NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 S 4.4417 8.4345 117.0910 58.2292 63.8686 173.9557 0 D 4.9856 8.7243 119.5694 51.0470 41.3077 173.0852 1 C 6.1171 8.1198 112.2130 53.7911 43.0468 172.3316 2 Y 5.1912 8.0762 116.5004 55.3631 41.1692 174.3470 3 F 4.5444 9.0805 118.7914 57.3031 42.2295 179.1259 4 G 4.0074 9.2123 111.8029 47.0055 0.0000 173.9092 5 N 4.9690 9.5545 121.9107 52.1345 38.7330 176.4207 6 G 3.9679 9.2093 108.5313 45.9549 0.0000 175.6161 7 S 4.3244 8.5564 114.7587 60.3605 62.7633 175.1400 8 A 4.3338 7.9428 120.2946 51.8539 18.9710 176.3007 9 Y 4.3027 8.0347 118.3140 58.3445 38.8692 176.1841 10 R 4.3864 7.9861 126.5891 55.6611 31.3433 175.8986 11 G 3.1779 5.6109 107.4217 45.4882 0.0000 174.1111 12 T 2.7755 7.7398 106.1583 60.6698 68.9880 174.1448 13 H 4.1240 8.7778 123.3776 57.4064 30.3395 175.9106 14 S 4.9608 8.5143 117.2810 58.1550 64.7618 172.7970 15 L 5.1480 7.9077 120.8221 53.5054 44.3007 176.3664 16 T 4.6525 8.5345 113.2871 60.1698 70.4925 175.5294 17 E 3.9560 8.9416 122.2300 59.7520 29.4115 178.7533 18 S 4.4264 7.9619 110.0980 58.0723 62.9271 175.0342 19 G 3.8180 8.3899 107.8631 46.2090 0.0000 174.2145 20 A 4.3694 7.6874 122.9619 51.4764 19.4854 176.6273 21 S 5.2527 8.0392 113.5752 56.3508 65.5713 174.9094 22 C 4.5063 8.7590 119.6166 57.4473 40.5852 173.6577 23 L 4.4839 8.3101 123.2470 53.2129 42.3491 175.4705 24 P 4.3222 0.0000 0.0000 62.5792 31.4888 177.2457 25 W 4.5271 8.9278 119.8580 58.3480 28.9947 177.0864 26 N 4.9416 7.8680 114.2101 51.8994 37.8974 174.5525 27 S 4.1133 7.8304 115.0302 59.2139 63.0854 175.1439 28 M 4.1448 8.7447 126.7098 58.4326 32.0455 178.5343 29 I 3.7104 7.8251 118.4295 64.1943 37.5363 176.3312 30 L 4.4547 8.0149 121.7996 55.1712 41.4326 177.0757 31 I 4.1558 7.5015 117.5066 61.0560 35.8809 179.2007 32 G 4.1814 8.9428 111.6736 45.2258 0.0000 174.4765 33 K 4.3343 7.5242 117.9776 55.7178 33.1123 177.3426 34 V 3.4726 8.3798 121.1615 65.3115 31.6400 175.8295 35 Y 4.6796 7.8953 119.1956 56.7053 37.6619 174.6585 37 T 5.0555 8.0132 113.4745 59.6534 71.8325 174.9390 38 A 3.7447 10.0490 128.7515 56.0464 18.4137 180.3475 *40 Q 4.4827 7.8441 111.1011 54.3405 30.6599 179.5710 41 N 4.4297 8.0141 116.1109 53.7952 39.3612 173.9630 42 P 4.3106 0.0000 0.0000 64.9657 31.6153 176.8675 43 S 4.6108 8.5846 112.8901 57.7376 62.9720 174.9058 44 A 3.9036 8.2112 127.2435 56.0719 18.5162 181.4399 44A Q 3.9031 8.2166 113.2661 58.1869 28.3039 180.5254 44B A 4.1147 7.9644 119.9614 54.1849 18.4644 177.9935 44C L 4.2934 7.5088 113.9872 54.1747 42.2725 177.0495 45 G 3.7529 7.9168 106.7454 46.2639 0.0000 173.1797 46 L 3.9729 7.3071 119.3835 52.3772 43.8027 176.8263 47 G 3.8832 7.3830 111.1483 45.9204 0.0000 174.2088 48 K 4.4621 8.7148 116.4621 55.1627 30.4698 174.5428 48A H 4.3904 6.9482 114.7727 55.5221 30.8561 174.0970 49 N 4.9669 8.0654 115.1973 52.5469 37.5342 174.0943 50 Y 5.1539 7.9408 115.7924 58.8356 38.9127 176.6259 51 C 4.8315 9.2161 120.9703 57.5783 37.8916 173.1498 52 R 4.6616 8.2605 118.1911 55.1584 34.4197 173.9220 53 N 5.2838 8.0912 117.2588 51.5818 38.6248 172.9165 54 P 4.2497 0.0000 0.0000 63.8759 32.5146 177.5769 55 D 4.6565 7.7243 117.3205 52.5621 39.4274 175.8481 56 G 3.8353 7.7129 104.7467 47.2405 0.0000 174.3872 57 D 5.1601 8.3801 119.3285 52.4881 42.3427 175.5073 58 A 4.0628 9.8600 122.2173 54.4391 18.3716 177.3777 59 K 4.8088 7.5055 112.0198 56.7043 34.6410 171.6209 57 P 4.9401 0.0000 0.0000 61.5881 33.3427 176.5073 58 W 4.4028 9.8700 119.7173 59.4391 28.8716 175.6777 59 C 5.0388 7.5355 110.2198 58.7043 29.5410 169.6209 64 H 5.1078 7.9457 117.1079 56.1276 29.7684 174.9574 65 V 4.8700 9.0243 114.8492 59.7484 36.6938 174.1612 66 L 4.8943 8.4562 121.4356 53.3824 42.9961 177.7075 66A K 4.2526 8.7971 125.9450 55.2666 31.6560 173.8314 67 N 3.9606 8.5800 122.1760 54.5073 36.4114 174.9333 68 R 3.8994 8.1246 115.2029 55.9714 29.2626 176.0350 69 R 4.4525 7.3690 118.8132 53.7407 31.4050 174.6767 70 L 4.4997 8.4644 128.0058 55.6061 42.9839 175.4769 71 T 4.7231 8.9316 121.9247 61.8272 70.8064 171.6596 72 W 5.9487 8.0600 115.7163 56.3715 31.1568 173.1495 73 E 4.0130 8.6441 118.9148 55.3536 31.9204 174.4549 74 Y 5.0114 8.1908 121.1938 58.4394 39.6695 175.4427 75 C 5.3051 8.8885 118.9782 54.7984 43.6260 173.6530 76 D 4.5202 8.0262 118.0619 53.4928 38.9997 176.8707 77 V 3.2851 7.1440 119.3168 63.5732 32.0663 173.6411 78 P 4.5549 0.0000 0.0000 62.4468 32.6673 175.6388 79 S 3.7289 8.2957 117.4749 58.0906 62.9888 174.4704 80 C 4.3401 8.4607 123.3830 58.5512 40.4686 174.9373 81 S 4.5802 7.4313 117.4978 57.3930 65.7802 180.1428 82 T 4.2282 8.2144 116.4559 60.1765 69.2361 170.6677 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 S 8.43 4.44 0.00 3.65 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 D 8.72 4.99 0.00 2.73 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 1 C 8.12 6.12 0.00 2.82 2.94 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 2 Y 8.08 5.19 0.00 3.04 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 3 F 9.08 4.54 0.00 3.19 3.08 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 0.00 0.00 0.00 4 G 9.21 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 5 N 9.55 4.97 0.00 3.09 3.11 0.00 0.00 5.95 6.94 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 6 G 9.21 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 0.00 0.00 0.00 7 S 8.56 4.32 0.00 4.01 4.07 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 8 A 7.94 4.33 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 9 Y 8.03 4.30 0.00 2.93 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 4.39 0.00 1.66 1.73 0.00 3.37 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 11 G 5.61 3.18 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 0.00 12 T 7.74 2.78 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 13 H 8.78 4.12 0.00 3.38 3.38 0.00 5.55 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.51 4.96 0.00 4.30 4.31 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 0.00 0.00 0.00 0.00 15 L 7.91 5.15 0.00 1.73 1.63 0.95 0.74 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 16 T 8.53 4.65 4.48 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 1.30 0.00 0.00 17 E 8.94 3.96 0.00 2.00 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 0.00 2.40 2.51 0.00 18 S 7.96 4.43 0.00 3.98 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 19 G 8.39 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.69 4.37 1.27 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 0.00 0.00 21 S 8.04 5.25 0.00 3.97 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 22 C 8.76 4.51 0.00 2.98 2.79 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 23 L 8.31 4.48 0.00 1.51 1.48 0.91 0.94 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 24 P 0.00 4.32 0.00 2.40 2.12 0.00 3.37 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 2.03 2.06 0.00 25 W 8.93 4.53 0.00 3.61 3.08 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 0.00 0.00 0.00 26 N 7.87 4.94 0.00 2.80 2.90 0.00 0.00 6.02 7.64 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 27 S 7.83 4.11 0.00 3.97 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 28 M 8.74 4.14 0.00 2.12 2.10 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 2.69 2.56 0.00 29 I 7.83 3.71 1.86 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 1.41 0.45 0.91 0.00 0.00 30 L 8.01 4.45 0.00 1.83 1.64 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.50 4.16 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 1.23 0.62 0.91 0.00 0.00 32 G 8.94 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 0.00 0.00 0.00 0.00 33 K 7.52 4.33 0.00 1.96 1.81 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.48 7.81 34 V 8.38 3.47 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 0.01 0.00 0.00 0.82 0.00 0.00 35 Y 7.90 4.68 0.00 3.51 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 37 T 8.01 5.06 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 38 A 10.05 3.74 1.40 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 *40 Q 7.84 4.48 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.18 1.89 0.00 41 N 8.01 4.43 0.00 2.85 2.76 0.00 0.00 6.80 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.31 0.00 2.20 2.16 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 43 S 8.58 4.61 0.00 3.83 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 44 A 8.21 3.90 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 44A Q 8.22 3.90 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 44B A 7.96 4.11 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 44C L 7.51 4.29 0.00 1.74 1.58 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.92 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 0.00 0.00 0.00 46 L 7.31 3.97 0.00 1.31 0.88 0.68 -1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.38 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 48 K 8.71 4.46 0.00 1.75 1.80 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 48A H 6.95 4.39 0.00 2.21 3.07 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.07 4.97 0.00 2.70 2.77 0.00 0.00 6.04 7.55 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 50 Y 7.94 5.15 0.00 2.91 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 51 C 9.22 4.83 0.00 2.97 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 0.00 52 R 8.26 4.66 0.00 1.15 1.42 0.00 3.11 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.19 0.00 53 N 8.09 5.28 0.00 2.66 2.76 0.00 0.00 6.64 7.71 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 54 P 0.00 4.25 0.00 1.65 1.84 0.00 3.62 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.24 0.00 55 D 7.72 4.66 0.00 2.62 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 0.00 0.00 0.00 56 G 7.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.38 5.16 0.00 2.73 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 58 A 9.86 4.06 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.51 4.81 0.00 1.17 1.65 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.52 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.91 1.37 7.81 57 P 0.00 4.94 0.00 2.30 2.19 0.00 2.20 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 58 W 9.87 4.40 0.00 2.70 3.15 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 59 C 7.54 5.04 0.00 2.26 2.83 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 64 H 7.95 5.11 0.00 3.00 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 9.02 4.87 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 0.92 0.00 0.00 66 L 8.46 4.89 0.00 1.50 1.58 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 66A K 8.80 4.25 0.00 1.66 1.71 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.42 7.81 67 N 8.58 3.96 0.00 2.95 2.78 0.00 0.00 7.08 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 68 R 8.12 3.90 0.00 2.00 2.04 0.00 3.21 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 69 R 7.37 4.45 0.00 1.84 1.93 0.00 3.09 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 70 L 8.46 4.50 0.00 1.64 1.60 0.95 0.97 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 71 T 8.93 4.72 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 72 W 8.06 5.95 0.00 3.66 3.09 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 0.00 0.00 0.00 73 E 8.64 4.01 0.00 1.83 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 2.06 2.05 0.00 74 Y 8.19 5.01 0.00 3.00 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 75 C 8.89 5.31 0.00 2.88 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 76 D 8.03 4.52 0.00 2.85 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 77 V 7.14 3.29 1.77 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 0.54 0.00 0.00 0.44 0.00 0.00 78 P 0.00 4.55 0.00 2.08 2.12 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.97 0.00 79 S 8.30 3.73 0.00 3.38 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.46 4.34 0.00 1.72 2.51 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 0.00 0.00 0.00 0.00 81 S 7.43 4.58 0.00 3.56 3.57 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 0.00 82 T 8.21 4.23 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 * Residues marked with a * may have inaccurate shift predictions.