00 47 G 8.53 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.75 4.44 0.00 2.68 2.75 0.00 0.00 6.64 8.47 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 49 D 9.07 5.02 0.00 2.83 2.81 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 0.00 0.00 0.00 50 G 7.88 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 0.00 0.00 0.00 51 K 8.64 3.66 0.00 1.63 1.85 0.00 1.12 0.00 0.00 0.91 0.00 0.00 2.59 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.47 0.21 7.81 52 F 7.47 4.82 0.00 3.07 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 53 S 7.99 4.72 0.00 4.00 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 54 K 7.36 4.17 0.00 1.80 1.73 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.56 7.81 55 V 7.71 4.25 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 0.81 0.00 0.00 0.93 0.00 0.00 56 P 0.00 3.67 0.00 2.10 2.24 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 57 G 8.18 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 0.00 0.00 0.00 58 G 8.22 3.85 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 0.00 0.00 0.00 59 D 8.24 4.56 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.81 3.86 0.00 1.68 1.74 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 61 P 0.00 4.42 0.00 2.21 2.18 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 62 T 7.51 4.61 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 1.23 0.00 0.00 63 K 8.26 4.53 0.00 1.61 1.67 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.37 7.81 64 K 8.38 4.58 0.00 1.61 1.70 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.47 7.81 65 T 7.96 3.54 3.12 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 0.00 0.00 0.00 0.61 0.00 0.00 66 D 8.60 4.72 0.00 2.63 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 67 L 8.40 4.99 0.00 1.30 1.18 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.65 4.50 0.00 1.67 1.61 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.35 7.81 69 Y 8.90 4.50 0.00 2.70 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 70 R 8.31 5.04 0.00 1.95 1.82 0.00 3.09 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 71 C 9.88 4.07 0.00 2.84 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 72 G 9.23 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 0.00 0.00 0.00 73 E 8.18 4.56 0.00 1.90 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 2.23 2.22 0.00 74 C 8.26 3.98 0.00 3.09 3.04 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 0.00 0.00 0.00 75 G 7.63 4.29 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 0.00 76 K 7.76 4.47 0.00 1.84 1.70 0.00 1.44 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.37 7.81 77 A 8.09 5.33 1.21 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 0.00 0.00 *78 H 8.34 4.72 0.00 2.83 2.98 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.17 5.22 0.00 1.70 1.71 0.97 1.00 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 80 R 8.23 4.77 0.00 1.90 1.86 0.00 2.21 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 81 E 8.76 4.32 0.00 2.07 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 2.37 2.36 0.00 82 G 8.70 4.99 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 83 W 7.88 5.26 0.00 3.39 3.26 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 84 R 9.07 4.39 0.00 1.78 2.00 0.00 3.19 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 85 A 8.59 4.52 0.97 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 0.00 0.00 86 G 9.00 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.41 4.49 0.00 1.71 1.72 0.00 3.36 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 88 L 8.28 4.75 0.00 1.39 1.29 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.88 4.70 0.00 2.11 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 2.20 2.20 0.00 90 F 8.83 4.97 0.00 2.95 3.06 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 91 Q 10.19 4.23 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 5.66 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 92 E 8.84 4.14 0.00 2.21 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 0.00 2.21 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.