NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7421 8.2085 109.7403 45.3309 0.0000 172.3588 *23 A 4.1521 8.0299 120.5509 51.9380 19.4968 176.2035 24 S 4.5987 8.3358 114.4260 57.3585 63.4712 174.3954 25 I 4.0910 8.2078 125.3070 62.3155 38.2247 176.2195 26 V 3.3443 7.6094 121.0188 61.9127 32.0065 176.1430 27 G 3.7054 7.6296 113.6291 44.6872 0.0000 170.2769 28 S 4.6366 7.4069 115.4394 56.4759 65.1946 173.6501 29 W 5.1757 8.8304 124.4552 54.9908 31.9416 175.1139 30 V 5.3137 9.2550 117.6796 59.6681 35.9708 174.2338 31 E 5.1457 9.4527 119.2760 53.9132 33.3953 173.1321 32 P 4.7965 0.0000 0.0000 62.6731 32.5436 176.3905 33 V 3.8076 8.6322 124.1737 61.9370 32.4283 173.8420 34 P 4.4203 0.0000 0.0000 64.3380 31.5279 176.9939 35 G 3.9563 9.0457 110.3593 45.6512 0.0000 173.6858 36 L 4.5737 7.8877 122.0654 52.4787 42.5631 175.4925 37 E 4.0629 8.4361 118.4339 57.3217 30.1650 176.7776 38 G 4.0781 9.0431 111.8971 44.3564 0.0000 173.2979 39 Q 4.6404 7.5995 118.4733 54.9308 30.7698 175.2991 40 V 5.1907 8.2341 113.9950 59.8785 35.7946 174.6796 41 Q 4.7266 9.3991 120.0707 54.2574 32.3824 174.9756 42 G 4.4215 8.2446 107.7315 46.3484 0.0000 171.6613 43 I 4.9421 7.7069 122.4150 59.3747 42.0161 175.3146 44 K 4.9953 8.7416 130.3349 54.0477 35.5039 174.3036 *46 E 4.5566 8.4067 118.6310 55.8044 31.2269 175.8263 47 E 4.3086 8.8448 121.0091 58.5056 29.9250 177.8644 48 G 3.8903 8.8575 110.9895 44.9745 0.0000 174.4167 49 G 3.2942 8.2171 108.1719 44.5094 0.0000 173.4777 50 V 4.3729 7.5136 119.5044 62.7480 32.1889 174.9643 51 A 5.4072 8.6606 128.7556 50.3891 22.0902 175.4206 52 S 5.0190 8.9034 113.6483 56.6859 66.9523 173.7265 53 S 4.8922 8.9428 117.9834 58.8349 63.8296 173.8463 54 V 4.0088 9.1269 124.4257 61.8356 33.0415 172.7481 55 N 3.9008 8.9017 127.9855 53.8402 36.2662 172.6657 *57 A 4.4190 8.0970 124.4884 51.7769 21.0981 178.2367 58 T 4.1993 7.8456 111.7870 65.7006 70.1205 175.0363 59 L 4.6088 7.8256 121.3968 53.3962 42.9181 176.9365 60 V 4.2319 8.7325 126.1459 61.1912 32.4539 174.5379 61 Y 4.7482 8.8402 125.8187 58.2790 37.8359 175.6797 62 E 4.8279 9.7829 119.5788 57.5814 33.6489 175.7166 63 S 5.0948 7.9959 111.8368 56.9703 66.9024 173.2984 64 W 5.8031 8.6730 116.9953 55.1459 31.5384 174.3869 65 K 4.2188 8.9887 121.1044 55.1642 35.6564 174.1304 66 Q 5.1253 8.7691 127.7256 54.5728 31.6196 174.8930 67 E 4.5498 9.1500 126.2221 54.9000 31.5931 177.3530 68 G 3.8500 8.1092 117.2936 47.1258 0.0000 172.9338 69 T 4.2888 8.5784 116.2758 61.3366 69.2276 173.4020 70 K 4.6915 8.1736 123.6329 55.3097 33.6355 175.1025 71 L 5.1344 8.5425 126.5586 53.3100 45.0375 174.6333 72 I 5.0200 9.1631 127.1827 59.6297 39.8218 174.4068 73 L 5.4993 9.4477 127.7330 53.1597 44.7031 175.8105 74 T 4.9508 9.3241 112.5971 58.4479 72.7286 174.3545 75 G 3.3501 6.1016 106.9831 45.6547 0.0000 171.1943 76 K 5.0893 7.8441 118.2214 55.1485 36.8188 175.3208 77 S 5.1735 9.0928 116.2221 56.7353 65.0215 172.6375 78 I 4.6640 8.5765 129.0014 59.9794 37.8930 175.8817 79 G 4.0371 9.4556 118.5617 46.2660 0.0000 171.4514 80 N 4.2393 9.5203 114.2885 54.2057 36.0446 175.5657 81 G 3.9100 8.7977 105.0760 46.7040 0.0000 174.4752 82 Q 4.6195 8.0748 116.9541 53.2685 32.3024 177.7258 83 T 5.1337 8.4110 113.4294 62.7646 70.9840 173.8516 84 I 4.6140 8.4761 127.2274 59.2138 40.4295 175.1976 85 E 4.6271 8.9654 126.8938 56.3455 30.2043 176.0348 86 F 5.1042 8.8018 117.5294 55.1770 42.2035 174.2207 87 V 4.7490 8.5532 118.3541 61.7031 33.8339 173.7627 88 D 5.0495 9.7346 129.3746 53.1195 42.5848 176.0637 89 T 5.2458 8.3873 119.5722 61.0432 71.5373 173.6019 *91 D 4.5793 8.3847 122.7001 54.3842 42.8156 174.5775 92 I 4.2410 8.9548 125.0490 60.8446 37.1153 175.8164 93 K 4.3650 8.9701 127.4935 57.4794 33.6510 177.3459 94 R 4.6012 7.5974 119.1851 54.6686 33.8647 174.1439 95 L 4.8419 8.4125 128.3133 54.6674 43.6997 173.9832 96 T 4.7671 8.9934 117.0577 59.3076 71.8947 174.6065 97 A 4.2781 8.7388 123.0272 54.6683 18.5697 177.9994 98 D 4.9713 7.8508 114.5503 54.4858 43.0192 176.0179 99 S 5.4625 8.5201 114.5125 56.8040 67.9713 173.0411 100 L 4.7062 8.7671 124.1627 53.3928 45.1633 174.9280 101 V 4.7888 8.5865 126.2523 61.0118 34.3534 174.1441 102 L 5.1916 8.9878 127.4104 52.8815 45.4608 175.0200 103 D 4.9619 8.8766 122.5948 52.8633 42.6490 175.5717 104 N 4.6760 8.7821 125.9713 52.5527 38.4948 173.7964 105 Q 3.3048 9.6434 127.0965 56.5705 27.1399 174.6390 106 G 3.7378 8.4730 101.1187 45.7559 0.0000 173.8058 *108 E 4.2726 7.4310 116.9186 56.1007 31.5356 175.5999 109 I 4.2749 8.7455 127.1137 59.3705 40.1292 174.3022 110 R 4.6704 8.3765 127.6938 54.8696 31.5682 174.3817 111 Y 5.3651 9.1220 124.4340 56.3045 41.3303 174.7596 112 A 5.5124 9.1963 124.0937 49.8557 22.3166 175.8634 113 K 3.6881 8.7466 122.9421 56.1982 32.9012 176.3070 114 Q 4.1631 8.8205 132.5334 55.5238 29.4413 176.4789 115 K 4.0967 8.4542 127.2756 54.8352 31.8211 173.2625 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 0 G 8.21 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 0.00 0.00 0.00 *23 A 8.03 4.15 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 24 S 8.34 4.60 0.00 3.89 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 25 I 8.21 4.09 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.67 0.63 0.00 0.00 26 V 7.61 3.34 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 0.80 0.00 0.00 1.11 0.00 0.00 27 G 7.63 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 0.00 0.00 0.00 28 S 7.41 4.64 0.00 3.54 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 29 W 8.83 5.18 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.25 5.31 2.21 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 0.73 0.00 0.00 0.97 0.00 0.00 31 E 9.45 5.15 0.00 1.98 2.19 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 2.60 2.35 0.00 32 P 0.00 4.80 0.00 1.98 2.05 0.00 3.70 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 2.04 2.11 0.00 33 V 8.63 3.81 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 0.95 0.00 0.00 0.94 0.00 0.00 34 P 0.00 4.42 0.00 2.08 2.00 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 35 G 9.05 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 36 L 7.89 4.57 0.00 1.69 1.57 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.44 4.06 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.89 0.00 38 G 9.04 4.08 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 0.00 0.00 0.00 39 Q 7.60 4.64 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 40 V 8.23 5.19 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 0.77 0.00 0.00 0.95 0.00 0.00 41 Q 9.40 4.73 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 42 G 8.24 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.94 1.55 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.63 0.53 0.00 0.00 44 K 8.74 5.00 0.00 1.79 1.66 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.14 7.81 *46 E 8.41 4.56 0.00 2.23 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 2.33 2.41 0.00 47 E 8.84 4.31 0.00 2.02 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 2.41 2.32 0.00 48 G 8.86 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.22 3.29 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 50 V 7.51 4.37 2.17 0.00 0.00 0.00 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 0.96 0.00 0.00 51 A 8.66 5.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.90 5.02 0.00 3.92 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 53 S 8.94 4.89 0.00 3.88 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 54 V 9.13 4.01 2.18 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 0.99 0.00 0.00 0.90 0.00 0.00 55 N 8.90 3.90 0.00 2.88 2.94 0.00 0.00 7.16 7.96 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 *57 A 8.10 4.42 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 58 T 7.85 4.20 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 1.23 0.00 0.00 59 L 7.83 4.61 0.00 1.46 1.37 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.73 4.23 2.18 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 1.08 0.00 0.00 0.94 0.00 0.00 61 Y 8.84 4.75 0.00 3.03 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 62 E 9.78 4.83 0.00 1.78 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 2.22 2.21 0.00 63 S 8.00 5.09 0.00 3.74 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 64 W 8.67 5.80 0.00 3.44 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 65 K 8.99 4.22 0.00 1.71 1.61 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.23 7.81 66 Q 8.77 5.13 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 67 E 9.15 4.55 0.00 2.02 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 2.21 2.22 0.00 68 G 8.11 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 69 T 8.58 4.29 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 70 K 8.17 4.69 0.00 2.01 1.79 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.24 7.81 71 L 8.54 5.13 0.00 1.76 1.52 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.16 5.02 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.97 0.00 0.00 73 L 9.45 5.50 0.00 1.85 1.88 0.79 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 T 9.32 4.95 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 1.22 0.00 0.00 75 G 6.10 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 0.00 0.00 0.00 76 K 7.84 5.09 0.00 1.77 1.94 0.00 1.24 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.35 7.81 77 S 9.09 5.17 0.00 3.93 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 78 I 8.58 4.66 1.88 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 1.17 0.72 0.92 0.00 0.00 79 G 9.46 4.04 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 0.00 0.00 0.00 80 N 9.52 4.24 0.00 2.87 2.90 0.00 0.00 6.94 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 81 G 8.80 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.07 4.62 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 83 T 8.41 5.13 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 84 I 8.48 4.61 1.93 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 1.25 0.74 0.96 0.00 0.00 85 E 8.97 4.63 0.00 1.83 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 2.27 2.21 0.00 86 F 8.80 5.10 0.00 3.05 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 87 V 8.55 4.75 2.15 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 0.90 0.00 0.00 0.94 0.00 0.00 88 D 9.73 5.05 0.00 2.85 2.67 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 89 T 8.39 5.25 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 1.24 0.00 0.00 *91 D 8.38 4.58 0.00 2.61 2.62 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 0.00 0.00 0.00 92 I 8.95 4.24 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 1.15 0.56 0.83 0.00 0.00 93 K 8.97 4.37 0.00 1.56 1.82 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.48 7.81 94 R 7.60 4.60 0.00 1.83 1.63 0.00 3.21 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 95 L 8.41 4.84 0.00 1.51 1.47 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.99 4.77 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 1.24 0.00 0.00 97 A 8.74 4.28 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 4.97 0.00 2.94 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 99 S 8.52 5.46 0.00 3.77 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 0.00 100 L 8.77 4.71 0.00 0.27 0.30 0.55 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.59 4.79 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 0.94 0.00 0.00 0.88 0.00 0.00 102 L 8.99 5.19 0.00 1.47 1.45 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.88 4.96 0.00 2.59 2.53 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 0.00 104 N 8.78 4.68 0.00 2.67 2.69 0.00 0.00 7.34 7.08 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 0.00 105 Q 9.64 3.30 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.88 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 106 G 8.47 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 0.00 0.00 0.00 *108 E 7.43 4.27 0.00 1.97 1.85 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 2.11 2.41 0.00 109 I 8.75 4.27 1.65 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.43 0.23 0.00 0.00 110 R 8.38 4.67 0.00 1.70 1.72 0.00 3.16 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 111 Y 9.12 5.37 0.00 2.95 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 0.00 112 A 9.20 5.51 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 0.00 113 K 8.75 3.69 0.00 1.25 1.56 0.00 1.13 0.00 0.00 0.79 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.09 7.81 114 Q 8.82 4.16 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 115 K 8.45 4.10 0.00 1.82 1.56 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.