NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5030 8.2893 120.3267 54.9807 33.1371 178.0759 2 I 4.3235 8.5981 116.9276 58.8002 40.1990 173.5638 3 R 3.9100 8.8070 122.7113 57.2438 30.2612 177.6926 4 E 4.3684 8.2911 127.3879 54.4472 28.5494 175.2323 5 E 4.5145 7.0430 118.7826 55.2751 31.8303 176.3300 6 R 3.6303 8.3949 126.4876 58.8632 26.8100 179.1801 7 L 3.2172 7.6357 116.6289 56.4445 43.0418 178.3723 8 L 4.0941 7.2773 119.3135 57.8792 42.9064 178.5136 9 K 4.4989 7.9575 118.8820 56.7984 32.3130 178.8389 10 V 3.8015 8.3662 113.7831 64.0085 31.8717 177.5990 11 L 4.5855 7.6686 117.7641 56.8824 43.3036 175.2582 12 R 4.2967 7.8546 127.7141 58.0789 33.8125 178.4050 13 A 4.5086 8.2657 117.3243 50.0947 20.0263 176.2129 14 P 4.7871 0.0000 0.0000 62.7143 32.5925 175.5678 15 H 4.5396 8.7686 117.2779 56.4778 31.2072 172.5524 16 V 3.2488 8.0105 121.1195 60.5673 32.0063 172.7800 17 S 4.7790 8.0642 115.5692 58.8273 66.4274 175.9358 18 E 3.9010 7.1382 115.4573 59.9668 29.9385 179.0976 19 K 3.6911 8.2424 116.8999 59.6306 32.4029 177.4258 20 A 4.0493 6.9219 116.0878 52.8400 18.8212 175.7443 21 S 4.1154 8.6057 116.7683 60.3470 61.1244 174.1310 22 T 3.9264 7.4236 106.8660 63.2523 68.4019 175.0695 23 A 3.9512 7.0891 126.7604 54.9631 18.6282 178.5898 24 M 4.4027 8.0412 119.0632 56.1648 32.7522 177.3553 25 E 4.4671 7.5214 116.6072 56.7731 30.9345 177.0564 26 K 4.6204 7.9852 122.3853 55.4346 30.4535 178.9173 27 S 4.2776 8.7154 125.2207 59.4099 62.8404 173.8630 28 N 5.0993 8.3555 119.6510 53.2189 35.6959 176.5937 29 T 4.5932 7.6703 110.2894 61.1540 70.3365 174.3395 30 I 4.4400 7.5857 130.8739 62.0580 40.1544 173.5609 31 V 3.8546 8.2803 111.0757 59.9759 32.2244 174.3177 32 L 4.2421 9.4317 135.0000 54.1110 39.0240 173.2356 33 K 4.9851 8.3252 122.0286 56.6450 31.8720 176.7803 34 V 4.0301 8.2407 126.1795 62.4138 32.2791 175.3983 35 A 4.2235 8.3716 127.6794 51.6480 19.0858 178.6746 36 K 3.5927 8.9200 118.9420 60.0020 32.7826 178.3333 37 D 4.6337 7.3620 118.3968 53.7244 38.6922 175.4653 38 A 3.8608 7.1867 123.3677 49.3716 19.3302 175.1131 39 T 3.2709 7.9675 119.4766 60.3114 68.7426 172.8420 40 K 3.9314 8.7405 126.5323 60.0812 31.9333 177.9947 41 A 4.2816 8.1523 119.9342 55.3709 18.0480 178.5210 42 E 4.0296 8.3239 116.5899 57.9173 28.7209 178.0504 43 I 4.2933 7.6525 118.3880 63.4282 37.9221 177.5724 44 K 4.0933 9.0837 121.2475 59.2742 32.0284 178.5420 45 A 4.4699 7.9044 120.0229 54.2652 18.7170 178.5606 46 A 4.2071 7.1616 113.7638 52.7906 18.4922 178.4559 47 V 4.4441 7.4563 115.2418 62.0477 33.9873 176.1273 48 Q 4.4867 7.8247 119.3792 57.2995 30.2070 176.3246 49 K 4.8932 7.7192 118.4376 55.1213 32.0256 175.9677 50 L 4.6187 7.6840 119.2530 55.8446 48.9075 174.9933 51 F 4.5059 8.0394 113.3234 56.3323 39.2310 175.1506 52 E 3.8754 8.2780 118.4530 57.5101 26.8314 174.5362 53 V 4.3568 7.2870 110.3263 59.4089 34.4972 175.7235 54 E 4.1552 8.8295 124.5676 55.9463 29.1005 176.3364 55 V 4.3008 8.0977 123.6433 61.5123 33.4573 174.9423 56 E 4.5014 8.0500 123.2777 57.8147 31.1252 176.8806 57 V 4.4497 7.1245 109.0610 60.3475 35.5892 172.6788 58 V 4.9184 8.0050 120.1155 61.5482 34.8963 174.3777 59 N 4.7208 8.3467 117.0010 54.7494 41.5535 172.9960 60 T 4.0734 8.2623 111.0727 61.1791 70.5109 171.1997 61 L 4.6240 8.5635 125.6536 54.0607 42.1241 176.1945 62 V 4.4099 7.6862 115.2058 59.3861 39.6813 172.8289 63 V 3.3842 7.8342 125.2978 62.5190 32.2580 171.4894 64 K 4.8095 8.2145 121.6546 55.3329 36.4220 175.6293 65 G 4.4001 9.5851 109.0793 45.4103 0.0000 172.1562 66 K 4.8615 7.5249 129.7972 56.4525 32.7725 174.2931 67 V 4.5349 7.3915 125.5456 60.9320 35.2740 174.4153 68 K 4.6664 8.1154 119.7522 54.2758 30.6679 175.0074 69 R 3.8875 7.4132 121.7260 58.9086 31.1193 175.5818 70 H 4.4522 8.4837 118.1259 57.1177 31.9135 174.6285 71 G 3.9716 6.9562 106.8836 45.0992 0.0000 177.0160 72 Q 4.5170 8.6660 121.0217 55.0886 30.7363 175.6362 73 R 4.1237 9.0246 117.1646 56.4840 27.6725 176.4643 74 I 4.6158 7.5746 117.7284 58.5281 40.9691 174.8068 75 G 4.6330 8.0568 119.5651 45.7352 0.0000 171.6160 76 R 4.4935 7.4125 125.9198 55.5934 33.5011 173.1248 77 R 4.9579 8.1947 122.0075 56.8624 29.8058 176.2533 78 S 4.5676 9.0816 111.4648 59.1863 70.0800 172.8271 79 D 4.5494 8.5393 124.3407 53.6678 40.3743 172.4258 80 W 4.9910 7.9495 129.8176 57.2079 34.5419 173.0520 81 K 4.3606 9.3951 116.6441 55.9207 34.7821 173.9247 82 K 4.9901 8.5961 127.0637 55.3422 34.2566 175.4757 83 A 5.0454 8.1668 123.8187 50.9435 21.6331 174.3011 84 Y 4.1906 8.8116 113.1525 58.0703 40.3261 175.4618 85 V 4.3225 8.2725 115.4209 60.5458 31.4980 171.4944 86 T 5.2409 7.9892 109.7926 60.2858 72.1150 173.3577 87 L 4.7620 7.9016 120.0551 54.4958 44.2526 180.1571 88 K 4.5230 8.6280 123.8521 56.4886 35.9128 174.5821 89 E 4.2130 9.4497 122.0132 57.5723 29.5856 177.2607 90 G 4.0948 7.8662 106.4977 45.5385 0.0000 173.8524 91 Q 4.3987 8.2670 119.1301 54.5212 30.5284 173.3960 92 N 5.3133 8.2417 121.0546 51.2336 41.6817 174.9051 93 L 4.7180 8.0801 119.6189 56.2445 41.5187 176.0931 94 D 4.0540 8.9869 115.0954 60.0535 38.2115 176.2226 95 F 3.1575 7.8477 112.6181 59.4514 37.4767 175.7399 96 V 3.9938 8.0047 125.8098 59.3499 29.8805 176.4663 97 G 4.3423 8.7269 111.3751 45.2342 0.0000 167.2464 98 G 3.7662 8.2898 114.4855 43.5976 0.0000 175.3107 99 A 4.0667 7.9852 127.9937 52.8655 24.2723 177.9887 *100 E 4.1583 8.9035 111.3528 56.5294 30.4955 171.6804 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 8.29 4.50 0.00 2.02 1.45 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 I 8.60 4.32 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 0.79 0.91 0.00 0.00 3 R 8.81 3.91 0.00 1.82 1.99 0.00 3.35 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 4 E 8.29 4.37 0.00 2.07 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 2.21 2.37 0.00 5 E 7.04 4.51 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 6 R 8.39 3.63 0.00 1.94 1.92 0.00 3.19 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 7 L 7.64 3.22 0.00 1.72 1.70 0.93 0.71 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 8 L 7.28 4.09 0.00 1.73 1.60 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.96 4.50 0.00 1.71 1.77 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.42 7.81 10 V 8.37 3.80 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 1.08 0.00 0.00 0.95 0.00 0.00 11 L 7.67 4.59 0.00 1.63 1.66 0.92 0.63 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 12 R 7.85 4.30 0.00 1.80 0.96 0.00 3.21 0.00 0.00 3.19 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 13 A 8.27 4.51 1.23 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 0.00 0.00 0.00 14 P 0.00 4.79 0.00 2.10 2.06 0.00 3.68 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 2.10 2.13 0.00 15 H 8.77 4.54 0.00 3.16 3.29 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.01 3.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 17 S 8.06 4.78 0.00 4.14 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 18 E 7.14 3.90 0.00 2.09 1.97 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 2.34 2.44 0.00 19 K 8.24 3.69 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.54 1.43 7.81 20 A 6.92 4.05 1.34 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 21 S 8.61 4.12 0.00 4.07 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 22 T 7.42 3.93 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 23 A 7.09 3.95 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 24 M 8.04 4.40 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.06 0.00 25 E 7.52 4.47 0.00 2.22 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 2.32 2.32 0.00 26 K 7.99 4.62 0.00 1.74 1.14 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.76 7.81 27 S 8.72 4.28 0.00 3.85 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 28 N 8.36 5.10 0.00 2.66 2.81 0.00 0.00 6.91 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 29 T 7.67 4.59 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 1.29 0.00 0.00 30 I 7.59 4.44 1.79 0.00 0.00 0.76 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 0.88 0.85 0.00 0.00 31 V 8.28 3.85 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 0.64 0.00 0.00 0.99 0.00 0.00 32 L 9.43 4.24 0.00 1.87 1.69 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.33 4.99 0.00 2.05 2.21 0.00 1.00 0.00 0.00 2.07 0.00 0.00 2.19 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.39 1.35 7.81 34 V 8.24 4.03 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 0.88 0.00 0.00 0.98 0.00 0.00 35 A 8.37 4.22 1.24 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 0.00 0.00 0.00 36 K 8.92 3.59 0.00 1.78 1.95 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.53 7.81 37 D 7.36 4.63 0.00 2.62 2.66 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 0.00 0.00 0.00 38 A 7.19 3.86 1.24 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 0.00 0.00 0.00 39 T 7.97 3.27 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 40 K 8.74 3.93 0.00 1.86 1.94 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.61 7.81 41 A 8.15 4.28 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 42 E 8.32 4.03 0.00 1.99 2.44 0.00 0.00 0.00 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 2.37 0.00 43 I 7.65 4.29 1.99 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 1.55 1.10 0.89 0.00 0.00 44 K 9.08 4.09 0.00 1.74 1.79 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 45 A 7.90 4.47 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.16 4.21 1.34 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 47 V 7.46 4.44 1.97 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 0.84 0.00 0.00 0.48 0.00 0.00 48 Q 7.82 4.49 0.00 2.69 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.15 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 49 K 7.72 4.89 0.00 1.95 1.86 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.38 7.81 50 L 7.68 4.62 0.00 1.62 1.77 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.04 4.51 0.00 3.21 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 52 E 8.28 3.88 0.00 2.10 2.03 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 2.21 2.29 0.00 53 V 7.29 4.36 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 0.98 0.00 0.00 54 E 8.83 4.16 0.00 1.96 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 2.32 2.30 0.00 55 V 8.10 4.30 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 0.89 0.00 0.00 1.01 0.00 0.00 56 E 8.05 4.50 0.00 1.89 1.96 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 2.25 2.41 0.00 57 V 7.12 4.45 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 0.63 0.00 0.00 0.94 0.00 0.00 58 V 8.00 4.92 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 0.86 0.00 0.00 0.92 0.00 0.00 59 N 8.35 4.72 0.00 2.66 2.62 0.00 0.00 6.96 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 60 T 8.26 4.07 4.28 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 1.23 0.00 0.00 61 L 8.56 4.62 0.00 1.56 1.33 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.69 4.41 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 0.63 0.00 0.00 0.90 0.00 0.00 63 V 7.83 3.38 1.55 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 0.21 0.00 0.00 0.47 0.00 0.00 64 K 8.21 4.81 0.00 1.74 1.70 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.72 7.81 65 G 9.59 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 66 K 7.52 4.86 0.00 1.84 1.91 0.00 1.45 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.21 1.19 7.81 67 V 7.39 4.53 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 0.96 0.00 0.00 0.96 0.00 0.00 68 K 8.12 4.67 0.00 1.70 1.68 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.70 7.81 69 R 7.41 3.89 0.00 1.83 1.86 0.00 3.30 0.00 0.00 3.16 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 70 H 8.48 4.45 0.00 3.10 3.23 0.00 6.01 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 71 G 6.96 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 72 Q 8.67 4.52 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 5.87 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 73 R 9.02 4.12 0.00 1.99 2.14 0.00 3.15 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 74 I 7.57 4.62 2.15 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.03 0.95 0.00 0.00 75 G 8.06 4.63 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 0.00 0.00 0.00 76 R 7.41 4.49 0.00 1.74 1.78 0.00 3.09 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 77 R 8.19 4.96 0.00 1.83 1.72 0.00 3.48 0.00 0.00 3.27 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 78 S 9.08 4.57 0.00 3.93 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 79 D 8.54 4.55 0.00 2.87 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 80 W 7.95 4.99 0.00 3.44 3.28 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 81 K 9.40 4.36 0.00 1.94 1.89 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.56 1.46 7.81 82 K 8.60 4.99 0.00 1.81 1.82 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.66 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.55 1.17 7.81 83 A 8.17 5.05 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 84 Y 8.81 4.19 0.00 2.89 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 85 V 8.27 4.32 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 0.90 0.00 0.00 0.87 0.00 0.00 86 T 7.99 5.24 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 1.25 0.00 0.00 87 L 7.90 4.76 0.00 1.72 0.81 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.63 4.52 0.00 1.65 1.65 0.00 1.85 0.00 0.00 1.99 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.31 7.81 89 E 9.45 4.21 0.00 2.09 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 2.29 2.26 0.00 90 G 7.87 4.09 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 0.00 0.00 0.00 91 Q 8.27 4.40 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 92 N 8.24 5.31 0.00 2.70 2.78 0.00 0.00 6.95 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 93 L 8.08 4.72 0.00 1.66 1.67 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.99 4.05 0.00 2.80 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 95 F 7.85 3.16 0.00 3.13 3.21 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 96 V 8.00 3.99 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 0.67 0.00 0.00 0.86 0.00 0.00 97 G 8.73 4.34 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 98 G 8.29 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 0.00 0.00 0.00 99 A 7.99 4.07 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 *100 E 8.90 4.16 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.