NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.2342 8.3544 108.0594 46.7147 0.0000 172.2950 2 K 4.7846 9.1756 119.9258 53.4629 35.9829 169.7966 3 V 4.5670 8.6099 127.6874 59.7417 34.8435 174.3659 4 V 4.6014 8.4371 117.4808 59.3712 35.0254 174.6520 5 I 4.7420 8.2704 124.6988 59.7635 40.3936 174.3525 6 Y 4.7264 8.7609 126.2869 56.8164 38.1304 177.0139 7 S 4.1334 8.9677 121.9606 60.8939 63.6345 175.2972 8 E 4.6308 7.7409 116.3309 53.7737 28.6582 173.3808 9 P 4.0663 0.0000 0.0000 63.5282 31.9380 176.5217 *13 E 4.1985 8.3315 122.8124 55.6506 30.6717 175.6258 14 K 4.2633 8.3928 118.3217 57.5201 32.5903 175.9952 15 C 4.6758 7.9526 114.5067 57.3462 32.6278 173.0232 16 I 4.0237 8.4185 121.7214 60.2052 38.2185 174.8032 17 E 4.4078 8.6234 127.5071 54.9969 30.6569 175.7164 18 V 4.3125 8.3163 126.3267 61.3821 32.9410 176.0866 19 F 4.9138 9.1431 125.4876 57.3661 39.9903 174.4841 20 S 4.8063 7.9451 114.0927 57.2143 65.7859 173.7865 21 D 4.9355 8.9446 119.9085 55.0613 41.3958 176.7933 22 I 4.6273 9.2580 123.1432 59.6701 39.8511 176.5098 23 Q 3.1593 8.8569 127.1528 57.6827 28.9115 175.9753 24 D 4.4493 7.5818 116.9717 53.7976 42.4621 173.8280 25 C 3.5725 8.6080 124.4224 58.8243 28.5178 176.3877 26 S 4.1852 8.1738 116.5509 60.8026 62.4970 175.5369 27 S 4.4065 7.9018 113.8154 59.0157 63.4768 174.2119 28 W 4.2585 8.1578 122.8616 56.8610 28.9050 175.5131 29 S 4.7335 8.7571 119.0444 57.1510 62.8459 173.2722 30 L 4.7993 7.9518 129.2572 54.5638 40.6976 178.6021 31 S 4.7345 8.3033 124.3626 57.3832 66.4655 172.8293 32 P 4.4299 0.0000 0.0000 64.9117 31.2432 176.6132 33 V 4.9859 7.6369 117.2735 60.9818 33.8375 174.7912 34 I 4.8516 8.8908 121.0047 58.9832 41.6218 173.9497 35 L 4.9990 8.5224 125.0805 53.6397 44.1202 174.9953 36 I 4.5859 8.8519 128.5419 59.7944 39.0925 174.7739 37 K 4.7447 9.0673 129.8384 54.4410 34.3335 175.2878 38 V 3.8778 8.6676 129.8126 62.3930 31.5465 176.7296 39 V 3.8448 8.5417 130.0920 65.8075 32.0345 176.2900 40 R 4.5005 8.1977 113.8991 56.6187 32.3716 176.3168 41 G 4.0762 9.1867 107.8685 44.6058 0.0000 171.9877 42 C 5.2552 7.9892 113.9789 57.9918 32.5217 173.4570 43 W 5.6202 9.4858 120.9239 55.4598 34.2552 173.9405 44 I 5.0529 8.8451 121.0191 59.8143 40.7327 174.5137 45 L 4.9776 9.0130 127.5302 53.6549 43.5012 175.2211 46 Y 5.0047 9.0479 121.7254 56.0595 40.4061 176.6604 47 E 2.6280 8.3038 124.0826 57.9224 30.2610 176.7818 48 Q 4.5459 7.7222 116.8467 52.6859 32.2044 173.1725 49 P 4.3910 0.0000 0.0000 63.5204 31.7958 175.5973 50 N 3.4196 8.8518 115.1645 54.2858 36.7349 174.7699 51 F 2.4501 6.8446 111.7769 58.6711 36.9393 174.1198 52 E 4.5322 7.2042 117.3515 55.2270 33.6354 177.3277 53 G 4.0103 8.4719 107.3736 44.8358 0.0000 172.9328 54 H 4.6122 8.4486 115.4039 56.2682 29.8733 175.0063 55 S 5.1047 8.5461 113.6259 56.9433 66.5840 173.5910 56 I 4.6439 8.8766 121.8656 58.8678 39.9952 173.1340 57 P 4.9113 0.0000 0.0000 62.6084 32.4757 175.8402 58 L 4.9217 9.3770 121.4977 53.3507 46.2528 175.2536 59 E 5.0409 8.6339 120.7889 53.6399 33.6795 174.7809 60 E 3.9630 8.8833 120.4552 56.6730 29.9628 177.2106 61 G 4.2444 7.6673 112.8567 43.8687 0.0000 170.9196 62 E 5.1938 8.1300 119.1018 54.4006 32.3464 176.0446 63 L 4.5699 8.8962 125.0844 53.3905 45.6288 174.7989 64 E 4.7210 8.9315 128.1756 55.4309 29.7793 175.0490 65 L 4.5320 8.7991 130.8449 54.4416 43.9309 175.5332 66 S 4.8163 7.9088 118.1679 59.6595 65.7337 174.6172 67 G 4.1175 8.8315 107.3554 44.2993 0.0000 172.2347 68 L 4.7669 7.7544 116.9902 52.1128 44.3161 176.8211 69 W 4.1765 8.5464 121.3872 58.0666 29.8770 178.0636 70 G 3.9480 8.9306 108.2430 44.7845 0.0000 172.0289 71 I 4.6965 8.2345 119.0804 59.6180 39.7428 175.5638 72 E 4.5860 8.9137 126.0763 54.1481 29.4983 176.5896 73 D 4.3839 7.8357 123.3607 56.8809 41.5989 179.6455 74 I 3.7103 7.8246 118.1887 63.6247 37.1395 176.7741 75 L 4.7494 7.9094 117.3052 54.2601 42.5734 177.2605 76 E 4.0846 7.9725 120.3205 59.2220 29.5605 178.1105 77 R 3.9876 7.5439 115.9571 57.4513 30.3271 174.4035 78 H 4.4888 9.5391 119.9414 55.4847 27.0319 175.8447 79 E 4.6173 7.2696 115.0037 54.9171 32.5617 173.8819 80 E 3.9289 8.5029 119.8538 55.6288 30.3548 175.7155 81 A 4.1755 8.4781 129.3889 51.4484 18.4936 176.8655 82 E 4.4356 8.5101 122.2132 56.9630 30.3000 176.2758 83 S 4.7319 7.9540 113.4567 56.6689 65.6840 173.7768 84 D 4.5101 8.5886 123.3254 56.3175 41.0167 177.2670 85 K 4.2549 7.7696 119.4210 54.9545 32.6981 175.0736 86 P 4.5055 0.0000 0.0000 62.7905 32.0683 176.3462 87 V 3.7298 8.6471 123.8619 63.2765 32.0873 175.2862 88 V 4.5503 8.6046 127.2780 61.2141 33.5440 174.3361 89 I 4.6293 8.4775 128.4072 59.7904 38.8615 175.9041 90 G 3.7361 9.2716 115.5823 49.0238 0.0000 173.5175 91 S 4.8343 7.5344 112.3629 57.1958 66.2728 174.0821 92 I 5.2670 8.8379 121.8768 59.7991 40.5266 174.3148 93 R 4.8453 9.4763 128.2968 55.0699 32.0042 174.5313 94 H 3.5947 10.0266 128.5249 54.4282 30.0820 174.9945 95 V 3.3745 7.5887 127.5149 63.0025 31.6106 176.2556 96 V 3.4916 8.0313 126.9761 63.3156 32.2868 171.7243 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 G 8.35 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 0.00 0.00 0.00 0.00 2 K 9.18 4.78 0.00 1.66 1.55 0.00 1.01 0.00 0.00 1.23 0.00 0.00 2.88 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.99 0.64 7.81 3 V 8.61 4.57 0.67 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 -0.68 0.00 0.00 0.57 0.00 0.00 4 V 8.44 4.60 1.62 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 0.45 0.00 0.00 0.72 0.00 0.00 5 I 8.27 4.74 1.80 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 1.18 0.70 0.94 0.00 0.00 6 Y 8.76 4.73 0.00 2.98 2.89 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 0.00 0.00 0.00 7 S 8.97 4.13 0.00 3.87 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 8 E 7.74 4.63 0.00 2.04 1.96 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 0.00 2.19 2.27 0.00 9 P 0.00 4.07 0.00 2.16 2.15 0.00 3.95 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 *13 E 8.33 4.20 0.00 2.04 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 0.00 2.22 2.33 0.00 14 K 8.39 4.26 0.00 1.76 1.72 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 15 C 7.95 4.68 0.00 2.30 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 0.00 0.00 0.00 16 I 8.42 4.02 1.62 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.49 0.35 0.00 0.00 17 E 8.62 4.41 0.00 1.92 1.82 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 2.09 2.18 0.00 18 V 8.32 4.31 1.71 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 1.13 0.00 0.00 1.01 0.00 0.00 19 F 9.14 4.91 0.00 3.11 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 20 S 7.95 4.81 0.00 3.99 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 21 D 8.94 4.94 0.00 2.75 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 22 I 9.26 4.63 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.42 0.92 0.00 0.00 23 Q 8.86 3.16 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 24 D 7.58 4.45 0.00 2.43 2.44 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 25 C 8.61 3.57 0.00 2.49 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 26 S 8.17 4.19 0.00 3.91 3.89 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 0.00 0.00 0.00 27 S 7.90 4.41 0.00 4.09 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 28 W 8.16 4.26 0.00 3.36 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 29 S 8.76 4.73 0.00 3.88 3.83 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 0.00 0.00 0.00 30 L 7.95 4.80 0.00 1.88 1.01 1.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.30 4.73 0.00 3.95 3.72 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 32 P 0.00 4.43 0.00 2.17 2.39 0.00 3.54 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 33 V 7.64 4.99 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 0.85 0.00 0.00 0.92 0.00 0.00 34 I 8.89 4.85 2.01 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 1.13 1.06 0.00 0.00 35 L 8.52 5.00 0.00 1.84 1.73 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.85 4.59 1.86 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 1.11 0.89 0.85 0.00 0.00 37 K 9.07 4.74 0.00 1.88 1.71 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.38 7.81 38 V 8.67 3.88 2.26 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 1.09 0.00 0.00 0.94 0.00 0.00 39 V 8.54 3.84 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 0.83 0.00 0.00 0.88 0.00 0.00 40 R 8.20 4.50 0.00 1.95 2.02 0.00 3.10 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 41 G 9.19 4.08 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 0.00 0.00 0.00 42 C 7.99 5.26 0.00 2.73 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 43 W 9.49 5.62 0.00 3.21 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 44 I 8.85 5.05 1.90 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 1.19 0.85 0.25 0.00 0.00 45 L 9.01 4.98 0.00 1.79 1.82 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 9.05 5.00 0.00 3.05 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 47 E 8.30 2.63 0.00 1.16 1.36 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 1.80 1.47 0.00 48 Q 7.72 4.55 0.00 2.09 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.66 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 49 P 0.00 4.39 0.00 1.87 1.79 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 50 N 8.85 3.42 0.00 2.60 2.71 0.00 0.00 7.04 5.47 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 51 F 6.84 2.45 0.00 2.73 1.87 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 52 E 7.20 4.53 0.00 1.85 1.72 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 2.24 2.24 0.00 53 G 8.47 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 0.00 0.00 0.00 54 H 8.45 4.61 0.00 3.08 3.51 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.55 5.10 0.00 3.33 3.48 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 0.00 56 I 8.88 4.64 1.96 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 0.91 0.00 0.00 57 P 0.00 4.91 0.00 2.08 2.03 0.00 3.72 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 1.99 2.00 0.00 58 L 9.38 4.92 0.00 1.75 1.61 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.63 5.04 0.00 1.83 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 2.22 2.29 0.00 60 E 8.88 3.96 0.00 2.03 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 2.33 2.53 0.00 61 G 7.67 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 0.00 0.00 0.00 0.00 62 E 8.13 5.19 0.00 1.83 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 2.24 2.28 0.00 63 L 8.90 4.57 0.00 1.68 1.44 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.93 4.72 0.00 2.00 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 2.25 2.29 0.00 65 L 8.80 4.53 0.00 1.70 1.43 0.79 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.91 4.82 0.00 3.87 3.76 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 67 G 8.83 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 68 L 7.75 4.77 0.00 1.63 1.61 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.55 4.18 0.00 3.21 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 70 G 8.93 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 71 I 8.23 4.70 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.97 0.00 0.00 72 E 8.91 4.59 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 2.19 2.24 0.00 73 D 7.84 4.38 0.00 2.80 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 74 I 7.82 3.71 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 1.42 0.47 0.91 0.00 0.00 75 L 7.91 4.75 0.00 1.58 1.64 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.97 4.08 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 77 R 7.54 3.99 0.00 1.62 1.66 0.00 3.22 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 78 H 9.54 4.49 0.00 3.34 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.27 4.62 0.00 2.01 1.91 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 2.19 2.29 0.00 80 E 8.50 3.93 0.00 1.89 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 2.31 2.30 0.00 81 A 8.48 4.18 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.51 4.44 0.00 1.96 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 2.29 2.27 0.00 83 S 7.95 4.73 0.00 3.75 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 84 D 8.59 4.51 0.00 2.72 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 85 K 7.77 4.25 0.00 1.79 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.42 7.81 86 P 0.00 4.51 0.00 1.98 2.15 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 87 V 8.65 3.73 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 0.69 0.00 0.00 0.91 0.00 0.00 88 V 8.60 4.55 2.24 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 0.92 0.00 0.00 1.05 0.00 0.00 89 I 8.48 4.63 1.81 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 0.96 0.00 0.00 90 G 9.27 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 91 S 7.53 4.83 0.00 3.50 3.61 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 0.00 0.00 0.00 0.00 92 I 8.84 5.27 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 1.25 0.00 0.00 93 R 9.48 4.85 0.00 1.97 1.92 0.00 2.31 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.35 0.00 94 H 10.03 3.59 0.00 2.78 3.16 0.00 6.00 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.59 3.37 1.91 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 0.64 0.00 0.00 0.85 0.00 0.00 96 V 8.03 3.49 1.93 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 0.68 0.00 0.00 0.83 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.