NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3072 8.2649 123.5806 50.8764 19.9492 176.5546 2 P 4.3747 0.0000 0.0000 61.3871 31.7171 174.9285 3 Q 4.5923 8.6800 118.6580 55.5715 30.1111 174.5668 4 N 4.8656 7.4649 115.9723 51.2699 41.3492 174.7254 5 I 3.7888 8.2155 119.2989 64.2021 37.9455 177.7323 6 T 3.8738 7.8765 116.5338 66.6114 68.1253 176.3460 7 E 3.9969 8.5539 119.7532 59.1664 29.6843 178.9505 8 L 4.1095 7.9796 119.1961 58.0488 41.8019 178.8121 9 C 4.4019 8.6210 118.6059 59.6405 43.2988 175.6895 10 S 3.9976 7.5047 115.4789 61.1709 62.4322 175.7385 11 E 4.0399 8.0941 119.7869 56.8627 29.5200 176.1183 12 Y 4.7838 6.8480 115.9797 56.1963 40.3811 174.5117 13 H 4.6960 9.0840 121.8462 56.5797 30.8160 174.8923 14 N 4.2211 8.7628 123.5584 55.1680 35.6560 173.1920 15 T 4.9433 7.7649 106.0484 60.0181 72.3260 173.7968 16 Q 4.6515 8.6619 119.1230 54.5827 32.6506 173.8771 17 I 4.4708 8.2998 121.1148 61.1304 38.5769 174.8730 18 Y 4.7537 9.2884 128.0830 55.9017 40.9580 173.9631 19 E 4.6272 8.9182 129.2654 55.1567 29.7280 175.2778 20 L 4.2497 8.0674 126.5828 53.3602 42.5871 176.3697 21 N 4.1583 7.7177 115.5135 53.9575 36.0307 173.3952 22 K 4.7266 7.8420 116.0607 54.5288 36.9175 176.4626 23 E 4.7423 8.5766 118.8119 55.3168 30.9193 176.3776 24 I 3.4240 8.2436 121.8273 61.5240 37.7295 176.1855 25 K 4.4871 8.7641 125.0495 58.2303 33.3314 177.5393 26 T 4.5608 7.6169 115.3175 61.7689 73.0003 172.4591 27 Y 4.7744 8.0620 126.0905 56.0249 41.3317 174.4459 28 T 4.6221 8.5968 123.6818 61.4670 72.0970 172.9976 29 E 5.1656 8.4555 122.6345 54.6171 32.7418 174.8352 30 S 4.7382 8.8930 116.1638 56.3284 67.0270 173.1544 31 L 4.4476 8.5817 121.8723 54.9135 40.8275 176.2493 32 A 4.7012 8.5188 125.5045 49.6418 22.4747 175.3369 33 G 3.4396 8.1187 108.6620 46.8393 0.0000 172.6117 34 Y 4.5120 9.6042 124.2582 57.8312 36.5648 169.5265 35 R 4.7585 7.2656 110.8265 54.5012 32.7842 173.2934 36 E 4.6489 8.4607 118.3664 55.4611 31.0582 175.8503 37 M 4.2636 8.8985 124.6232 55.4421 33.8677 174.9735 38 V 4.6936 8.3706 124.7934 61.1030 35.0661 173.9074 39 I 5.1777 8.7748 128.5518 59.3802 40.6756 174.4676 40 I 5.0938 8.9289 120.3250 59.1089 40.7923 174.5964 41 S 5.2136 8.8198 117.6051 56.9275 66.9587 172.7527 42 F 5.0619 8.8585 119.0470 55.3553 41.6251 176.7564 43 A 4.0090 9.0270 122.6539 55.3206 18.1311 178.3061 44 N 4.5909 8.3152 110.6656 53.3196 37.8200 176.0827 45 G 3.9196 8.4724 108.2724 44.9335 0.0000 173.7973 46 A 4.1383 8.3091 122.9515 52.6470 19.3837 176.8260 47 T 5.0954 7.8587 118.2771 61.7365 72.1518 173.4857 48 F 5.2754 9.2780 123.6053 55.7573 43.9719 173.7204 49 Q 5.1838 9.2055 118.9853 54.5429 32.2889 174.5992 50 V 4.3309 7.9551 120.1337 61.9153 32.4750 174.6402 51 E 4.6718 8.4041 125.8757 55.1468 33.1225 175.6723 52 V 3.4559 8.4400 120.2020 60.9327 32.1820 174.0722 53 P 4.3596 0.0000 0.0000 62.7510 31.7947 175.8525 *65 L 4.4271 7.8762 121.6587 55.4930 43.8062 178.6027 66 E 4.0345 8.1231 116.6038 59.3526 29.3836 178.8114 67 R 3.8674 7.9526 119.1460 59.3789 30.1898 177.9893 68 M 4.0428 8.0296 117.4338 58.6063 32.2732 177.9351 69 K 4.0127 8.1957 118.5965 59.7527 32.2623 178.8983 70 D 4.3806 8.2095 118.9049 57.7875 40.7356 179.1297 71 T 3.9152 8.0716 116.1913 66.6484 68.4158 176.8913 72 L 4.1010 8.3416 121.2647 57.7011 41.5734 179.5024 73 R 3.4790 8.3994 118.6541 59.2216 29.9865 178.3568 74 A 3.9471 8.1806 120.3633 55.1960 18.3915 179.4458 75 A 3.9742 8.2656 119.2991 55.3049 18.2031 179.1626 76 Y 3.9171 8.0434 117.1265 61.0667 39.0260 178.0337 77 F 3.7516 8.4742 117.6702 60.2090 39.0879 177.0228 78 T 4.3316 7.9197 107.3531 61.0826 69.2295 175.4021 79 G 3.7792 7.8398 109.4040 46.3606 0.0000 173.8633 80 I 3.8983 7.6242 119.5934 60.6874 36.4441 175.8919 81 K 4.2904 8.4704 123.8343 56.1255 33.6775 176.0438 82 V 4.1099 8.7508 125.9684 62.4418 32.2778 176.2591 83 S 4.1033 9.1332 124.0353 60.6729 63.0980 173.7631 84 K 5.0265 7.7440 117.6309 54.4652 36.6586 174.7997 85 L 5.0390 8.4759 122.0945 53.0259 45.5963 174.6073 86 C 5.1122 8.7731 122.8117 55.0815 46.6333 172.8808 87 V 4.9047 8.3572 119.2507 59.0854 35.2168 175.0289 88 W 4.9902 9.3735 124.8511 55.9280 29.8023 176.3178 89 N 5.1497 9.1119 121.8299 52.5037 37.6486 174.9726 90 N 4.8657 8.2515 115.3084 52.6116 37.9168 174.4672 91 K 4.5806 7.8226 118.1218 55.0571 35.0862 175.0090 92 T 4.5648 8.2547 116.5835 59.2651 69.1597 171.6786 93 P 4.5000 0.0000 0.0000 62.3802 32.5027 175.9730 94 N 4.9746 8.5773 117.8451 53.4114 39.8029 174.1167 95 S 5.3103 8.7558 116.6889 57.3975 64.8769 172.6635 96 I 4.6050 8.3381 125.9094 60.3469 37.4160 175.4873 97 A 3.9286 8.7327 129.1674 53.4167 19.8805 176.7372 98 A 4.5494 7.1531 114.2701 51.1284 22.7975 175.1897 99 I 4.9226 8.1236 118.2679 59.2260 41.6921 173.8479 100 E 4.7060 9.2058 128.7188 54.3210 32.4158 174.2393 101 L 4.9937 8.3444 126.2809 53.1721 43.8207 175.7287 102 S 4.4410 8.1591 117.2491 57.9801 66.0001 174.9502 *103 N 4.5503 8.6990 121.9166 52.6265 38.1010 173.5662 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 1 A 8.26 4.31 1.26 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 2 P 0.00 4.37 0.00 2.14 1.90 0.00 3.86 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 2.01 1.97 0.00 3 Q 8.68 4.59 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 4 N 7.46 4.87 0.00 2.95 2.92 0.00 0.00 5.82 7.84 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 5 I 8.22 3.79 1.85 0.00 0.00 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 1.60 1.56 0.94 0.00 0.00 6 T 7.88 3.87 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 1.20 0.00 0.00 7 E 8.55 4.00 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 2.33 2.51 0.00 8 L 7.98 4.11 0.00 1.88 1.81 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.62 4.40 0.00 3.16 3.08 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 10 S 7.50 4.00 0.00 4.20 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 11 E 8.09 4.04 0.00 1.54 1.59 0.00 0.00 0.00 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 2.34 0.00 12 Y 6.85 4.78 0.00 2.85 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 13 H 9.08 4.70 0.00 3.20 3.43 0.00 6.07 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 14 N 8.76 4.22 0.00 3.10 2.96 0.00 0.00 6.68 7.05 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 15 T 7.76 4.94 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 0.57 0.00 0.00 16 Q 8.66 4.65 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 17 I 8.30 4.47 1.87 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 1.21 0.80 0.90 0.00 0.00 18 Y 9.29 4.75 0.00 2.80 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 19 E 8.92 4.63 0.00 1.97 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 2.17 2.19 0.00 20 L 8.07 4.25 0.00 1.10 0.43 -0.42 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.72 4.16 0.00 2.76 2.83 0.00 0.00 6.67 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 22 K 7.84 4.73 0.00 1.70 1.74 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.23 7.81 23 E 8.58 4.74 0.00 2.11 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 2.36 0.00 24 I 8.24 3.42 2.03 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 1.12 0.63 0.99 0.00 0.00 25 K 8.76 4.49 0.00 1.62 1.90 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.66 7.81 26 T 7.62 4.56 4.16 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 1.10 0.00 0.00 27 Y 8.06 4.77 0.00 2.37 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 0.00 0.00 0.00 0.00 28 T 8.60 4.62 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 1.09 0.00 0.00 29 E 8.46 5.17 0.00 1.93 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 2.24 2.30 0.00 30 S 8.89 4.74 0.00 3.81 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 31 L 8.58 4.45 0.00 1.53 1.63 0.91 0.76 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 32 A 8.52 4.70 1.19 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 0.00 0.00 0.00 33 G 8.12 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.60 4.51 0.00 3.17 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 35 R 7.27 4.76 0.00 1.98 2.02 0.00 2.83 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 36 E 8.46 4.65 0.00 1.90 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 0.00 2.40 2.32 0.00 37 M 8.90 4.26 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 38 V 8.37 4.69 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 0.91 0.00 0.00 0.95 0.00 0.00 39 I 8.77 5.18 1.74 0.00 0.00 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 1.24 0.43 0.85 0.00 0.00 40 I 8.93 5.09 1.74 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 1.01 0.00 0.00 41 S 8.82 5.21 0.00 3.95 3.90 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 0.00 0.00 0.00 42 F 8.86 5.06 0.00 3.38 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 43 A 9.03 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.32 4.59 0.00 2.92 3.03 0.00 0.00 6.22 7.00 0.00 0.00 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 G 8.47 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 46 A 8.31 4.14 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 0.00 0.00 0.00 0.00 0.00 47 T 7.86 5.10 4.06 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 1.18 0.00 0.00 48 F 9.28 5.28 0.00 3.11 3.10 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 0.00 0.00 0.00 49 Q 9.21 5.18 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 50 V 7.96 4.33 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 0.83 0.00 0.00 1.02 0.00 0.00 51 E 8.40 4.67 0.00 1.87 1.77 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 2.11 2.20 0.00 52 V 8.44 3.46 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 0.79 0.00 0.00 0.87 0.00 0.00 53 P 0.00 4.36 0.00 1.73 1.60 0.00 3.07 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.44 0.00 *65 L 7.88 4.43 0.00 1.81 1.78 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.12 4.03 0.00 2.26 2.23 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 2.39 2.39 0.00 67 R 7.95 3.87 0.00 1.92 2.00 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 68 M 8.03 4.04 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.75 0.00 69 K 8.20 4.01 0.00 2.07 1.96 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.67 7.81 70 D 8.21 4.38 0.00 2.95 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 71 T 8.07 3.92 4.43 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 1.24 0.00 0.00 72 L 8.34 4.10 0.00 1.99 1.90 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.40 3.48 0.00 1.77 2.01 0.00 2.98 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.21 0.00 74 A 8.18 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 3.97 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 76 Y 8.04 3.92 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 3.75 0.00 3.08 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 78 T 7.92 4.33 4.23 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 1.27 0.00 0.00 79 G 7.84 3.78 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 0.00 0.00 0.00 80 I 7.62 3.90 1.88 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 1.42 0.45 0.93 0.00 0.00 81 K 8.47 4.29 0.00 1.71 1.72 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.45 7.81 82 V 8.75 4.11 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 0.86 0.00 0.00 1.13 0.00 0.00 83 S 9.13 4.10 0.00 4.06 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 84 K 7.74 5.03 0.00 1.61 1.52 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.36 7.81 85 L 8.48 5.04 0.00 1.30 1.24 0.26 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.77 5.11 0.00 2.87 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 87 V 8.36 4.90 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 0.54 0.00 0.00 1.06 0.00 0.00 88 W 9.37 4.99 0.00 3.45 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 89 N 9.11 5.15 0.00 2.76 2.96 0.00 0.00 6.22 8.04 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 90 N 8.25 4.87 0.00 2.85 2.99 0.00 0.00 5.94 7.13 0.00 0.00 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 K 7.82 4.58 0.00 2.04 1.95 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.34 7.81 92 T 8.25 4.56 4.23 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 1.20 0.00 0.00 93 P 0.00 4.50 0.00 2.12 1.93 0.00 3.81 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 1.97 1.95 0.00 94 N 8.58 4.97 0.00 3.04 3.15 0.00 0.00 7.18 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 95 S 8.76 5.31 0.00 4.07 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 0.00 96 I 8.34 4.60 1.95 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 1.09 0.86 0.89 0.00 0.00 97 A 8.73 3.93 -0.43 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 0.00 0.00 98 A 7.15 4.55 1.14 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 0.00 0.00 99 I 8.12 4.92 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.11 0.91 0.00 0.00 100 E 9.21 4.71 0.00 1.99 1.68 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 2.15 2.22 0.00 101 L 8.34 4.99 0.00 1.54 1.56 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.16 4.44 0.00 3.80 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 *103 N 8.70 4.55 0.00 2.53 2.62 0.00 0.00 6.59 7.56 0.00 0.00 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.