NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 N 3.3363 8.2676 119.1556 52.1196 39.8521 174.9346 37 P 3.9187 0.0000 0.0000 65.2015 30.8010 176.6342 38 K 3.8009 8.4493 118.8330 58.4847 32.2937 179.2672 39 R 4.3622 7.6971 116.6782 56.9032 31.2333 177.8976 40 S 4.3701 7.8601 113.5620 59.2593 63.6556 174.2727 41 S 4.4096 7.5571 114.4355 56.7784 65.5076 172.9749 42 D 4.8885 8.1441 125.0054 53.2444 39.8449 177.4565 43 Y 4.4008 7.4289 121.1667 61.8485 38.1396 178.2465 44 Y 2.0000 7.7492 116.9386 57.9281 37.9122 177.0701 45 N 4.1441 6.7531 117.8077 53.9047 40.1400 175.2730 46 R 4.3010 7.2441 113.9432 55.8109 31.0843 176.3956 47 S 4.3205 7.5665 113.3649 58.0573 63.1061 174.2536 48 T 4.0743 8.4788 114.9278 63.4761 69.5613 174.1240 49 S 5.1264 8.2319 117.3649 55.4962 61.3271 172.2387 50 P 4.6660 0.0000 0.0000 63.4433 33.0861 176.7427 51 W 5.7543 8.1742 117.2207 55.3325 31.8621 173.5879 52 N 5.1740 9.6572 117.5527 51.6053 41.5412 173.8056 53 L 5.3466 8.3094 119.3191 53.4445 44.8562 175.9170 54 H 5.1718 9.3586 120.7053 53.8973 32.1626 173.4062 55 R 4.1274 8.4208 119.2705 55.3755 31.1968 175.2588 56 N 4.8065 8.5685 118.6809 52.0961 41.9439 173.2560 57 E 5.1876 8.6373 124.6241 53.1964 32.5025 176.3211 58 D 4.6943 8.1453 123.6467 53.8173 44.0856 177.5479 *61 R 4.6416 8.6029 124.9225 57.3967 31.4983 172.4898 62 Y 5.0063 8.2117 119.8926 54.9415 40.1979 172.6213 63 P 3.9571 0.0000 0.0000 62.2515 32.4451 176.9197 64 S 4.4508 8.9278 118.3757 60.1877 63.7570 174.1953 65 V 4.4283 6.9867 119.8989 59.6516 32.5345 175.4418 66 I 4.5286 8.2702 126.6598 58.9773 40.2697 174.8159 67 W 4.8951 8.9767 126.9568 55.7718 30.0567 175.5077 68 E 4.6174 9.5469 125.6584 55.0677 30.8109 175.4814 69 A 5.0977 8.8193 126.9641 51.1275 20.2321 176.5828 70 K 4.6165 9.0636 122.7402 54.3987 35.3152 175.0422 71 C 4.9317 9.0790 124.7654 57.5365 40.3526 174.0816 72 R 3.9460 8.8680 122.6086 58.7787 30.0516 176.1834 73 H 5.0832 7.6917 111.9660 53.6939 33.2857 173.1846 74 L 4.0978 8.8163 123.0277 58.3557 42.2162 177.5067 75 G 3.9312 7.7464 103.3534 45.4513 0.0000 172.9142 76 C 5.3836 8.3609 115.7758 54.7711 44.1251 174.0005 77 I 4.5010 8.5748 123.2837 61.3638 37.5514 176.0108 78 N 4.7566 8.7872 124.7505 50.7726 39.5979 175.2816 79 A 4.0716 8.5214 120.0279 55.4700 18.2856 178.5372 80 D 4.4081 8.1644 114.3187 55.4603 41.1775 177.6436 81 G 3.9415 8.5591 107.4677 44.8223 0.0000 173.2338 82 N 4.7198 7.8216 116.8686 52.1516 40.5603 174.4908 83 V 3.8729 8.1125 121.3384 62.9195 32.5837 174.6710 84 D 4.6723 8.9679 127.3587 52.6080 43.8690 175.3261 85 Y 4.4676 8.5199 122.0045 58.2831 38.2215 176.2119 86 H 4.4771 8.9181 118.4827 57.7367 29.0119 174.2859 87 M 5.0583 7.6237 115.9889 53.9602 35.3920 173.1699 88 N 5.4372 8.7587 114.7745 51.5097 42.8438 174.4115 89 S 4.8985 9.1983 119.4043 58.5176 64.2641 173.8127 90 V 4.7720 8.8562 117.5672 58.7996 35.7893 173.2972 91 P 4.7774 0.0000 0.0000 62.5766 32.9027 175.5335 92 I 4.1315 9.0475 124.3177 60.6762 38.4071 174.6728 93 Q 4.9421 8.5954 126.7414 54.4816 30.0748 174.9623 94 Q 4.6874 9.4588 125.6439 54.1414 32.7149 173.5056 95 E 5.0541 8.6895 125.1108 54.8909 30.8975 175.0218 96 I 4.6496 8.3821 120.4561 59.0403 40.9501 174.4359 97 L 4.9225 8.4334 123.6619 54.2884 43.0356 176.3954 98 V 4.6824 8.7292 116.2888 59.6478 35.7303 174.0723 99 L 5.2818 8.5236 122.9024 52.9802 44.1406 177.3565 *111 R 4.2527 8.3256 119.6081 56.0079 30.8508 173.7871 112 L 4.8598 8.5708 125.8096 53.6414 42.9300 176.5348 113 E 4.8461 8.6442 119.8790 54.6560 34.5785 172.3045 114 K 4.8151 8.6541 119.9767 55.5556 33.4237 175.8679 115 I 4.4715 8.2932 126.4219 59.4938 39.7598 174.6355 116 L 5.0302 8.3700 127.4070 53.9150 43.4520 175.9757 117 V 5.3721 8.8840 118.5002 58.5057 36.3215 174.9434 118 S 4.6006 8.9253 120.7835 58.6542 62.9366 174.9803 119 V 3.8371 8.9011 126.1068 63.0524 32.5007 175.7910 120 G 2.4547 6.5935 108.0288 45.2603 0.0000 171.3872 121 C 5.0668 5.9591 115.7044 55.3443 43.3011 173.2323 122 T 4.7223 8.7630 115.4309 60.4800 71.3690 171.1591 123 C 5.4414 8.7036 122.0164 54.8771 42.3831 173.3024 124 V 4.7409 8.7865 119.8507 59.8365 34.1032 175.0882 125 T 5.0125 8.3685 113.3478 59.3329 71.4005 172.3103 126 P 4.5185 0.0000 0.0000 63.2815 32.0644 175.7377 127 I 4.4436 7.2500 119.5195 59.6364 39.0003 175.7236 128 V 3.9921 8.2348 123.9760 63.0267 31.7117 174.8205 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 36 N 8.27 3.34 0.00 2.10 2.32 0.00 0.00 6.81 6.82 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 37 P 0.00 3.92 0.00 2.31 2.25 0.00 2.39 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.06 0.00 38 K 8.45 3.80 0.00 1.44 1.67 0.00 1.41 0.00 0.00 1.15 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.01 7.81 39 R 7.70 4.36 0.00 1.80 1.87 0.00 3.06 0.00 0.00 3.04 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 40 S 7.86 4.37 0.00 3.78 3.87 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 41 S 7.56 4.41 0.00 3.69 3.66 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 42 D 8.14 4.89 0.00 2.56 2.70 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 43 Y 7.43 4.40 0.00 3.14 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 44 Y 7.75 2.00 0.00 1.72 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 0.00 0.00 0.00 0.00 45 N 6.75 4.14 0.00 1.46 2.35 0.00 0.00 7.08 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 46 R 7.24 4.30 0.00 1.82 1.91 0.00 3.18 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 47 S 7.57 4.32 0.00 3.98 3.75 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 0.00 0.00 0.00 0.00 48 T 8.48 4.07 4.35 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 1.22 0.00 0.00 49 S 8.23 5.13 0.00 3.97 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 50 P 0.00 4.67 0.00 2.10 2.14 0.00 3.78 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 51 W 8.17 5.75 0.00 3.40 3.25 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 0.00 52 N 9.66 5.17 0.00 2.66 2.73 0.00 0.00 7.19 6.70 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 53 L 8.31 5.35 0.00 1.44 1.78 0.58 1.27 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 54 H 9.36 5.17 0.00 3.12 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.42 4.13 0.00 0.93 0.66 0.00 2.32 0.00 0.00 3.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.29 0.00 56 N 8.57 4.81 0.00 2.62 2.54 0.00 0.00 7.29 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 57 E 8.64 5.19 0.00 1.77 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 0.00 2.03 1.96 0.00 58 D 8.15 4.69 0.00 2.43 1.95 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 *61 R 8.60 4.64 0.00 2.00 2.13 0.00 3.14 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 62 Y 8.21 5.01 0.00 3.10 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 63 P 0.00 3.96 0.00 1.95 1.79 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 64 S 8.93 4.45 0.00 3.91 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 0.00 65 V 6.99 4.43 1.94 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 0.70 0.00 0.00 0.51 0.00 0.00 66 I 8.27 4.53 1.80 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 1.21 0.65 0.93 0.00 0.00 67 W 8.98 4.90 0.00 3.15 3.22 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 0.00 0.00 0.00 0.00 68 E 9.55 4.62 0.00 2.02 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 2.28 2.40 0.00 69 A 8.82 5.10 0.92 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 0.00 0.00 70 K 9.06 4.62 0.00 1.91 1.78 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 71 C 9.08 4.93 0.00 2.97 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 72 R 8.87 3.95 0.00 1.99 1.64 0.00 3.58 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 73 H 7.69 5.08 0.00 3.26 3.14 0.00 5.95 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.82 4.10 0.00 1.85 1.91 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.75 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 0.00 0.00 0.00 76 C 8.36 5.38 0.00 2.82 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 77 I 8.57 4.50 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.88 0.00 0.00 78 N 8.79 4.76 0.00 2.91 2.94 0.00 0.00 6.50 8.36 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 79 A 8.52 4.07 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 80 D 8.16 4.41 0.00 2.85 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 81 G 8.56 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 82 N 7.82 4.72 0.00 2.63 2.72 0.00 0.00 6.73 7.68 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 83 V 8.11 3.87 1.92 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 0.26 0.00 0.00 0.70 0.00 0.00 84 D 8.97 4.67 0.00 2.58 2.49 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 0.00 0.00 0.00 85 Y 8.52 4.47 0.00 2.99 2.95 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 86 H 8.92 4.48 0.00 3.20 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 M 7.62 5.06 0.00 2.01 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 88 N 8.76 5.44 0.00 2.70 2.73 0.00 0.00 7.49 7.61 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 89 S 9.20 4.90 0.00 4.02 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 90 V 8.86 4.77 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 0.80 0.00 0.00 0.98 0.00 0.00 91 P 0.00 4.78 0.00 1.99 1.96 0.00 3.47 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 92 I 9.05 4.13 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.85 0.00 0.00 93 Q 8.60 4.94 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 94 Q 9.46 4.69 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 95 E 8.69 5.05 0.00 1.99 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 2.47 0.00 96 I 8.38 4.65 1.89 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 1.24 0.44 0.93 0.00 0.00 97 L 8.43 4.92 0.00 1.58 1.65 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.73 4.68 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 0.91 0.00 0.00 0.99 0.00 0.00 99 L 8.52 5.28 0.00 1.72 1.57 0.82 0.84 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 *111 R 8.33 4.25 0.00 1.76 1.87 0.00 3.24 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 112 L 8.57 4.86 0.00 1.63 1.63 0.92 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 0.00 113 E 8.64 4.85 0.00 1.64 1.74 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 2.12 2.12 0.00 114 K 8.65 4.82 0.00 1.62 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.45 7.81 115 I 8.29 4.47 1.87 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 1.11 0.94 0.90 0.00 0.00 116 L 8.37 5.03 0.00 1.74 1.55 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.88 5.37 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 0.92 0.00 0.00 1.00 0.00 0.00 118 S 8.93 4.60 0.00 3.96 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 0.00 119 V 8.90 3.84 1.98 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 0.70 0.00 0.00 0.96 0.00 0.00 120 G 6.59 2.45 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 0.00 121 C 5.96 5.07 0.00 3.34 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 0.00 122 T 8.76 4.72 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 1.20 0.00 0.00 123 C 8.70 5.44 0.00 3.00 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 0.00 124 V 8.79 4.74 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 0.71 0.00 0.00 0.94 0.00 0.00 125 T 8.37 5.01 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 0.00 126 P 0.00 4.52 0.00 2.21 2.22 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 127 I 7.25 4.44 1.87 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 1.19 0.67 0.91 0.00 0.00 128 V 8.23 3.99 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 * Residues marked with a * may have inaccurate shift predictions.