NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3534 8.2549 119.0753 54.9577 29.9791 174.4549 8 P 2.9700 0.0000 0.0000 60.5031 31.8293 174.2996 9 N 4.9679 7.7403 120.4530 52.0783 43.6376 173.5570 10 H 4.4072 9.1214 118.8872 59.1805 29.9329 175.5340 11 T 5.5274 8.3543 114.8539 61.7366 70.4767 173.8454 12 I 4.5834 8.3850 119.3668 60.0311 40.3258 174.2931 13 Y 4.1268 8.8376 127.5925 56.3085 39.1039 173.5783 14 I 4.3378 8.2074 128.3683 60.4952 38.5212 174.8028 15 N 4.6933 8.0330 126.9158 51.2967 40.7700 173.8729 16 N 4.3637 8.5155 113.7370 54.9854 37.3832 174.2416 17 L 4.6681 7.3917 114.3765 52.5727 43.1803 176.4725 18 N 4.3681 8.5923 120.1983 53.9819 39.0124 175.4219 19 E 4.2077 8.6975 124.6613 57.6125 29.9427 177.4456 20 K 4.2250 8.1386 117.6238 56.7735 32.5987 176.9562 21 I 4.0364 6.8133 119.7046 60.0793 38.3745 176.4313 22 K 4.2694 8.0855 122.5117 55.4392 34.3218 178.1734 23 K 3.8288 8.5504 122.8469 60.0837 32.1281 178.7328 24 D 4.3441 8.0107 117.5799 57.0428 41.2589 177.5944 25 E 3.9295 8.0695 119.3998 59.3894 29.8444 178.4811 26 L 4.3618 8.4986 120.8233 57.6313 42.0210 178.6897 27 K 4.2454 8.1181 118.5492 59.1081 32.9303 179.3502 28 K 4.0438 8.2023 119.7725 59.3785 32.1543 179.3544 29 S 4.3291 8.8487 115.7597 61.7101 62.8156 176.6979 30 L 3.9848 8.1294 121.0929 58.2416 41.4510 178.8350 31 H 4.0241 8.5120 117.8294 59.4653 29.4758 176.7322 32 A 4.0690 8.2825 121.4149 55.3419 18.2570 179.3875 33 I 3.5767 7.3628 116.4673 64.3899 37.4296 178.0936 34 F 4.8473 8.2689 116.2367 58.0989 38.6029 177.9728 35 S 4.2120 7.9873 116.3907 61.5629 62.4110 176.5694 36 R 3.8842 7.8888 117.3025 58.9578 29.0213 178.2974 37 F 4.4625 7.9691 118.2115 58.5360 39.4168 175.3792 38 G 4.0730 7.5538 103.9679 45.1741 0.0000 171.6531 39 Q 4.1519 8.1682 120.4013 56.4968 30.0590 175.1092 40 I 4.4820 8.2493 126.8679 59.9968 38.2743 175.4894 41 L 4.2782 8.7117 127.9433 57.3888 42.4420 176.6899 42 D 4.6810 7.6902 115.5597 53.2141 44.9107 173.7922 43 I 4.9201 8.2640 123.2030 59.5613 39.8807 174.9146 44 L 4.6942 8.7342 127.5080 53.5894 43.6768 176.1540 45 V 4.8053 8.1579 122.0004 61.9152 34.4273 173.3152 46 S 4.7678 8.8332 121.3330 56.7329 65.3770 173.0164 47 R 4.5442 8.4380 124.2205 55.9424 30.2050 176.2666 48 S 4.4077 7.7024 111.6209 57.2033 63.9176 174.6525 49 L 3.9026 8.7365 123.7038 58.5908 41.8421 178.9270 50 K 4.1328 8.1513 115.7426 59.8513 32.0903 177.9438 51 M 4.6082 7.5846 114.8367 55.2435 32.3118 176.6931 52 R 4.0563 7.9987 121.1695 57.5880 30.8948 176.3595 53 G 3.8978 9.2519 112.4459 46.0613 0.0000 172.2138 54 Q 5.0088 7.5829 115.8884 54.1032 33.2594 174.1416 55 A 4.7426 8.2308 119.4332 51.2884 23.4920 175.5466 56 F 5.0428 8.8970 119.0579 55.8004 42.2413 174.7379 57 V 4.3207 8.2614 125.2080 61.1134 32.9368 174.9331 58 I 4.4368 8.2380 130.5308 61.0713 37.7924 175.5718 59 F 4.9933 8.3666 125.2309 56.0036 39.9584 176.5596 60 K 4.2388 8.8577 123.2406 58.5911 33.0178 176.9896 61 E 4.7375 8.2273 119.6407 54.0099 32.2816 176.4316 62 V 3.5424 8.8082 117.8758 65.0556 31.0873 178.4701 63 S 4.0322 7.9762 112.3582 61.6266 62.3692 176.4755 64 S 4.1111 7.9197 116.0793 61.0816 62.8927 176.1582 65 A 3.5913 7.4545 123.7170 54.7080 18.0635 179.6916 66 T 4.2400 7.8030 115.9516 66.5678 68.5952 176.7289 67 N 4.2820 7.7274 117.0490 56.1606 38.5107 176.8481 68 A 2.5800 7.7970 122.4558 55.0726 18.1491 179.4091 69 L 3.8944 7.4492 117.6283 58.1581 42.1670 179.3412 70 R 4.0435 7.8400 117.3970 58.4712 30.0883 178.2126 71 S 4.5820 7.8791 113.5951 60.2503 63.9676 175.5177 72 M 4.4831 8.0000 119.6246 53.8235 31.7208 175.4431 73 Q 4.1247 7.5935 121.7465 57.2523 29.4425 176.1687 74 G 3.8551 9.0842 113.4494 45.7942 0.0000 172.8791 75 F 4.0741 8.1791 123.0570 57.0252 39.3045 172.9678 76 P 4.5731 0.0000 0.0000 62.8263 31.8116 176.0898 77 F 4.5785 9.2713 125.5527 58.3021 42.0116 173.6389 78 Y 3.6706 8.4699 127.8511 59.4849 35.0684 170.6743 79 D 4.5163 8.3240 113.4301 54.7887 39.1199 174.1033 80 K 4.7960 7.7871 118.2375 53.8403 36.4645 173.8098 81 P 4.8733 0.0000 0.0000 62.4712 31.9690 176.0220 82 M 4.1963 8.7664 124.9108 55.9340 33.3051 175.5384 83 R 4.9838 8.7587 122.9775 55.0257 32.5242 174.9883 84 I 5.0322 8.2214 125.3783 59.8086 40.9720 174.4945 85 Q 4.6329 8.7358 124.0327 54.1306 33.9481 173.6977 86 Y 4.8364 8.3517 116.6789 57.3582 39.3652 175.6574 87 A 4.4062 9.2634 127.9350 53.1152 18.8457 178.9124 88 K 4.0904 8.9563 122.8791 57.2459 32.1698 177.4768 89 T 4.7866 7.3985 106.9368 58.7602 71.6049 173.2507 90 D 4.4953 8.4247 121.8570 54.2016 41.4950 176.9979 91 S 4.2202 8.5853 119.6938 58.4809 63.5395 175.3282 92 D 4.3370 8.6064 124.4794 56.0272 38.9929 178.2538 93 I 3.8070 7.6953 118.6809 63.0685 38.1090 176.6297 94 I 4.0719 7.6464 119.4919 63.3150 37.6447 177.4238 95 A 4.1559 7.9769 123.0325 55.5039 18.4304 177.9582 96 K 3.9898 8.1751 122.5639 55.2249 31.7544 178.2051 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 *7 R 8.25 4.35 0.00 1.85 1.85 0.00 3.24 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.74 1.36 0.00 3.44 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 9 N 7.74 4.97 0.00 2.62 2.75 0.00 0.00 7.11 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 9.12 4.41 0.00 3.25 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.35 5.53 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 1.47 0.00 0.00 12 I 8.38 4.58 1.79 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.37 0.87 0.00 0.00 13 Y 8.84 4.13 0.00 2.81 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 14 I 8.21 4.34 1.64 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.22 0.91 0.00 0.00 15 N 8.03 4.69 0.00 2.61 2.33 0.00 0.00 6.23 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 16 N 8.52 4.36 0.00 2.82 2.98 0.00 0.00 6.81 7.78 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 17 L 7.39 4.67 0.00 1.73 1.68 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.59 4.37 0.00 2.75 2.52 0.00 0.00 7.05 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 19 E 8.70 4.21 0.00 1.98 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 2.31 2.46 0.00 20 K 8.14 4.22 0.00 2.05 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.44 1.27 7.81 21 I 6.81 4.04 1.54 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.36 0.46 0.00 0.00 22 K 8.09 4.27 0.00 1.78 1.70 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.45 7.81 23 K 8.55 3.83 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.63 7.81 24 D 8.01 4.34 0.00 2.84 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 25 E 8.07 3.93 0.00 2.09 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 0.00 2.50 2.45 0.00 26 L 8.50 4.36 0.00 1.76 1.76 1.13 0.40 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 27 K 8.12 4.25 0.00 2.11 2.10 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.51 7.81 28 K 8.20 4.04 0.00 2.12 1.96 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.61 7.81 29 S 8.85 4.33 0.00 4.33 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 0.00 30 L 8.13 3.98 0.00 2.04 1.83 1.04 1.29 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 31 H 8.51 4.02 0.00 3.43 3.53 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.28 4.07 1.45 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 33 I 7.36 3.58 1.73 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.49 -0.40 0.00 0.00 34 F 8.27 4.85 0.00 3.05 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 35 S 7.99 4.21 0.00 3.87 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 36 R 7.89 3.88 0.00 1.67 1.83 0.00 2.21 0.00 0.00 2.77 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.00 37 F 7.97 4.46 0.00 3.26 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 38 G 7.55 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 0.00 0.00 0.00 39 Q 8.17 4.15 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 40 I 8.25 4.48 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.67 0.77 0.00 0.00 41 L 8.71 4.28 0.00 1.51 1.71 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.69 4.68 0.00 2.67 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.92 1.90 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 1.26 0.81 0.93 0.00 0.00 44 L 8.73 4.69 0.00 1.67 1.60 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.16 4.81 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 0.74 0.00 0.00 0.99 0.00 0.00 46 S 8.83 4.77 0.00 3.85 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 47 R 8.44 4.54 0.00 1.77 1.87 0.00 3.32 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 48 S 7.70 4.41 0.00 4.01 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 49 L 8.74 3.90 0.00 1.61 1.79 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.15 4.13 0.00 1.82 1.89 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 51 M 7.58 4.61 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 52 R 8.00 4.06 0.00 1.88 1.98 0.00 3.31 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 53 G 9.25 3.90 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 0.00 0.00 0.00 54 Q 7.58 5.01 0.00 2.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 55 A 8.23 4.74 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.90 5.04 0.00 3.03 3.01 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 57 V 8.26 4.32 1.75 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 0.21 0.00 0.00 0.59 0.00 0.00 58 I 8.24 4.44 1.85 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 1.27 0.43 0.94 0.00 0.00 59 F 8.37 4.99 0.00 3.02 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 60 K 8.86 4.24 0.00 1.88 1.94 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.62 7.81 61 E 8.23 4.74 0.00 2.05 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 2.33 2.26 0.00 62 V 8.81 3.54 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 0.49 0.00 0.00 0.85 0.00 0.00 63 S 7.98 4.03 0.00 3.87 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 64 S 7.92 4.11 0.00 3.69 4.16 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 65 A 7.45 3.59 1.45 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 66 T 7.80 4.24 4.39 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 1.29 0.00 0.00 67 N 7.73 4.28 0.00 3.05 3.11 0.00 0.00 6.95 6.96 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 68 A 7.80 2.58 0.98 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 69 L 7.45 3.89 0.00 1.37 1.51 0.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.84 4.04 0.00 1.97 1.95 0.00 3.19 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 71 S 7.88 4.58 0.00 4.02 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 72 M 8.00 4.48 0.00 1.62 2.12 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 2.14 0.00 73 Q 7.59 4.12 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 74 G 9.08 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 75 F 8.18 4.07 0.00 3.09 2.97 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 76 P 0.00 4.57 0.00 1.76 1.86 0.00 2.95 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 1.80 1.94 0.00 77 F 9.27 4.58 0.00 3.36 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 78 Y 8.47 3.67 0.00 2.99 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 79 D 8.32 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 80 K 7.79 4.80 0.00 1.78 1.69 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.60 7.81 81 P 0.00 4.87 0.00 2.09 2.08 0.00 3.81 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 2.00 2.00 0.00 82 M 8.77 4.20 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00 83 R 8.76 4.98 0.00 1.88 1.98 0.00 3.05 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 84 I 8.22 5.03 1.77 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.77 0.74 0.00 0.00 85 Q 8.74 4.63 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 86 Y 8.35 4.84 0.00 2.95 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 87 A 9.26 4.41 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.96 4.09 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.99 7.81 89 T 7.40 4.79 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 90 D 8.42 4.50 0.00 2.68 2.63 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 91 S 8.59 4.22 0.00 3.87 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 92 D 8.61 4.34 0.00 2.87 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 93 I 7.70 3.81 1.85 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 1.63 0.80 0.89 0.00 0.00 94 I 7.65 4.07 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 0.63 0.00 0.00 95 A 7.98 4.16 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 96 K 8.18 3.99 0.00 1.76 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.29 7.81 * Residues marked with a * may have inaccurate shift predictions.