NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0451 8.0549 117.9084 60.3164 33.6610 175.5656 4 I 4.1356 7.8847 122.8201 58.7943 37.5352 174.3448 5 N 5.1147 8.5965 124.0061 51.5498 38.6585 173.7163 6 T 4.6569 7.7501 108.6335 60.5688 72.7838 174.1082 7 F 4.2565 8.3658 120.5113 61.1325 38.9952 177.8103 8 D 4.5480 8.3107 117.9515 57.1949 40.8154 178.8201 9 G 3.6701 7.9273 106.0472 47.9756 0.0000 175.9592 10 V 3.6484 7.9726 121.0248 65.2913 31.4851 177.8228 11 A 4.0791 7.9496 120.0789 55.5573 18.1781 179.4101 12 D 4.2471 8.1791 117.3034 57.4681 40.7975 178.4613 13 Y 3.8147 7.9394 119.9620 60.6103 38.8766 178.1022 14 L 3.8452 8.6558 120.3035 58.0052 41.5626 179.6558 15 Q 3.6393 7.9764 116.2732 58.1312 28.5801 177.9181 16 T 3.7657 6.7473 115.5928 64.5564 69.4737 175.6196 17 Y 4.3365 7.0920 116.4979 56.7541 38.7489 175.6611 18 H 3.4586 7.3359 115.9739 55.5200 26.8281 174.3568 19 K 4.6783 7.1952 112.0975 55.9413 35.4752 175.1064 20 L 4.2442 8.2409 119.7519 53.2691 42.5728 175.3814 21 P 3.7330 0.0000 0.0000 62.4646 31.6672 177.4597 22 D 4.4666 8.3941 119.6760 56.5912 40.9221 177.0103 23 N 4.6350 8.0059 116.3394 52.8521 37.4525 173.4657 24 Y 5.2224 7.5948 117.4307 56.6598 41.0108 174.7742 25 I 4.8557 8.3886 115.1462 59.5105 41.7164 174.7310 26 T 4.5707 8.5992 114.0724 61.0008 70.4291 175.6030 27 K 3.9500 8.8810 120.8235 59.7295 31.8508 179.6503 28 S 4.2051 8.1752 114.8010 61.8711 62.6273 176.3646 29 E 3.9796 7.7701 119.4661 59.4787 29.5578 179.0832 30 A 4.1725 8.3061 120.8615 55.4379 18.5213 179.6936 31 Q 4.1582 8.8311 116.7355 59.1872 28.5629 178.9825 32 A 4.1115 8.2459 121.2579 54.7601 18.4935 178.8443 33 L 4.3444 7.6822 115.3995 55.0843 42.0601 177.6954 34 G 4.1150 7.9225 107.3025 44.7203 0.0000 173.6696 35 W 4.4212 8.1236 129.8857 57.0382 31.3211 175.4737 36 V 3.7820 8.9880 125.7364 60.5172 31.9508 175.3281 37 A 3.4687 7.3984 131.3739 55.3962 18.0390 179.1488 38 S 4.5988 7.8299 108.1208 59.9240 62.9856 174.7336 39 K 4.3351 8.2021 119.4082 55.1089 33.4101 176.3227 40 G 3.3235 7.5087 107.8034 46.5367 0.0000 174.3256 41 N 4.8868 8.0577 113.8233 52.3639 38.1741 176.0787 42 L 3.9728 8.5569 122.4115 59.3905 41.6824 179.6300 43 C 4.3902 8.3833 114.0594 60.0505 40.1395 175.5971 44 D 4.4722 7.8200 119.3549 57.6078 40.5991 178.8389 45 V 4.0684 7.7858 110.2065 62.4229 33.4103 176.5108 46 A 4.6053 8.3533 121.5667 48.7749 19.0702 172.0298 47 P 4.3815 0.0000 0.0000 63.9851 32.0834 177.2432 48 G 3.8560 8.9468 110.2939 45.3666 0.0000 172.9468 49 K 4.7207 7.5200 118.1377 54.9919 34.3702 175.9869 50 S 4.5305 8.3869 117.1541 56.5671 67.5665 173.4226 51 I 4.2836 7.8592 122.8614 61.1628 38.0673 175.3571 52 G 4.2187 8.9418 111.5626 47.0962 0.0000 173.3605 53 G 4.3541 9.7660 110.1676 44.8844 0.0000 174.3829 54 D 4.7224 8.1762 119.9897 53.8450 42.3130 175.9666 55 I 4.2591 8.3877 122.6620 61.5418 38.0261 175.0381 56 F 4.7541 8.7020 129.0909 56.5132 40.1213 175.9039 57 S 3.9480 8.1755 122.7122 59.6165 63.5039 173.7254 58 N 3.8390 6.7243 119.5362 55.0025 36.7690 176.4796 *59 R 4.0155 7.5887 116.3970 58.8497 29.9651 179.3728 60 E 4.2975 8.0898 113.9261 55.9413 30.0039 176.0953 61 G 3.9277 7.6575 108.9929 46.9616 0.0000 176.1572 *62 K 4.1378 8.2226 122.2254 56.2233 32.2753 179.6583 63 L 3.9007 7.3312 117.2963 52.0150 42.8120 174.6521 64 P 4.3154 0.0000 0.0000 62.7610 31.7400 176.7427 65 G 3.9989 8.4439 111.8653 44.8404 0.0000 172.1706 66 K 4.1850 7.8381 119.6974 56.1160 34.6974 174.7499 *67 S 4.4146 8.6578 120.8139 59.0742 62.6492 176.0029 68 G 3.9092 8.8401 113.3562 44.4510 0.0000 173.1216 69 R 3.9703 7.4927 120.6559 55.5869 30.7970 175.3899 70 T 4.6881 8.1301 115.1972 59.6140 72.1025 172.9535 71 W 5.0667 8.5634 121.8844 55.1803 32.7266 174.8123 72 R 5.1909 8.5310 120.8720 54.4366 34.4329 173.8075 73 E 5.5544 9.2546 118.3176 55.0115 33.6774 174.4558 74 A 4.9768 8.6515 120.3932 50.7414 22.9872 175.5487 75 D 5.0375 9.1944 122.3447 54.3744 40.5411 176.1102 76 I 4.4244 8.2563 122.3854 59.9451 41.0141 175.4261 77 N 4.2819 8.9986 120.5630 54.3443 36.7761 173.7152 78 Y 4.3189 7.3521 120.2244 57.4730 38.9121 174.4234 79 T 3.8951 7.1459 125.4647 63.6199 69.0309 176.1629 80 C 4.4033 6.8251 120.0842 58.0886 45.3443 174.6977 81 G 3.8114 8.6319 106.4469 45.7554 0.0000 173.3805 82 F 4.5298 8.4971 119.7548 57.2779 39.7085 175.4328 83 R 4.2437 8.8189 122.5591 56.5768 30.6733 176.9168 84 N 4.9521 8.5014 118.3953 52.2397 40.0944 174.6490 85 S 4.1666 8.4334 112.0764 58.8227 64.5189 173.1406 86 D 5.3605 8.4709 122.1079 53.8464 42.4495 175.7473 87 R 4.9214 9.4147 120.7532 55.0119 35.5263 173.5797 88 I 5.0986 9.1514 122.9706 59.5177 40.5339 174.1750 89 L 5.6088 9.5501 129.0762 53.1584 44.6378 175.0447 90 Y 5.7347 9.1434 121.7724 55.3703 41.6680 175.0927 91 S 4.0995 8.3311 116.6634 56.1318 65.4431 175.2190 92 S 3.4035 7.7590 114.7275 60.0937 62.7158 174.7980 93 D 4.4070 7.1594 118.9195 52.0700 39.3569 175.8988 94 W 3.8467 6.4905 117.2468 58.2700 27.1118 174.1724 95 L 4.6771 7.7153 117.8293 54.0805 43.1063 176.5325 96 I 5.4376 8.6961 123.8661 59.9635 40.3002 174.3843 97 Y 5.4089 10.0657 124.4827 56.0344 42.3638 174.4095 98 K 5.3311 9.2841 119.0524 55.7884 36.7415 175.1061 99 T 5.0408 9.3544 115.0713 59.7110 70.9294 174.0143 100 T 5.0338 8.6810 115.4147 60.0874 69.5138 173.3523 101 D 4.7289 7.0940 120.9747 54.0366 39.9739 174.6791 102 H 3.2953 8.3829 110.7584 58.4876 26.6529 174.9925 103 Y 3.2804 7.2029 109.2785 59.2898 36.2327 172.3097 104 Q 4.1590 7.8193 119.5673 58.4220 29.3712 176.6220 105 T 4.5502 8.0892 107.1821 59.5055 71.6946 172.4981 106 F 5.9729 8.3438 120.0781 55.1507 42.9719 174.4494 107 T 4.7228 8.4712 117.1130 61.5535 72.3404 173.0248 108 K 3.6190 8.5174 127.9573 55.8656 32.5671 176.3885 109 I 4.5118 8.5774 118.8017 60.4195 39.2565 175.6806 110 R 4.1798 7.5830 125.7439 56.8690 31.0119 174.5587 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 *3 V 8.05 4.05 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.88 4.14 1.77 0.00 0.00 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 1.50 1.08 0.94 0.00 0.00 5 N 8.60 5.11 0.00 2.82 2.83 0.00 0.00 6.34 7.22 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 6 T 7.75 4.66 4.26 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 1.20 0.00 0.00 7 F 8.37 4.26 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 8 D 8.31 4.55 0.00 2.75 2.76 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 0.00 0.00 0.00 9 G 7.93 3.67 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 0.00 0.00 0.00 10 V 7.97 3.65 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 0.85 0.00 0.00 1.04 0.00 0.00 11 A 7.95 4.08 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 12 D 8.18 4.25 0.00 2.82 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 13 Y 7.94 3.81 0.00 3.31 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 14 L 8.66 3.85 0.00 1.85 1.74 0.48 0.49 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 15 Q 7.98 3.64 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 16 T 6.75 3.77 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 0.44 0.00 0.00 17 Y 7.09 4.34 0.00 2.50 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 18 H 7.34 3.46 0.00 3.32 3.48 0.00 5.69 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 19 K 7.20 4.68 0.00 2.02 1.86 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.58 1.69 7.81 20 L 8.24 4.24 0.00 1.63 1.45 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.73 0.00 2.26 1.34 0.00 3.47 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.07 0.00 22 D 8.39 4.47 0.00 2.61 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 23 N 8.01 4.63 0.00 2.78 2.88 0.00 0.00 6.10 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 24 Y 7.59 5.22 0.00 2.96 2.85 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 25 I 8.39 4.86 1.86 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 1.18 0.72 0.90 0.00 0.00 26 T 8.60 4.57 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 K 8.88 3.95 0.00 1.97 2.21 0.00 1.96 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.80 7.81 28 S 8.18 4.21 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 29 E 7.77 3.98 0.00 2.09 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 2.37 0.00 30 A 8.31 4.17 1.24 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 0.00 0.00 0.00 31 Q 8.83 4.16 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 32 A 8.25 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.34 0.00 1.89 1.77 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.92 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 0.00 0.00 0.00 35 W 8.12 4.42 0.00 3.22 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 36 V 8.99 3.78 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 0.80 0.00 0.00 0.92 0.00 0.00 37 A 7.40 3.47 0.80 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 0.00 0.00 38 S 7.83 4.60 0.00 3.86 3.98 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 39 K 8.20 4.34 0.00 1.71 1.77 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.33 7.81 40 G 7.51 3.32 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 41 N 8.06 4.89 0.00 3.04 3.02 0.00 0.00 5.72 6.67 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 42 L 8.56 3.97 0.00 1.46 1.75 0.37 0.32 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 43 C 8.38 4.39 0.00 3.00 3.14 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 44 D 7.82 4.47 0.00 2.94 2.75 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 45 V 7.79 4.07 2.28 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 0.91 0.00 0.00 1.06 0.00 0.00 46 A 8.35 4.61 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.38 0.00 2.03 2.01 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 48 G 8.95 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 49 K 7.52 4.72 0.00 1.67 1.60 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.48 7.81 50 S 8.39 4.53 0.00 2.77 3.43 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 51 I 7.86 4.28 1.80 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.23 0.84 0.00 0.00 52 G 8.94 4.22 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 0.00 0.00 0.00 53 G 9.77 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 0.00 0.00 0.00 0.00 54 D 8.18 4.72 0.00 2.72 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 55 I 8.39 4.26 1.88 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 1.24 0.74 0.89 0.00 0.00 56 F 8.70 4.75 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 57 S 8.18 3.95 0.00 3.50 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 58 N 6.72 3.84 0.00 2.81 2.71 0.00 0.00 7.35 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 *59 R 7.59 4.02 0.00 1.87 1.84 0.00 3.31 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 60 E 8.09 4.30 0.00 2.24 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 2.27 1.86 0.00 61 G 7.66 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 *62 K 8.22 4.14 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.03 7.81 63 L 7.33 3.90 0.00 0.58 0.13 -0.70 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.32 0.00 2.30 2.14 0.00 3.23 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 65 G 8.44 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.19 0.00 1.82 1.54 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.30 0.88 7.81 *67 S 8.66 4.41 0.00 3.67 3.65 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 68 G 8.84 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 69 R 7.49 3.97 0.00 1.62 1.82 0.00 3.18 0.00 0.00 2.69 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.23 0.00 70 T 8.13 4.69 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 1.13 0.00 0.00 71 W 8.56 5.07 0.00 3.47 3.07 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 R 8.53 5.19 0.00 0.67 1.58 0.00 3.06 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.00 73 E 9.25 5.55 0.00 2.14 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 2.45 2.39 0.00 74 A 8.65 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.19 5.04 0.00 2.68 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 76 I 8.26 4.42 1.42 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 1.33 0.98 -0.37 0.00 0.00 77 N 9.00 4.28 0.00 2.76 2.86 0.00 0.00 6.91 7.32 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 78 Y 7.35 4.32 0.00 3.10 2.78 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 0.00 0.00 0.00 79 T 7.15 3.90 3.95 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 1.04 0.00 0.00 80 C 6.83 4.40 0.00 2.73 2.85 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 81 G 8.63 3.81 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 0.00 0.00 0.00 82 F 8.50 4.53 0.00 3.18 3.07 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 83 R 8.82 4.24 0.00 2.00 1.97 0.00 3.28 0.00 0.00 3.56 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 84 N 8.50 4.95 0.00 2.85 2.96 0.00 0.00 6.02 7.64 0.00 0.00 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 S 8.43 4.17 0.00 3.82 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 86 D 8.47 5.36 0.00 2.93 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 87 R 9.41 4.92 0.00 1.65 1.85 0.00 3.55 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.21 0.00 88 I 9.15 5.10 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.92 1.02 0.00 0.00 89 L 9.55 5.61 0.00 1.56 1.42 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.14 5.73 0.00 3.17 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 91 S 8.33 4.10 0.00 2.91 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 92 S 7.76 3.40 0.00 3.69 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 93 D 7.16 4.41 0.00 2.67 2.57 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 0.00 0.00 0.00 0.00 94 W 6.49 3.85 0.00 3.56 3.39 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 95 L 7.72 4.68 0.00 1.62 2.02 1.08 0.93 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 96 I 8.70 5.44 2.01 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.29 1.13 0.00 0.00 97 Y 10.07 5.41 0.00 2.84 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 98 K 9.28 5.33 0.00 1.29 1.64 0.00 0.61 0.00 0.00 0.78 0.00 0.00 2.58 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.20 1.12 7.81 99 T 9.35 5.04 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 1.09 0.00 0.00 100 T 8.68 5.03 4.36 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 0.00 0.00 1.23 0.00 0.00 101 D 7.09 4.73 0.00 2.72 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 0.00 102 H 8.38 3.30 0.00 3.31 3.44 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.20 3.28 0.00 3.27 3.33 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 0.00 104 Q 7.82 4.16 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 105 T 8.09 4.55 4.17 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 0.00 0.00 0.00 1.16 0.00 0.00 106 F 8.34 5.97 0.00 2.99 3.14 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 0.00 107 T 8.47 4.72 4.17 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 0.00 0.00 0.00 1.16 0.00 0.00 108 K 8.52 3.62 0.00 0.95 1.42 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.21 0.99 7.81 109 I 8.58 4.51 1.86 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 1.37 0.94 0.79 0.00 0.00 110 R 7.58 4.18 0.00 1.89 1.84 0.00 3.34 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.