NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 5.0175 8.4449 116.3671 55.3148 29.9134 172.6264 13 F 4.2203 9.0670 120.4834 56.3690 39.7992 173.2995 14 H 4.8695 9.7399 124.9932 54.5938 32.7376 172.1578 15 Y 5.0504 8.3594 124.2775 56.8744 40.0164 175.6370 16 T 4.5342 8.1980 113.3269 59.8405 72.4986 176.0567 17 V 3.5281 8.1213 119.5859 66.5249 31.3268 177.6708 18 T 3.7764 7.8743 114.7474 66.7894 68.2334 175.7622 19 D 4.1673 7.9664 120.4364 57.6277 40.8062 179.1400 20 I 3.0207 7.6990 120.0653 63.9410 37.1027 178.3884 21 K 3.8313 8.4062 120.7325 59.7559 32.0395 178.6741 22 D 4.2896 8.2091 119.3363 56.9770 40.6557 178.8916 23 L 3.6181 7.7187 120.2687 57.8454 41.2852 179.5515 24 T 4.0412 7.8362 110.0884 64.9003 68.4174 176.5543 25 K 4.0059 7.7731 119.9499 58.3888 32.1087 178.3782 26 L 4.1639 7.5507 119.6814 55.3480 42.0721 177.3431 27 G 3.9491 7.5559 105.8153 45.2975 0.0000 173.1712 28 A 4.9321 7.7708 120.8381 51.3868 19.6500 177.7216 29 I 4.5205 8.7085 112.8043 59.3806 40.7560 173.7991 30 Y 4.0684 7.5863 124.8733 55.7972 40.0626 174.7424 31 D 4.1172 8.0020 127.1751 52.4938 39.4644 176.6647 32 K 3.2594 8.0371 126.6845 59.5540 32.1883 179.9355 33 T 3.9542 7.4872 106.7370 63.8836 68.9461 174.8948 34 K 3.8950 7.1128 122.2418 56.0248 32.4694 177.9768 35 K 4.1148 7.9507 116.7143 56.5976 31.1851 175.2208 36 Y 5.1648 6.5211 115.5970 54.7665 41.8996 174.9074 37 W 5.1432 9.5967 120.1894 56.8310 30.9920 175.5839 38 V 5.1663 9.6808 122.5826 61.5625 34.6578 173.7870 39 Y 5.0171 8.8902 127.4675 56.6381 42.4652 174.8937 40 Q 2.9740 8.9044 124.7023 57.0476 26.3476 174.6154 41 G 3.9274 8.3972 102.4883 45.6977 0.0000 173.8815 42 K 4.7654 7.6218 118.5630 53.3731 35.9865 174.0227 43 P 4.7084 0.0000 0.0000 62.9468 32.1785 176.3949 44 V 4.8462 8.3666 127.5733 61.6772 33.9904 173.1240 *46 P 3.9568 0.0000 0.0000 62.1093 32.8395 177.0227 47 D 4.2615 8.7535 118.1033 57.7721 41.1035 178.2034 48 Q 4.0247 8.0390 119.5656 59.0482 29.0822 177.6688 49 F 3.8360 8.2755 121.1474 61.6706 39.4031 176.8559 50 T 3.9932 8.1742 115.2655 66.7093 68.2569 176.2698 51 F 4.0743 8.6885 122.6459 61.3863 39.5169 176.7680 52 E 3.6606 8.7040 118.5887 59.2966 29.2145 179.1769 53 L 3.8323 7.8665 120.0251 58.2371 42.1508 178.9976 54 L 3.9233 8.1145 119.1753 57.7203 41.4801 178.9260 55 D 4.0473 8.1431 118.2176 57.3108 40.6782 178.1439 56 F 4.0483 8.0552 120.9307 61.3010 39.2078 177.0883 57 L 3.8353 8.1540 118.6856 57.9914 41.3326 179.0100 58 H 4.0320 8.3580 118.4017 59.2027 29.5363 177.2505 59 Q 3.4125 7.8550 119.2528 58.7000 28.5633 178.3783 60 L 4.1265 7.0612 117.4678 56.0297 41.9210 177.6900 61 T 4.3197 7.2039 106.9940 60.8696 70.6162 173.9127 62 H 3.5372 8.5590 117.6610 55.9404 26.9986 174.9215 63 L 4.1342 7.3271 117.8974 54.5317 41.8045 177.4866 64 S 4.4962 8.3881 116.4070 57.7023 63.9983 174.8671 65 F 4.4036 8.7677 122.0700 61.6840 39.2945 176.1178 66 S 4.0956 8.3103 116.1122 61.7518 62.9816 176.1669 67 K 4.3094 7.7254 116.6355 56.9659 31.7912 178.5203 *69 K 4.2361 8.1515 121.2566 56.5319 33.9777 177.7788 70 A 3.9926 7.7144 120.5611 55.0422 17.9575 179.3421 71 L 3.9322 7.8606 118.0384 58.0996 42.3935 179.0534 72 L 4.1390 7.8183 118.4191 58.0582 41.7601 179.0916 73 E 4.0834 8.3789 118.4527 59.5220 29.1488 179.4643 74 R 3.9564 7.7687 116.6906 58.0297 30.3665 178.3335 75 S 4.2302 8.2334 113.3886 58.7186 64.5864 173.6417 76 H 4.0784 7.3674 117.9201 56.8632 26.2189 174.4366 77 S 4.3433 7.6637 113.0219 57.5922 63.3954 172.4708 78 P 4.2620 0.0000 0.0000 64.4807 31.4187 175.8866 79 Y 4.9341 7.7504 115.5980 56.4549 39.8489 176.1640 80 Y 4.4449 8.6738 125.9508 57.0924 42.1279 173.1322 *82 L 4.1619 8.3603 118.7095 55.7591 43.5262 177.6754 83 N 4.1710 8.8337 122.2105 54.0830 36.1528 176.4669 84 R 3.8516 7.6214 117.2100 59.7050 30.1171 176.5104 85 D 4.5314 8.0514 117.6353 57.5112 41.0584 178.9468 86 R 3.8865 7.9682 118.4322 59.8449 30.2142 178.5912 87 T 3.8692 7.9266 115.4528 66.4014 68.4864 176.3491 88 L 3.7082 8.3588 122.6003 57.8911 42.0247 178.7990 89 K 3.1079 7.4768 119.5237 59.3188 32.0325 177.7741 90 N 4.1585 7.8619 117.1483 56.9775 38.5345 176.5935 91 I 3.6716 7.4610 119.4867 64.5645 37.6533 178.2747 92 T 3.7796 7.4932 110.2504 64.9681 68.4727 176.4137 93 E 4.1232 8.4784 120.7425 57.7900 29.5006 177.6809 94 T 4.3879 7.2539 106.4951 61.0703 69.8772 174.3097 95 C 4.2665 7.8439 123.8203 59.4875 32.2093 174.0116 96 K 4.0633 8.7341 128.4227 59.1234 31.7911 179.2320 97 A 4.4207 7.8435 122.2345 54.9848 18.1836 179.2973 98 C 4.1168 8.0752 113.2914 62.7929 28.2767 175.7374 99 A 4.1499 7.9310 122.4961 55.1454 17.9034 179.8111 100 Q 3.9854 8.2544 116.5384 59.2439 28.7638 179.1096 101 V 3.8443 7.6961 110.8330 62.9672 31.6274 176.1525 102 N 4.8211 7.8407 114.2769 53.1407 40.1709 174.7410 103 A 4.4978 7.9073 119.6975 53.2205 19.0263 178.4676 104 S 4.5603 7.3910 112.8673 57.7575 62.1269 174.3505 105 K 4.6533 7.5909 119.0150 55.6057 35.1637 176.9351 106 S 4.2054 8.4120 115.7046 58.5745 63.1189 173.6124 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 12 H 8.44 5.02 0.00 3.41 3.46 0.00 5.51 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 13 F 9.07 4.22 0.00 3.18 3.51 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 14 H 9.74 4.87 0.00 3.06 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.36 5.05 0.00 2.90 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 16 T 8.20 4.53 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 1.29 0.00 0.00 17 V 8.12 3.53 2.07 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 0.89 0.00 0.00 0.93 0.00 0.00 18 T 7.87 3.78 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 1.20 0.00 0.00 19 D 7.97 4.17 0.00 2.85 2.35 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 20 I 7.70 3.02 1.94 0.00 0.00 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 1.42 0.84 0.98 0.00 0.00 21 K 8.41 3.83 0.00 1.76 1.91 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 22 D 8.21 4.29 0.00 2.66 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 23 L 7.72 3.62 0.00 0.70 0.55 -0.28 0.28 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 24 T 7.84 4.04 4.33 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 1.51 0.00 0.00 25 K 7.77 4.01 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.42 7.81 26 L 7.55 4.16 0.00 1.57 1.48 0.74 0.68 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 27 G 7.56 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 0.00 0.00 0.00 0.00 28 A 7.77 4.93 1.51 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 0.00 0.00 29 I 8.71 4.52 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.96 0.00 0.00 30 Y 7.59 4.07 0.00 1.43 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 31 D 8.00 4.12 0.00 2.31 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 32 K 8.04 3.26 0.00 1.65 1.68 0.00 1.38 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 33 T 7.49 3.95 4.11 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 1.12 0.00 0.00 34 K 7.11 3.89 0.00 1.81 0.74 0.00 1.51 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.91 1.23 7.81 35 K 7.95 4.11 0.00 2.08 2.14 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.34 7.81 36 Y 6.52 5.16 0.00 3.24 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 37 W 9.60 5.14 0.00 3.72 3.45 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 38 V 9.68 5.17 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 1.07 0.00 0.00 1.17 0.00 0.00 39 Y 8.89 5.02 0.00 2.88 2.29 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 40 Q 8.90 2.97 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 41 G 8.40 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 42 K 7.62 4.77 0.00 1.90 1.89 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.61 7.81 43 P 0.00 4.71 0.00 1.81 0.86 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 44 V 8.37 4.85 2.29 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 0.94 0.00 0.00 1.21 0.00 0.00 *46 P 0.00 3.96 0.00 2.36 2.13 0.00 3.79 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 47 D 8.75 4.26 0.00 2.82 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 48 Q 8.04 4.02 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 49 F 8.28 3.84 0.00 3.09 2.93 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 50 T 8.17 3.99 4.53 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 1.28 0.00 0.00 51 F 8.69 4.07 0.00 3.02 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 52 E 8.70 3.66 0.00 1.92 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 2.40 2.63 0.00 53 L 7.87 3.83 0.00 1.76 1.93 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.11 3.92 0.00 1.69 1.60 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.14 4.05 0.00 1.74 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 0.00 0.00 0.00 0.00 56 F 8.06 4.05 0.00 3.11 3.21 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 57 L 8.15 3.84 0.00 1.85 1.66 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.36 4.03 0.00 3.13 3.31 0.00 5.79 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 59 Q 7.85 3.41 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 60 L 7.06 4.13 0.00 1.35 1.50 0.27 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.20 4.32 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 1.13 0.00 0.00 62 H 8.56 3.54 0.00 3.15 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.33 4.13 0.00 1.61 1.63 0.91 1.26 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 64 S 8.39 4.50 0.00 4.08 4.07 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 65 F 8.77 4.40 0.00 2.95 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 66 S 8.31 4.10 0.00 3.91 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 67 K 7.73 4.31 0.00 2.03 1.83 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *69 K 8.15 4.24 0.00 2.09 1.93 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.51 7.81 70 A 7.71 3.99 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 71 L 7.86 3.93 0.00 1.88 1.73 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.82 4.14 0.00 1.97 1.72 0.96 1.00 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 73 E 8.38 4.08 0.00 2.01 2.03 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 2.36 2.54 0.00 74 R 7.77 3.96 0.00 2.06 1.95 0.00 3.15 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 75 S 8.23 4.23 0.00 4.01 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 76 H 7.37 4.08 0.00 3.41 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.66 4.34 0.00 3.91 3.84 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 0.00 0.00 0.00 78 P 0.00 4.26 0.00 1.17 1.77 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 79 Y 7.75 4.93 0.00 2.89 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 80 Y 8.67 4.44 0.00 3.17 2.98 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 *82 L 8.36 4.16 0.00 1.70 1.57 0.90 0.75 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 83 N 8.83 4.17 0.00 3.04 2.84 0.00 0.00 6.78 7.66 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 84 R 7.62 3.85 0.00 1.76 1.81 0.00 3.20 0.00 0.00 3.29 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 85 D 8.05 4.53 0.00 2.92 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 86 R 7.97 3.89 0.00 1.89 1.92 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 87 T 7.93 3.87 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 88 L 8.36 3.71 0.00 1.71 1.31 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.48 3.11 0.00 1.73 1.83 0.00 2.00 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.53 7.81 90 N 7.86 4.16 0.00 2.86 2.98 0.00 0.00 7.32 7.92 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 91 I 7.46 3.67 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.86 0.71 0.00 0.00 92 T 7.49 3.78 4.20 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 1.13 0.00 0.00 93 E 8.48 4.12 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 94 T 7.25 4.39 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 1.27 0.00 0.00 95 C 7.84 4.27 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.73 4.06 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.51 7.81 97 A 7.84 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 C 8.08 4.12 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.93 4.15 1.42 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 0.00 100 Q 8.25 3.99 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 101 V 7.70 3.84 2.07 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 0.69 0.00 0.00 0.99 0.00 0.00 102 N 7.84 4.82 0.00 3.00 2.74 0.00 0.00 6.95 8.03 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 0.00 103 A 7.91 4.50 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 0.00 104 S 7.39 4.56 0.00 4.03 3.92 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 0.00 105 K 7.59 4.65 0.00 1.85 1.81 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.38 7.81 106 S 8.41 4.21 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.