NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.8248 8.0632 120.1094 54.6410 35.1731 174.8748 7 I 5.0475 7.9598 118.4686 58.6266 39.8566 173.6977 8 Q 4.6815 9.8694 128.2505 54.3394 33.1146 173.2609 9 V 5.4463 8.7595 125.7189 60.7528 33.4299 173.9485 10 Y 4.9925 7.8769 124.2063 56.1494 41.3387 173.1468 11 S 4.9646 8.7096 115.0879 57.5327 64.0609 173.7277 12 R 4.1791 8.6752 125.2475 59.6164 29.8085 176.0860 13 H 5.0821 7.9521 112.8624 53.2214 31.2239 172.5589 14 P 4.0477 0.0000 0.0000 65.7184 31.3996 177.6440 *18 G 4.3186 7.9285 105.0853 46.1281 0.0000 171.5517 19 K 4.8574 7.8585 124.5937 53.0014 36.1592 180.3358 20 S 4.2172 8.4156 116.5651 60.7127 62.9164 172.0672 21 N 4.9770 8.4606 121.8124 52.0077 42.6064 172.3726 22 F 5.4555 9.0149 114.5086 55.9479 43.7073 173.5279 23 L 4.7183 9.0055 125.1095 53.3963 44.0009 174.5637 24 N 5.4416 8.7747 123.9906 51.6003 41.4027 173.0000 25 C 5.2454 9.5486 123.7341 54.9690 46.0545 171.8602 26 Y 5.1703 9.5639 129.4942 56.9701 40.0502 174.1554 27 V 5.0143 8.9073 127.0647 61.1104 34.4416 174.3350 28 S 4.6496 8.6301 122.3897 56.2652 65.9963 175.8941 29 G 3.2574 7.5972 108.9401 45.4498 0.0000 173.5802 30 F 5.0825 7.8733 118.0101 56.1727 40.3154 175.6600 31 H 4.3158 8.9914 123.8524 53.7879 27.3314 174.0520 32 P 4.2879 0.0000 0.0000 64.9161 31.0400 177.9355 33 S 4.7640 7.8417 112.1409 58.1584 64.3344 174.3226 34 D 4.5002 8.5624 121.9664 56.1455 41.2791 175.4949 35 I 5.0979 7.3388 110.9894 58.9113 41.1465 174.3567 36 E 4.5734 9.1597 125.0368 54.4005 31.9665 174.5670 37 V 4.5887 8.1996 126.4907 61.1847 33.5791 173.9823 38 D 4.9350 8.8584 128.2943 52.6712 43.4494 175.3387 39 L 5.0005 8.5312 124.9570 53.8470 44.1152 175.8248 40 L 5.2109 9.0753 126.0383 52.9219 44.3842 172.1810 41 K 4.3437 8.9628 125.1230 54.0849 34.1211 176.0867 42 N 3.7718 9.9599 128.1669 54.3966 36.6148 175.5488 43 G 3.9597 8.2982 103.6631 45.4687 0.0000 173.3124 44 E 4.7349 7.6029 119.0146 53.8604 32.5188 175.7126 45 R 4.3434 8.3984 121.1644 56.2637 30.6443 176.7778 46 I 3.9766 8.6402 125.0071 60.8767 37.8588 175.7993 47 E 3.9825 9.0756 126.5693 58.5925 29.6787 176.7950 48 K 4.4618 7.9273 118.3935 54.5410 33.4396 175.3486 49 V 4.4824 8.2968 123.9868 61.1149 33.7693 174.8398 50 E 4.5909 9.0517 127.7696 55.2224 32.2893 174.4171 51 H 5.8304 8.1244 115.1515 53.5850 31.2136 173.6319 52 S 4.3833 8.8621 116.0623 58.1732 63.6449 173.7226 53 D 4.4220 8.6227 120.5157 54.4918 41.1798 176.7476 54 L 3.8973 8.1853 121.5328 55.2017 42.4551 176.5233 55 S 4.4668 7.9088 117.4068 56.4627 65.4577 173.2500 56 F 5.9654 8.7012 127.1572 54.9498 41.9597 175.9141 *60 W 4.6311 8.1330 117.5912 56.3091 29.8787 172.9278 61 S 4.5003 8.1081 115.4589 59.2245 63.2523 173.4906 62 F 5.7744 8.0968 116.4946 54.1102 41.6156 172.9329 63 Y 4.9891 7.9552 116.6072 55.4118 41.9805 173.5256 64 L 5.0913 8.8151 118.7417 53.1501 47.2229 175.2992 65 L 5.4199 8.6710 119.2111 53.4913 45.1709 175.4628 66 Y 5.1336 9.5885 122.3444 56.6747 40.0248 174.4749 67 Y 5.9507 8.6012 121.0911 55.0557 42.2409 173.8541 68 T 5.0607 8.3990 113.5560 60.1814 71.5001 172.3267 69 E 3.8768 8.8114 128.4189 56.0886 30.4681 175.8100 70 F 4.9340 8.8212 120.5270 55.8596 41.8915 173.2610 71 T 4.5052 8.2751 118.0551 61.7787 69.4587 172.8367 72 P 4.8409 0.0000 0.0000 62.2784 33.0874 175.7864 73 T 4.9063 8.4467 112.1226 59.4925 71.7461 174.6962 74 E 4.1878 9.0050 122.9036 59.0199 29.5592 178.0947 75 K 4.4169 7.8475 114.7621 56.0719 33.3090 175.7846 76 D 4.4550 8.4088 120.9313 53.8911 41.2795 175.4413 77 E 4.8791 8.2659 123.0185 54.7330 32.9877 174.5938 78 Y 5.3515 8.4441 118.3990 56.7734 42.4069 174.0389 79 A 4.6738 8.6019 122.2769 51.4449 23.7017 174.0583 80 C 5.2582 8.5689 117.9001 55.0354 47.2588 172.9400 81 R 4.6042 9.0301 126.7403 54.5434 32.0023 174.2886 82 V 4.6751 8.3401 126.2648 61.1997 33.5502 174.3732 83 N 5.0625 8.6666 124.3411 51.2825 42.5446 173.6134 84 H 4.5981 8.9051 120.0939 56.2170 29.4793 174.7415 85 V 4.3053 9.0535 124.6012 61.5639 32.7888 175.1103 86 T 4.6149 8.5262 124.0314 61.6687 70.8976 173.2713 87 L 4.7105 8.3600 126.0571 53.1959 43.5788 175.6749 88 S 4.4823 8.3042 115.5363 57.4297 66.4429 173.5051 89 Q 3.2789 8.6588 117.3289 56.1872 25.7415 173.0622 90 P 4.3088 0.0000 0.0000 62.6247 32.4413 176.1637 91 K 4.4853 8.5280 122.0517 54.6428 33.8883 174.9674 92 I 4.4424 8.2630 126.9394 59.5148 38.9389 175.1732 93 V 4.3988 8.1087 123.4831 60.8322 33.8751 175.1010 94 K 4.2656 8.5864 126.6906 55.2916 32.8358 176.5251 95 W 4.3371 8.8622 132.7440 57.7036 30.5424 175.2380 96 D 4.3290 8.4318 126.9726 52.2151 40.3531 175.9856 97 R 3.0103 7.6325 125.7487 56.1759 29.9440 176.1519 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 6 M 8.06 4.82 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 7 I 7.96 5.05 1.97 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 1.34 0.91 1.00 0.00 0.00 8 Q 9.87 4.68 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 9 V 8.76 5.45 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 0.77 0.00 0.00 0.98 0.00 0.00 10 Y 7.88 4.99 0.00 3.12 2.99 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 11 S 8.71 4.96 0.00 4.16 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 12 R 8.68 4.18 0.00 1.88 2.30 0.00 2.94 0.00 0.00 3.05 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.41 0.00 13 H 7.95 5.08 0.00 3.21 3.18 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 14 P 0.00 4.05 0.00 2.07 2.12 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 *18 G 7.93 4.32 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 0.00 19 K 7.86 4.86 0.00 1.50 1.56 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.97 7.81 20 S 8.42 4.22 0.00 3.39 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 21 N 8.46 4.98 0.00 2.46 2.37 0.00 0.00 6.68 7.01 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 22 F 9.01 5.46 0.00 2.98 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 23 L 9.01 4.72 0.00 0.27 0.79 0.51 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.77 5.44 0.00 1.81 2.27 0.00 0.00 6.00 8.23 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 25 C 9.55 5.25 0.00 2.94 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 26 Y 9.56 5.17 0.00 3.29 3.18 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 0.00 0.00 0.00 0.00 27 V 8.91 5.01 2.30 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 1.26 0.00 0.00 1.05 0.00 0.00 28 S 8.63 4.65 0.00 3.62 3.30 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 29 G 7.60 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 0.00 0.00 0.00 30 F 7.87 5.08 0.00 3.19 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 31 H 8.99 4.32 0.00 3.50 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.29 0.00 2.21 2.38 0.00 3.44 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 2.02 1.89 0.00 33 S 7.84 4.76 0.00 3.84 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 34 D 8.56 4.50 0.00 2.69 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 35 I 7.34 5.10 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.91 0.00 0.00 36 E 9.16 4.57 0.00 1.97 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 2.13 2.17 0.00 37 V 8.20 4.59 0.67 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 0.33 0.00 0.00 0.27 0.00 0.00 38 D 8.86 4.93 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.53 5.00 0.00 1.63 1.57 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.08 5.21 0.00 1.25 1.50 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.96 4.34 0.00 1.96 1.71 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.00 7.81 42 N 9.96 3.77 0.00 2.71 2.74 0.00 0.00 7.14 5.12 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 43 G 8.30 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 44 E 7.60 4.73 0.00 1.97 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 2.35 2.35 0.00 45 R 8.40 4.34 0.00 1.79 1.87 0.00 3.19 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 46 I 8.64 3.98 1.99 0.00 0.00 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 1.28 0.53 0.95 0.00 0.00 47 E 9.08 3.98 0.00 1.92 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 2.30 2.40 0.00 48 K 7.93 4.46 0.00 1.77 1.72 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.34 7.81 49 V 8.30 4.48 2.11 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 0.92 0.00 0.00 0.94 0.00 0.00 50 E 9.05 4.59 0.00 1.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 51 H 8.12 5.83 0.00 2.26 2.19 0.00 5.34 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.86 4.38 0.00 3.87 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 D 8.62 4.42 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.90 0.00 1.33 1.20 0.60 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.91 4.47 0.00 3.49 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 56 F 8.70 5.97 0.00 3.03 3.05 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 0.00 0.00 0.00 0.00 *60 W 8.13 4.63 0.00 2.54 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 0.00 0.00 0.00 0.00 61 S 8.11 4.50 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 62 F 8.10 5.77 0.00 2.39 2.55 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 0.00 0.00 0.00 0.00 63 Y 7.96 4.99 0.00 2.38 2.79 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 64 L 8.82 5.09 0.00 1.56 1.42 1.15 0.39 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 65 L 8.67 5.42 0.00 1.75 1.74 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.59 5.13 0.00 2.85 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 67 Y 8.60 5.95 0.00 3.17 3.05 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 0.00 0.00 0.00 0.00 68 T 8.40 5.06 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 1.16 0.00 0.00 69 E 8.81 3.88 0.00 1.36 1.65 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 2.08 2.01 0.00 70 F 8.82 4.93 0.00 3.02 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 71 T 8.28 4.51 4.18 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 0.00 0.00 0.00 1.09 0.00 0.00 72 P 0.00 4.84 0.00 2.04 2.02 0.00 3.28 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.08 0.00 73 T 8.45 4.91 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 1.23 0.00 0.00 74 E 9.01 4.19 0.00 1.99 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 0.00 2.34 2.31 0.00 75 K 7.85 4.42 0.00 1.72 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.43 7.81 76 D 8.41 4.46 0.00 2.90 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 77 E 8.27 4.88 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 2.42 2.21 0.00 78 Y 8.44 5.35 0.00 2.74 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 79 A 8.60 4.67 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 80 C 8.57 5.26 0.00 2.93 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.03 4.60 0.00 1.85 1.69 0.00 3.07 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 82 V 8.34 4.68 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 0.69 0.00 0.00 0.83 0.00 0.00 83 N 8.67 5.06 0.00 2.58 2.59 0.00 0.00 6.64 7.53 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 84 H 8.91 4.60 0.00 2.94 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 9.05 4.31 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 0.80 0.00 0.00 0.92 0.00 0.00 86 T 8.53 4.61 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 87 L 8.36 4.71 0.00 1.62 1.57 0.92 0.85 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 88 S 8.30 4.48 0.00 3.92 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 89 Q 8.66 3.28 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 90 P 0.00 4.31 0.00 2.18 2.06 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 91 K 8.53 4.49 0.00 1.71 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 92 I 8.26 4.44 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 1.31 0.62 0.93 0.00 0.00 93 V 8.11 4.40 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 0.89 0.00 0.00 0.95 0.00 0.00 94 K 8.59 4.27 0.00 1.82 1.76 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.45 7.81 95 W 8.86 4.34 0.00 3.21 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 96 D 8.43 4.33 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.63 3.01 0.00 1.17 1.46 0.00 3.18 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 * Residues marked with a * may have inaccurate shift predictions.