NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.8269 8.3481 122.9780 52.1244 20.2543 175.7164 4 K 4.6351 7.9637 120.3676 55.8141 36.7380 175.0111 5 G 3.8622 9.2748 108.9021 46.7892 0.0000 176.8436 6 L 4.8019 8.3301 123.9016 54.1460 41.1595 176.6255 7 I 4.9239 8.8442 118.6270 61.1019 39.8097 175.7798 8 R 5.1732 7.7527 122.4068 54.8535 33.9428 173.8135 9 I 5.0936 9.4176 126.1763 59.8868 42.0123 174.0566 10 V 5.0259 9.3156 127.1936 60.9773 34.2201 174.1705 11 L 5.2818 9.0138 127.7539 54.0946 44.4310 174.7034 12 D 5.3002 8.7726 121.5501 52.1651 41.4656 175.2642 13 I 4.8614 8.4333 116.2967 58.6972 41.0020 174.7498 14 L 4.6095 8.0999 126.7375 55.3413 43.6064 175.2738 15 K 4.7344 8.2852 122.4160 55.0094 36.3571 173.0972 16 P 4.8560 0.0000 0.0000 61.9604 32.5855 177.0137 17 H 4.5776 8.7604 117.6744 57.3192 28.8644 175.4417 18 E 4.8018 7.7319 118.0758 53.5881 31.6788 174.1824 19 P 4.6287 0.0000 0.0000 61.5951 32.9564 175.4121 20 I 3.5369 8.3366 117.6631 61.1665 38.6408 175.9702 21 I 3.6795 8.7285 126.9997 63.9239 37.5661 176.0658 22 P 4.3109 0.0000 0.0000 65.7538 30.8288 178.0162 23 E 3.9816 8.1152 118.1371 59.8761 29.3937 178.9007 24 Y 3.6022 8.0588 115.6217 60.8107 37.8990 178.6572 25 A 3.9545 8.0011 121.1497 55.0863 18.4031 179.2254 26 K 3.7892 8.3715 117.2075 60.8999 32.3566 177.3585 27 Y 4.2657 8.9629 120.4372 59.1640 38.2537 176.9381 28 L 3.2311 8.7065 121.9137 57.2261 42.0371 179.9460 29 S 3.9532 7.7718 113.9539 61.6261 63.0451 175.7446 30 E 3.9360 8.6561 121.9311 58.1200 29.7264 177.2319 31 L 3.9109 6.9079 118.7986 54.1660 42.1478 176.2904 32 R 3.9264 7.6491 120.5227 59.2659 29.3383 176.5124 33 G 3.9836 8.8012 114.1279 46.0588 0.0000 171.9094 34 V 4.0404 6.9722 119.1254 62.7001 30.9952 175.1144 35 E 4.1369 8.1447 129.2504 57.8674 29.0064 177.1691 36 G 4.4508 7.8982 104.9554 44.3516 0.0000 170.7059 37 V 4.9961 8.2595 119.0416 59.6120 34.5280 174.2496 38 N 5.0281 9.6029 122.2930 51.8136 41.9265 172.9409 39 I 5.1021 8.6693 125.8938 58.8229 40.0127 174.7542 40 T 4.5585 8.2989 117.5646 59.8079 71.3393 174.2868 41 L 4.3520 8.2142 125.6634 54.8537 43.4865 174.9971 *43 E 4.1806 8.4563 121.1589 56.1779 31.3509 174.5123 44 I 4.4501 8.0133 122.4004 59.8113 40.0790 174.3817 45 D 4.8442 8.3883 128.1492 52.3014 42.6307 177.7581 46 K 4.1049 8.6223 118.8752 59.5196 32.4421 177.5902 47 E 4.5519 7.5836 115.5484 55.9840 31.3274 174.7107 48 T 4.0420 7.0037 110.7045 62.8995 72.8164 170.5317 49 E 4.7872 7.9005 118.7794 55.5764 33.5418 174.4140 50 N 5.1696 8.5746 127.2227 52.7891 40.3065 174.1762 51 I 4.7862 8.3615 118.0890 59.3232 41.4871 173.9458 52 K 4.6912 8.6130 125.5277 55.7145 34.4922 176.0614 53 V 4.6249 8.2831 124.8528 62.0706 34.3686 173.4083 54 T 4.9131 9.2616 126.2644 62.1233 70.3693 173.9777 55 I 4.8187 9.1951 126.6619 59.1488 41.4167 173.7188 56 Q 4.9649 8.5733 129.1932 54.4458 32.6932 175.2716 57 G 4.1867 8.2253 111.1378 46.0811 0.0000 170.9099 58 N 4.9719 8.2697 117.9453 53.4936 41.3652 175.5403 59 D 4.4476 8.0302 122.2649 55.2473 39.8162 174.2961 60 L 4.2109 7.8370 122.5855 54.9898 42.6323 177.0159 61 D 4.7179 8.5364 122.5142 52.7827 41.4888 176.9362 62 F 4.2769 8.9762 129.1696 60.8237 40.0116 176.2971 63 D 4.4056 8.2678 119.7942 56.2389 41.1572 178.0417 64 E 3.9432 8.1268 118.6893 59.6454 29.5661 179.2261 65 I 3.6494 7.2966 119.0732 64.8730 37.2581 178.3649 66 T 3.7000 7.2127 112.5800 65.0942 67.1323 176.0558 67 R 3.8709 8.0533 119.7706 59.3696 29.9332 178.4245 68 A 4.1408 8.3293 119.1740 55.8778 18.8006 179.5808 69 I 4.0700 8.0260 117.7468 64.3796 37.1380 178.6948 70 E 4.2881 8.6472 121.1764 58.8888 29.2316 179.2338 71 S 4.2484 8.3198 111.9881 60.3125 62.9917 174.6926 72 Y 4.2637 7.7382 118.7350 57.3444 38.9160 175.7112 73 G 4.0340 9.5564 108.4852 45.6240 0.0000 173.3956 74 G 4.5008 8.1279 104.2167 44.2172 0.0000 172.3996 75 S 4.9008 8.6466 115.5142 56.0975 66.2515 173.9611 76 I 4.0670 8.3816 123.0451 61.5015 35.0428 174.9565 77 H 4.5197 8.7071 124.6644 58.7573 29.4105 175.3995 78 S 4.5994 7.8731 109.4931 57.8730 66.6641 176.2335 79 V 4.1835 8.5509 121.5505 61.9957 31.2915 174.9389 80 D 4.6561 8.9882 129.4556 56.5330 41.8731 176.8297 81 E 4.7976 7.7327 115.4129 55.5354 32.9544 174.8959 82 V 4.9238 8.3785 124.4410 61.4271 34.9485 173.8868 83 V 4.5414 9.1061 127.5621 61.0757 33.9744 174.0846 84 A 5.6780 8.2553 127.9595 50.3425 22.4787 174.4321 85 G 3.7007 8.7139 104.0903 44.2762 0.0000 173.2671 86 R 4.9402 8.4432 117.1004 57.9168 32.1243 177.6663 87 T 4.4567 7.9116 106.0717 62.2833 66.9728 175.5450 *89 V 3.8120 8.9269 112.9428 62.7089 32.9699 173.2638 90 E 4.5913 8.4056 125.7328 54.3528 31.4866 175.1596 91 E 4.0459 8.4986 122.0071 56.1284 30.1588 176.4383 92 V 4.1299 8.2529 120.2741 60.2464 32.6277 175.8796 93 T 4.3154 8.2716 115.3654 61.5027 69.9169 173.7101 94 T 4.5729 7.8136 116.0935 60.2361 70.4219 171.6536 95 P 4.4316 0.0000 0.0000 62.8787 31.3070 176.5930 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 3 A 8.35 4.83 1.35 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 0.00 0.00 4 K 7.96 4.64 0.00 2.01 1.86 0.00 1.48 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.56 7.81 5 G 9.27 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 0.00 0.00 0.00 6 L 8.33 4.80 0.00 1.85 1.70 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.84 4.92 1.88 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 1.21 1.38 1.02 0.00 0.00 8 R 7.75 5.17 0.00 1.91 1.75 0.00 3.20 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 9 I 9.42 5.09 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 1.10 0.00 0.00 10 V 9.32 5.03 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 1.10 0.00 0.00 1.01 0.00 0.00 11 L 9.01 5.28 0.00 1.78 1.90 0.94 0.82 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 12 D 8.77 5.30 0.00 2.77 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 13 I 8.43 4.86 1.91 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 1.01 0.90 0.90 0.00 0.00 14 L 8.10 4.61 0.00 1.76 1.41 0.93 0.89 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 15 K 8.29 4.73 0.00 1.75 1.40 0.00 1.22 0.00 0.00 1.46 0.00 0.00 2.51 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.27 1.33 7.81 16 P 0.00 4.86 0.00 2.16 1.97 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 17 H 8.76 4.58 0.00 3.16 3.41 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.73 4.80 0.00 1.99 1.90 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 2.27 2.30 0.00 19 P 0.00 4.63 0.00 2.25 2.13 0.00 4.10 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 20 I 8.34 3.54 1.90 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 1.32 1.33 0.96 0.00 0.00 21 I 8.73 3.68 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.13 0.88 0.00 0.00 22 P 0.00 4.31 0.00 2.32 2.32 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 23 E 8.12 3.98 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 2.56 2.55 0.00 24 Y 8.06 3.60 0.00 3.03 2.87 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 25 A 8.00 3.95 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 K 8.37 3.79 0.00 1.92 2.12 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.58 7.81 27 Y 8.96 4.27 0.00 3.11 2.84 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 28 L 8.71 3.23 0.00 1.81 1.72 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.77 3.95 0.00 4.00 3.98 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 0.00 0.00 0.00 30 E 8.66 3.94 0.00 1.61 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 2.60 2.41 0.00 31 L 6.91 3.91 0.00 1.66 1.54 0.94 0.33 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 32 R 7.65 3.93 0.00 1.77 1.97 0.00 3.24 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 33 G 8.80 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 34 V 6.97 4.04 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 0.86 0.00 0.00 0.96 0.00 0.00 35 E 8.14 4.14 0.00 1.87 1.90 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 2.34 2.27 0.00 36 G 7.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 5.00 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 0.76 0.00 0.00 1.01 0.00 0.00 38 N 9.60 5.03 0.00 2.70 2.66 0.00 0.00 6.77 8.16 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 39 I 8.67 5.10 1.84 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 1.00 1.75 0.86 0.00 0.00 40 T 8.30 4.56 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 41 L 8.21 4.35 0.00 1.66 1.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *43 E 8.46 4.18 0.00 2.11 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 2.27 2.31 0.00 44 I 8.01 4.45 1.87 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 1.44 1.01 0.91 0.00 0.00 45 D 8.39 4.84 0.00 2.85 2.59 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 46 K 8.62 4.10 0.00 1.88 1.97 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 47 E 7.58 4.55 0.00 1.97 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 2.23 2.21 0.00 48 T 7.00 4.04 4.21 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 1.25 0.00 0.00 49 E 7.90 4.79 0.00 2.01 1.62 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 2.10 2.15 0.00 50 N 8.57 5.17 0.00 2.71 2.67 0.00 0.00 7.03 8.00 0.00 0.00 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 I 8.36 4.79 1.92 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.77 0.79 0.00 0.00 52 K 8.61 4.69 0.00 1.87 1.68 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.37 7.81 53 V 8.28 4.62 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 0.91 0.00 0.00 0.89 0.00 0.00 54 T 9.26 4.91 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 55 I 9.20 4.82 1.88 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 1.13 1.49 1.03 0.00 0.00 56 Q 8.57 4.96 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.44 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 57 G 8.23 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 0.00 0.00 0.00 58 N 8.27 4.97 0.00 2.69 2.65 0.00 0.00 7.49 8.37 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 59 D 8.03 4.45 0.00 2.93 2.82 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 60 L 7.84 4.21 0.00 1.79 1.63 1.09 1.01 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 61 D 8.54 4.72 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.98 4.28 0.00 3.12 3.10 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 0.00 0.00 0.00 63 D 8.27 4.41 0.00 2.93 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 64 E 8.13 3.94 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 2.34 2.59 0.00 65 I 7.30 3.65 1.68 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 1.62 1.19 0.88 0.00 0.00 66 T 7.21 3.70 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 0.94 0.00 0.00 67 R 8.05 3.87 0.00 2.25 1.98 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 A 8.33 4.14 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 0.00 0.00 0.00 0.00 0.00 69 I 8.03 4.07 1.96 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 1.64 1.34 1.18 0.00 0.00 70 E 8.65 4.29 0.00 2.11 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 2.34 2.29 0.00 71 S 8.32 4.25 0.00 3.76 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.74 4.26 0.00 2.87 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 0.00 0.00 0.00 0.00 73 G 9.56 4.03 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 0.00 0.00 0.00 74 G 8.13 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 4.90 0.00 3.86 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 76 I 8.38 4.07 1.89 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 1.32 0.41 0.98 0.00 0.00 77 H 8.71 4.52 0.00 3.33 3.36 0.00 5.75 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 78 S 7.87 4.60 0.00 3.85 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 79 V 8.55 4.18 2.13 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 0.82 0.00 0.00 1.21 0.00 0.00 80 D 8.99 4.66 0.00 2.72 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 81 E 7.73 4.80 0.00 1.99 1.72 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 2.19 2.21 0.00 82 V 8.38 4.92 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 0.74 0.00 0.00 0.86 0.00 0.00 83 V 9.11 4.54 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 1.01 0.00 0.00 1.00 0.00 0.00 84 A 8.26 5.68 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 85 G 8.71 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 4.94 0.00 1.78 1.96 0.00 3.01 0.00 0.00 3.81 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 87 T 7.91 4.46 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 *89 V 8.93 3.81 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 0.86 0.00 0.00 0.96 0.00 0.00 90 E 8.41 4.59 0.00 1.98 1.84 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 2.23 2.21 0.00 91 E 8.50 4.05 0.00 1.92 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 2.29 2.32 0.00 92 V 8.25 4.13 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 0.79 0.00 0.00 0.93 0.00 0.00 93 T 8.27 4.32 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 94 T 7.81 4.57 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 95 P 0.00 4.43 0.00 2.08 1.95 0.00 3.76 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 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.