NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 C 4.4762 8.4549 115.3898 55.2680 38.2341 174.0485 28 Q 4.0578 8.1443 116.1901 54.7532 24.3880 173.2670 29 E 3.9897 8.3890 123.3648 59.8750 30.8505 178.8446 30 A 4.1675 7.9855 120.1726 55.1664 18.7323 178.9929 31 N 4.5189 8.0389 113.7129 54.9638 37.5698 176.3543 32 Y 4.2516 7.9704 122.9275 60.6898 38.7455 177.6476 33 G 3.3724 8.1457 106.5537 47.4132 0.0000 175.6260 34 A 3.9780 7.8289 122.6830 54.9450 18.5567 179.2022 35 L 3.9239 7.7917 118.8164 58.3803 41.9506 179.2589 36 L 3.5660 7.4046 118.8121 57.2433 40.9875 179.4280 37 R 4.2233 7.4907 117.7423 58.7880 30.2337 178.7902 38 E 3.9920 8.6345 117.8044 58.7121 29.7968 177.5751 39 L 4.4325 7.9016 118.5949 57.0090 43.1588 177.7351 40 C 4.3799 7.7266 115.3106 59.9851 40.9804 175.8409 41 L 4.0715 8.2876 122.4524 58.3243 41.7525 178.8513 42 T 4.0680 7.6471 109.4121 65.1945 68.5972 176.0419 43 Q 3.9832 7.7642 121.3332 58.6873 28.8683 177.9482 44 F 4.2265 7.9319 120.4945 61.2780 39.4115 176.8723 45 Q 3.8619 7.8978 117.2465 58.5178 28.8060 178.4263 46 V 3.7851 7.5904 118.7864 66.0752 31.4826 178.7073 47 D 4.2082 7.5670 115.0311 55.2417 40.1603 177.9466 *49 E 4.4028 8.1837 122.4349 56.2978 31.2999 177.7761 50 A 4.1598 7.9444 120.4611 54.9350 18.8046 179.0946 51 V 3.6586 7.7228 115.5016 66.9890 31.8982 176.2046 52 G 3.9443 7.8984 106.0028 44.3581 0.0000 173.7799 53 E 2.0000 8.6314 126.0803 58.6363 29.2974 178.7085 54 T 3.9666 7.3331 104.6290 62.8697 69.1445 174.3544 55 L 4.6672 7.6443 121.9575 54.3957 42.4850 178.2912 56 W 4.5570 7.8580 120.4520 59.7683 28.9867 176.5629 57 C 3.9961 8.0996 113.3510 57.4930 36.5757 173.9149 58 D 4.4513 7.6980 120.7418 52.5356 40.3111 176.0643 59 W 4.8576 8.2439 127.8420 59.6240 28.9372 178.1092 60 G 3.7730 8.4727 104.0133 46.8355 0.0000 174.6741 61 R 4.5957 8.4340 119.1576 56.5874 31.9708 177.3083 62 T 4.6522 7.6871 107.0161 61.6487 69.8167 176.0107 63 I 3.8662 8.3767 123.1366 64.3073 37.9627 177.2303 64 R 3.9849 8.2274 119.0050 59.9723 29.9130 178.3793 65 S 4.3046 8.3145 114.1579 61.8736 62.8521 176.0437 66 Y 4.2122 8.5941 122.4032 60.7035 38.5632 177.9341 67 R 3.9612 8.6691 120.1555 59.3795 30.2271 178.1166 68 E 3.9720 8.5877 119.3631 59.0903 29.6465 178.4870 69 L 3.9197 8.0913 120.1359 58.1474 42.1647 178.7881 70 A 4.3790 7.9644 120.6410 55.4963 18.2451 179.3002 71 D 4.3451 8.3219 117.4436 57.6007 40.6319 178.2783 72 C 4.2792 8.1471 118.3204 59.9355 43.7696 175.4934 73 T 3.8794 7.9983 110.3070 64.3540 68.6309 176.1891 74 W 3.8029 8.3345 131.2590 60.3184 30.6379 179.1569 75 H 3.9346 8.5555 114.9429 55.9771 28.0527 177.2385 *77 A 3.9747 8.0078 125.7319 52.3413 20.5939 179.7941 78 E 3.5201 7.6487 115.0785 59.4992 29.6771 179.2312 79 K 3.7160 7.8957 117.3380 59.8710 32.0671 178.2674 80 L 4.0655 7.7701 114.8653 54.8229 41.8501 177.1853 81 G 3.6883 8.0129 107.1718 46.6316 0.0000 173.6108 82 C 4.1888 7.8760 117.4382 55.7391 41.0310 173.4773 83 F 4.8860 7.9365 119.6762 56.9342 39.5103 175.6073 84 W 4.9629 8.5440 131.4370 55.4240 32.8607 173.1134 85 P 3.7298 0.0000 0.0000 62.3354 32.9729 175.1594 86 N 4.8952 7.9643 112.9376 50.9755 40.9791 174.6125 87 A 4.0151 8.7496 123.8329 55.5158 18.2803 179.8784 88 E 3.9524 8.2930 117.3171 59.6005 29.9348 179.3370 89 V 3.7616 8.8342 119.6545 64.7512 31.5166 177.8085 90 D 4.4015 8.2397 119.5994 57.5229 40.7637 178.9549 91 R 3.9763 8.2471 118.9538 59.0960 30.0404 178.2081 92 F 3.9917 8.4098 120.7474 61.5304 39.3931 177.2981 93 F 3.8317 8.5655 117.2771 60.0684 38.5473 177.4643 94 L 3.9814 7.9157 119.7951 57.9924 41.9068 178.9497 95 A 3.9153 7.8628 120.7613 55.1432 18.3088 179.7483 96 V 3.6463 7.4695 116.7668 66.4644 31.4000 178.0234 97 H 4.8187 8.7795 116.2573 59.0949 28.4514 178.1064 98 G 3.7059 8.4057 106.2296 46.8487 0.0000 174.5851 99 R 4.2783 7.6563 118.7397 57.8410 31.3724 176.8751 100 Y 4.0124 8.0557 114.9968 58.1441 39.7343 176.1733 101 F 5.1153 7.5627 117.3733 55.7586 38.8875 174.2447 102 R 4.5731 7.8412 120.2766 55.6266 31.8615 175.5522 103 S 3.9114 8.8184 120.8768 59.8820 59.9874 171.6181 104 C 4.5451 8.3518 117.5265 55.9255 40.7152 172.4320 105 P 4.5814 0.0000 0.0000 62.3276 31.7622 175.7470 106 I 4.4216 8.0248 121.1840 59.3874 38.2503 176.2585 107 S 4.3320 8.9574 119.3758 58.8510 62.4290 174.4327 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 27 C 8.45 4.48 0.00 3.05 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 28 Q 8.14 4.06 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 29 E 8.39 3.99 0.00 1.96 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 0.00 2.31 2.61 0.00 30 A 7.99 4.17 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 31 N 8.04 4.52 0.00 2.93 3.10 0.00 0.00 5.73 7.57 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 32 Y 7.97 4.25 0.00 3.14 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 33 G 8.15 3.37 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 0.00 34 A 7.83 3.98 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 35 L 7.79 3.92 0.00 1.97 1.72 0.89 0.75 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 36 L 7.40 3.57 0.00 1.47 0.79 0.29 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.49 4.22 0.00 1.84 2.04 0.00 3.20 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 38 E 8.63 3.99 0.00 1.95 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 2.31 0.00 39 L 7.90 4.43 0.00 1.79 1.57 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.73 4.38 0.00 3.05 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 41 L 8.29 4.07 0.00 2.21 1.95 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.65 4.07 4.27 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 1.35 0.00 0.00 43 Q 7.76 3.98 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 44 F 7.93 4.23 0.00 2.91 3.19 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 45 Q 7.90 3.86 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 46 V 7.59 3.79 2.23 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 1.04 0.00 0.00 0.94 0.00 0.00 47 D 7.57 4.21 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 *49 E 8.18 4.40 0.00 2.37 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 2.32 2.43 0.00 50 A 7.94 4.16 1.39 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 0.00 0.00 0.00 51 V 7.72 3.66 2.37 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 0.94 0.00 0.00 1.06 0.00 0.00 52 G 7.90 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 0.00 0.00 0.00 53 E 8.63 2.00 0.00 1.16 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 1.81 1.47 0.00 54 T 7.33 3.97 4.12 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 1.05 0.00 0.00 55 L 7.64 4.67 0.00 1.77 1.67 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 56 W 7.86 4.56 0.00 3.46 3.16 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 57 C 8.10 4.00 0.00 2.89 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 58 D 7.70 4.45 0.00 2.77 2.72 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 59 W 8.24 4.86 0.00 3.44 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 60 G 8.47 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 61 R 8.43 4.60 0.00 1.95 2.05 0.00 3.31 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 62 T 7.69 4.65 4.61 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 63 I 8.38 3.87 2.26 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 1.02 0.00 0.00 64 R 8.23 3.98 0.00 2.00 2.03 0.00 3.30 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 65 S 8.31 4.30 0.00 4.29 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 66 Y 8.59 4.21 0.00 3.44 3.23 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 67 R 8.67 3.96 0.00 2.05 2.31 0.00 3.21 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 68 E 8.59 3.97 0.00 2.39 2.04 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 2.38 2.43 0.00 69 L 8.09 3.92 0.00 1.68 1.57 0.83 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.96 4.38 1.31 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 0.00 0.00 71 D 8.32 4.35 0.00 2.88 2.68 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 72 C 8.15 4.28 0.00 3.14 3.34 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 73 T 8.00 3.88 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 1.07 0.00 0.00 74 W 8.33 3.80 0.00 2.81 3.13 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 75 H 8.56 3.93 0.00 3.25 3.16 0.00 5.70 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 *77 A 8.01 3.97 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 78 E 7.65 3.52 0.00 1.75 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 1.47 1.47 0.00 79 K 7.90 3.72 0.00 1.70 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.53 7.81 80 L 7.77 4.07 0.00 1.50 1.62 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.01 3.69 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 0.00 0.00 0.00 82 C 7.88 4.19 0.00 2.58 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 83 F 7.94 4.89 0.00 3.08 2.89 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 84 W 8.54 4.96 0.00 3.58 3.20 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 0.00 0.00 0.00 0.00 85 P 0.00 3.73 0.00 1.89 1.50 0.00 3.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 86 N 7.96 4.90 0.00 3.05 3.10 0.00 0.00 5.84 7.10 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 87 A 8.75 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 3.95 0.00 2.25 2.42 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 2.51 2.43 0.00 89 V 8.83 3.76 2.39 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 0.66 0.00 0.00 1.26 0.00 0.00 90 D 8.24 4.40 0.00 3.00 2.80 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 91 R 8.25 3.98 0.00 2.03 2.15 0.00 3.13 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 92 F 8.41 3.99 0.00 3.17 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 93 F 8.57 3.83 0.00 3.17 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 94 L 7.92 3.98 0.00 2.02 1.69 0.98 0.80 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 95 A 7.86 3.92 1.26 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 0.00 0.00 96 V 7.47 3.65 1.93 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 1.05 0.00 0.00 0.09 0.00 0.00 97 H 8.78 4.82 0.00 3.61 3.54 0.00 5.69 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 98 G 8.41 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 99 R 7.66 4.28 0.00 1.64 1.49 0.00 2.21 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.42 0.00 100 Y 8.06 4.01 0.00 2.04 1.59 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 0.00 101 F 7.56 5.12 0.00 3.20 3.13 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 0.00 102 R 7.84 4.57 0.00 1.82 1.87 0.00 3.38 0.00 0.00 3.45 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 103 S 8.82 3.91 0.00 4.11 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 0.00 104 C 8.35 4.55 0.00 3.15 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 0.00 105 P 0.00 4.58 0.00 2.08 2.01 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 106 I 8.02 4.42 1.91 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 1.53 0.63 0.93 0.00 0.00 107 S 8.96 4.33 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.