NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7448 8.2085 109.7402 45.2790 0.0000 173.1648 *23 A 4.2480 7.6357 121.6324 51.9848 19.6512 176.2451 24 S 4.5675 8.4208 116.2396 57.4717 63.4776 174.0770 25 I 4.0960 8.1627 124.6969 62.2009 38.2304 176.2722 26 V 3.2915 7.5605 120.8981 61.9877 31.5376 175.9327 27 G 3.8157 7.6518 114.0939 44.4942 0.0000 170.9207 28 S 4.6326 7.3942 115.5660 56.6122 65.0069 173.7109 29 W 5.1181 8.8279 124.6048 55.0505 31.7466 175.1354 30 V 5.3738 9.3911 118.0159 59.5600 35.8887 174.3941 31 E 5.1054 9.5122 119.3987 53.7720 33.1582 173.5194 32 P 4.8132 0.0000 0.0000 62.9150 32.6643 175.9825 33 V 4.0161 8.6396 123.1523 61.2586 32.6790 173.8406 34 P 4.3680 0.0000 0.0000 64.4108 31.4902 176.8496 35 G 3.9168 8.9871 110.1514 45.7510 0.0000 173.6520 36 L 4.5503 7.8215 122.7183 52.3908 42.1541 175.5378 37 E 4.1370 8.4386 118.3159 57.4829 30.1899 175.6770 38 G 4.2038 9.0324 111.1827 44.5817 0.0000 173.7971 39 Q 4.4586 7.7614 118.0285 55.4331 30.2076 175.7637 40 V 5.1779 8.2600 114.5446 59.8151 36.0572 174.6804 41 Q 4.7158 9.1308 119.2802 54.7464 32.2674 175.2668 42 G 3.9775 7.7365 106.8041 46.3614 0.0000 171.1669 43 I 4.8743 7.4112 120.4943 59.5528 41.5254 175.4514 44 K 4.7700 8.9234 128.1680 54.8335 35.3260 174.3807 *46 E 4.5330 8.3851 119.2204 55.7265 31.2080 175.8353 47 E 4.2998 8.8608 120.8478 58.5956 29.9227 177.9995 48 G 3.8585 8.6601 111.2391 44.9625 0.0000 174.3232 49 G 3.2454 8.2329 108.3588 44.4302 0.0000 173.4400 50 V 4.3731 7.6002 119.5975 62.7427 32.1517 174.9457 51 A 5.4408 8.7723 129.0210 50.4981 22.0547 175.4216 52 S 5.0920 8.7719 113.1617 56.7827 66.8880 173.8053 53 S 4.8126 8.8924 117.8344 58.7540 63.9261 173.8720 54 V 4.0201 8.9570 124.2561 61.8127 33.1466 172.7876 55 N 4.2462 8.9338 127.9337 53.8317 36.3049 172.6885 *57 A 4.4378 8.1451 125.2139 51.9358 20.9303 178.2063 58 T 4.1964 7.8665 111.9713 65.6444 69.9580 174.9435 59 L 4.7405 7.9098 120.9214 53.1406 43.4951 177.0815 60 V 4.3250 8.8122 125.1114 60.9024 32.2311 173.9829 61 Y 4.2996 9.0039 124.6120 58.0854 38.8843 176.1113 62 E 4.7378 9.6422 120.7281 57.5626 33.1982 175.9086 63 S 5.4852 7.9993 111.8878 56.6200 66.9969 173.0916 64 W 5.8154 8.7110 117.0244 55.0719 31.3461 174.6767 65 K 4.2207 9.1731 119.6459 54.8899 36.5457 174.7959 66 Q 5.1619 8.7495 124.7248 54.4165 31.5599 174.3426 67 E 4.6011 9.0024 126.2256 55.2577 32.5700 176.2111 68 G 4.3570 8.3803 115.0293 47.4091 0.0000 173.6523 69 T 4.4752 8.5173 114.5996 60.8094 69.0519 172.8797 70 K 4.6939 8.4064 124.4798 55.7026 34.0404 174.8477 71 L 5.2797 8.4850 128.3062 53.3808 44.9084 174.6262 72 I 4.9969 9.0822 127.0589 59.5615 40.2174 174.4462 73 L 5.6504 9.3706 127.3880 53.1788 45.0942 175.7538 74 T 4.7537 9.2005 112.4209 60.0369 72.7243 174.1722 75 G 3.2610 6.2457 107.6168 45.5804 0.0000 171.9045 76 K 5.2484 7.8097 117.8973 55.2201 36.5915 175.5099 77 S 5.3318 9.1363 116.3028 56.8660 65.7683 172.7995 78 I 4.9871 9.3878 122.9632 58.5163 39.5111 175.6108 79 G 4.2203 9.1891 118.6422 46.2983 0.0000 171.7483 80 N 4.2998 9.1085 115.0413 53.9570 35.9856 174.7151 81 G 4.0403 8.4594 102.7849 46.3500 0.0000 174.1233 82 Q 4.6634 8.1037 116.5865 54.1302 33.0953 173.9923 83 T 5.2666 8.2044 108.9754 60.1928 72.1130 173.2305 84 I 4.6727 8.5666 123.9532 59.5098 41.0225 174.8975 85 E 4.6470 8.9704 126.7288 56.4633 30.4193 176.0385 86 F 5.1150 8.6881 116.8656 55.3588 42.1826 173.5230 87 V 4.9183 8.5376 118.5766 61.4770 34.1938 174.0750 88 D 5.3814 9.8028 127.9059 52.7813 44.0133 175.2512 89 T 5.5201 8.2099 110.7014 58.8557 72.5379 172.7292 *91 D 4.5475 8.4175 120.8773 54.3065 42.7393 174.7609 92 I 4.2888 8.6868 125.0853 61.2561 36.9268 175.8954 93 K 4.3867 9.1405 127.4439 57.4751 33.6295 177.2640 94 R 4.6215 7.5724 119.0752 54.8215 33.8147 173.9462 95 L 4.8583 8.4018 127.8991 54.3569 43.2695 174.3943 96 T 4.7724 9.0212 117.1895 59.5400 71.8627 174.3604 97 A 4.3197 8.7580 122.8849 54.7253 18.5782 178.0194 98 D 4.9780 7.8598 113.6108 54.2468 43.1045 175.9203 99 S 5.4031 8.4646 114.8969 56.6091 67.6170 173.1357 100 L 4.6247 8.8176 124.3703 53.4013 45.0147 175.0032 101 V 4.7251 8.6288 127.4254 61.1585 33.5740 174.4298 102 L 5.2043 8.9690 127.8525 52.9652 45.3031 175.1298 103 D 4.7563 8.9988 121.0331 52.8899 43.6304 175.2608 104 N 4.5737 9.1361 128.3004 53.4828 38.3824 174.5906 105 Q 3.2741 9.5446 126.9614 55.6655 25.9733 173.8809 106 G 4.0901 8.4130 104.2019 46.1625 0.0000 173.3318 *108 E 4.3147 7.6431 117.1905 55.9051 31.3108 175.3173 109 I 4.5156 8.6554 125.7394 59.2790 41.7220 173.6678 110 R 4.9835 8.4150 127.5462 54.6229 32.3852 174.7555 111 Y 5.1515 9.1796 121.1720 56.1905 41.7944 174.5328 112 A 5.5395 9.1607 123.3287 49.7923 22.5001 175.8785 113 K 3.7425 8.6988 122.4083 55.9897 32.7210 176.7245 114 Q 4.0437 8.4825 132.2962 56.6144 29.7400 176.9015 115 K 4.1468 8.4962 126.2290 54.8742 31.8973 174.4538 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 0 G 8.21 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 *23 A 7.64 4.25 1.34 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 0.00 0.00 24 S 8.42 4.57 0.00 3.89 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 25 I 8.16 4.10 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.66 0.57 0.00 0.00 26 V 7.56 3.29 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 0.79 0.00 0.00 1.11 0.00 0.00 27 G 7.65 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.39 4.63 0.00 3.56 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 29 W 8.83 5.12 0.00 2.83 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 30 V 9.39 5.37 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 0.73 0.00 0.00 0.97 0.00 0.00 31 E 9.51 5.11 0.00 1.91 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 0.00 2.52 2.32 0.00 32 P 0.00 4.81 0.00 1.96 2.04 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 33 V 8.64 4.02 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 0.96 0.00 0.00 1.01 0.00 0.00 34 P 0.00 4.37 0.00 2.10 2.01 0.00 4.10 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 35 G 8.99 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 0.00 0.00 0.00 36 L 7.82 4.55 0.00 1.70 1.59 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.44 4.14 0.00 1.98 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 2.24 1.90 0.00 38 G 9.03 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 0.00 0.00 0.00 0.00 39 Q 7.76 4.46 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 40 V 8.26 5.18 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 0.76 0.00 0.00 0.94 0.00 0.00 41 Q 9.13 4.72 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 42 G 7.74 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 0.00 0.00 0.00 43 I 7.41 4.87 1.48 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.35 0.60 0.00 0.00 44 K 8.92 4.77 0.00 1.72 1.66 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.31 7.81 *46 E 8.39 4.53 0.00 2.15 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 2.33 2.42 0.00 47 E 8.86 4.30 0.00 2.02 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 0.00 2.42 2.33 0.00 48 G 8.66 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 G 8.23 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 0.00 0.00 0.00 50 V 7.60 4.37 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 0.91 0.00 0.00 0.96 0.00 0.00 51 A 8.77 5.44 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 52 S 8.77 5.09 0.00 3.93 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 53 S 8.89 4.81 0.00 3.90 3.99 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 54 V 8.96 4.02 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 0.94 0.00 0.00 0.90 0.00 0.00 55 N 8.93 4.25 0.00 2.87 2.94 0.00 0.00 7.16 7.96 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 *57 A 8.15 4.44 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 58 T 7.87 4.20 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 1.25 0.00 0.00 59 L 7.91 4.74 0.00 1.61 1.55 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.81 4.32 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 1.08 0.00 0.00 0.96 0.00 0.00 61 Y 9.00 4.30 0.00 3.09 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 62 E 9.64 4.74 0.00 1.77 1.89 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 2.20 2.34 0.00 63 S 8.00 5.49 0.00 3.78 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.71 5.82 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 65 K 9.17 4.22 0.00 1.66 1.57 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.16 1.16 7.81 66 Q 8.75 5.16 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 67 E 9.00 4.60 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 68 G 8.38 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 0.00 0.00 0.00 0.00 69 T 8.52 4.48 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 1.22 0.00 0.00 70 K 8.41 4.69 0.00 1.83 1.83 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.40 7.81 71 L 8.48 5.28 0.00 1.81 1.51 1.16 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.08 5.00 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.96 0.00 0.00 73 L 9.37 5.65 0.00 1.85 1.94 0.92 0.43 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 74 T 9.20 4.75 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 1.19 0.00 0.00 75 G 6.25 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 76 K 7.81 5.25 0.00 1.84 1.92 0.00 1.27 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.35 7.81 77 S 9.14 5.33 0.00 3.89 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 78 I 9.39 4.99 1.89 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 1.18 0.79 0.92 0.00 0.00 79 G 9.19 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 80 N 9.11 4.30 0.00 2.88 2.91 0.00 0.00 6.90 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 81 G 8.46 4.04 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 0.00 0.00 0.00 82 Q 8.10 4.66 0.00 2.29 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 83 T 8.20 5.27 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 84 I 8.57 4.67 1.92 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 1.24 0.73 0.95 0.00 0.00 85 E 8.97 4.65 0.00 1.82 1.79 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 2.26 2.20 0.00 86 F 8.69 5.12 0.00 3.02 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 87 V 8.54 4.92 2.14 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 0.89 0.00 0.00 0.92 0.00 0.00 88 D 9.80 5.38 0.00 2.80 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 89 T 8.21 5.52 4.28 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 0.00 0.00 0.00 1.26 0.00 0.00 *91 D 8.42 4.55 0.00 2.65 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 92 I 8.69 4.29 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.81 0.00 0.00 93 K 9.14 4.39 0.00 1.54 1.83 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.48 7.81 94 R 7.57 4.62 0.00 1.81 1.65 0.00 3.14 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 95 L 8.40 4.86 0.00 1.51 1.46 0.87 0.92 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 96 T 9.02 4.77 4.29 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 1.23 0.00 0.00 97 A 8.76 4.32 1.32 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 98 D 7.86 4.98 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.46 5.40 0.00 3.78 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 4.62 0.00 0.27 0.59 0.45 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.63 4.73 2.02 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 0.75 0.00 0.00 0.89 0.00 0.00 102 L 8.97 5.20 0.00 1.56 1.51 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 103 D 9.00 4.76 0.00 2.58 2.50 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 0.00 104 N 9.14 4.57 0.00 2.72 2.72 0.00 0.00 7.27 7.08 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 0.00 105 Q 9.54 3.27 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.16 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 106 G 8.41 4.09 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 0.00 0.00 0.00 *108 E 7.64 4.31 0.00 1.99 1.86 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 2.13 2.39 0.00 109 I 8.66 4.52 1.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.42 0.92 0.00 0.00 110 R 8.42 4.98 0.00 1.61 1.76 0.00 3.16 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 111 Y 9.18 5.15 0.00 2.84 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 0.00 112 A 9.16 5.54 1.29 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 0.00 0.00 113 K 8.70 3.74 0.00 1.39 1.56 0.00 1.21 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.13 7.81 114 Q 8.48 4.04 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 115 K 8.50 4.15 0.00 1.82 1.56 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.