NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3512 8.2393 119.7120 55.0123 31.7520 174.8653 4 P 4.2608 0.0000 0.0000 62.6804 32.4870 173.6354 5 G 4.2787 8.8793 110.5472 45.2841 0.0000 174.8002 6 A 4.2522 8.6607 126.4135 51.7948 19.5921 177.1331 7 I 4.2641 8.5732 121.4504 58.7889 39.3414 173.2543 8 P 3.9379 0.0000 0.0000 61.9580 32.3474 175.5969 9 T 4.3545 8.3869 121.0157 61.3519 71.3229 173.3861 10 V 4.0203 8.2704 127.2450 63.0153 31.5791 175.4006 11 Q 4.4325 9.2471 127.3154 57.2959 30.3610 176.4945 12 I 4.5839 7.4402 118.3394 59.8564 41.7520 174.7734 13 D 5.0282 8.7229 125.4618 52.5269 41.7426 173.6327 14 N 5.3324 8.7063 123.4157 50.4593 39.9847 175.5319 15 E 3.9356 8.8289 114.4363 58.9221 30.3040 177.3155 16 R 4.5360 7.9265 118.3936 57.4699 32.6355 176.5465 17 V 5.0273 8.8118 110.3975 59.7906 37.1136 174.0409 18 K 4.9975 8.9573 123.1720 54.7909 35.1545 174.7938 19 V 4.9584 9.0475 128.1969 61.5085 33.9421 174.2873 20 T 4.9232 8.9347 124.6425 61.5614 72.0348 172.7384 21 E 4.5850 9.0685 128.2990 55.5441 31.2614 175.0185 22 W 4.7339 9.1095 127.6004 54.9399 31.6159 174.7918 23 R 4.8300 8.6696 126.6150 54.7053 31.7782 174.5788 24 F 5.0341 9.8889 126.9574 55.3852 40.7846 174.4294 25 P 4.8171 0.0000 0.0000 61.3049 32.9302 174.1731 26 P 4.4441 0.0000 0.0000 64.5597 31.4718 177.3563 27 G 3.9382 8.9031 110.5731 45.5621 0.0000 173.9611 28 G 4.1517 8.2286 107.8207 45.9813 0.0000 172.8408 29 E 5.6239 9.0258 118.6566 54.4846 32.8021 176.7782 30 T 3.8190 9.0474 111.9168 62.6273 69.5206 175.8689 31 G 4.2247 8.2785 107.0419 44.7173 0.0000 173.1148 32 W 4.6253 8.6463 120.2621 57.2932 29.7818 175.1656 33 H 5.0436 9.3031 118.4910 54.6469 32.0943 171.9659 34 R 5.1126 8.4149 118.9838 54.7150 32.5981 174.5559 35 H 4.4015 9.3087 124.6657 55.3812 29.7196 175.5063 36 S 4.6593 8.5966 118.3675 58.9315 63.8423 173.5908 *38 D 4.9363 8.0483 119.4797 55.3031 42.3984 173.9823 39 Y 5.4017 8.8045 118.9313 55.8172 42.2119 173.6103 40 V 4.5946 9.0756 120.5825 61.0812 34.9273 174.2262 41 V 4.6221 8.2738 127.5401 61.1049 33.7058 174.3630 42 V 4.1135 8.8000 129.0805 60.7441 32.8934 173.5902 43 P 4.8726 0.0000 0.0000 62.4591 33.2651 175.2794 *45 T 4.1565 8.2019 115.5411 64.1310 69.4242 173.9993 46 T 4.6040 8.6509 121.6499 61.3753 69.9924 174.7891 47 G 4.3655 8.2307 113.7514 45.4630 0.0000 169.3351 48 P 5.0630 0.0000 0.0000 62.3894 32.4866 175.7597 49 L 4.4151 8.7899 121.7515 52.7261 45.4453 174.9966 50 L 4.8248 8.3750 124.5347 53.5588 43.9612 174.9216 51 L 4.9297 8.9524 127.0238 52.9321 44.2398 175.3963 52 E 4.6565 8.8303 125.2677 55.7535 30.8134 175.9479 53 T 5.1757 8.5740 113.5795 59.0725 72.4209 173.3686 54 P 4.3249 0.0000 0.0000 65.2385 31.4140 177.2965 55 E 4.3512 7.7788 116.3642 55.9301 30.0171 175.3662 56 G 3.8292 8.0696 106.1191 43.8900 0.0000 172.5645 57 S 4.8866 8.3382 114.7705 58.2950 63.8905 174.3501 58 V 4.3712 8.8664 124.0347 61.4377 34.5609 173.9995 59 T 4.8875 8.5364 124.3259 62.2342 70.1248 174.2101 60 S 4.6710 8.9891 122.2969 56.5559 66.7118 172.9251 61 Q 4.5721 8.5819 125.1997 55.3718 29.6649 174.6814 62 L 4.8720 8.8637 126.9375 53.5881 44.7414 175.6750 63 T 4.9683 8.2509 117.7276 61.2957 72.0624 173.5579 64 R 4.1607 8.6088 126.8470 58.3172 30.3391 176.7718 65 G 3.8311 9.1425 113.4282 45.4231 0.0000 173.3553 66 V 4.1628 7.5980 119.9395 60.9082 31.4006 175.2621 67 S 5.2428 8.5920 121.9411 57.8236 64.5076 172.5361 68 Y 4.9386 7.7038 117.5637 56.3617 41.4459 173.0063 69 T 4.9210 8.4794 113.4039 60.4189 70.6654 172.8333 70 R 4.7292 8.1061 124.5479 53.7158 34.8334 172.8536 71 P 5.1115 0.0000 0.0000 61.3580 33.6978 174.8002 72 E 3.9268 9.2399 121.9547 58.5008 29.8014 177.4832 73 G 4.0671 9.2269 113.9831 44.9067 0.0000 174.1017 74 V 3.7152 7.6531 120.9816 63.4771 32.4984 174.3486 75 E 5.2688 8.4266 128.2730 54.8941 32.1724 174.0974 76 H 4.2775 8.7628 120.6099 55.1120 32.7268 171.9165 77 N 4.9172 7.2085 117.5202 51.4873 41.3593 172.9505 78 V 4.5897 8.2932 125.9079 61.2078 33.9063 174.3784 79 I 5.0552 8.6569 128.1129 59.5079 41.4126 174.2993 80 N 4.5604 9.1260 125.8112 51.5418 39.3598 172.5060 81 P 4.5469 0.0000 0.0000 63.0442 32.2424 175.6342 82 S 4.8413 7.9021 116.6328 57.1951 65.4729 173.6211 83 D 4.7709 8.6052 118.0705 53.5024 39.3731 175.6065 84 T 4.8251 7.3898 108.7804 59.6022 72.1840 173.0520 85 E 4.5339 8.8210 122.7405 56.4557 30.6438 175.5229 86 F 4.8428 9.3040 126.9104 56.4029 42.8621 173.6622 87 V 5.3315 8.0379 125.1281 61.2558 34.4125 174.3765 88 F 5.3228 9.0739 120.9612 55.5243 42.1187 173.0451 89 V 4.9171 9.1130 120.2121 61.3208 33.7604 173.8583 90 E 5.2998 9.6850 129.0878 54.6539 32.3238 174.4265 91 I 4.7953 9.2390 128.6745 59.8423 39.1791 174.3916 92 E 4.9123 9.3246 128.5355 55.5802 31.0227 175.9086 93 I 4.5340 8.6270 126.3723 60.1767 38.2193 176.1739 94 K 4.2712 8.7445 126.2951 56.5898 31.6402 177.0065 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 R 8.24 4.35 0.00 1.85 2.12 0.00 3.44 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 4 P 0.00 4.26 0.00 2.23 2.21 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 5 G 8.88 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 0.00 0.00 0.00 0.00 6 A 8.66 4.25 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.57 4.26 1.75 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 0.59 0.77 0.00 0.00 8 P 0.00 3.94 0.00 1.18 0.49 0.00 3.41 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 1.55 1.44 0.00 9 T 8.39 4.35 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 1.11 0.00 0.00 10 V 8.27 4.02 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 0.80 0.00 0.00 0.81 0.00 0.00 11 Q 9.25 4.43 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 12 I 7.44 4.58 1.88 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 1.23 0.61 0.91 0.00 0.00 13 D 8.72 5.03 0.00 2.54 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 14 N 8.71 5.33 0.00 2.96 2.93 0.00 0.00 6.69 6.95 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 15 E 8.83 3.94 0.00 2.36 2.13 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 2.27 1.90 0.00 16 R 7.93 4.54 0.00 1.74 2.00 0.00 3.28 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 17 V 8.81 5.03 2.12 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 0.77 0.00 0.00 0.95 0.00 0.00 18 K 8.96 5.00 0.00 1.92 1.65 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.34 7.81 19 V 9.05 4.96 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 0.81 0.00 0.00 0.96 0.00 0.00 20 T 8.93 4.92 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 0.48 0.00 0.00 21 E 9.07 4.58 0.00 1.96 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 2.22 2.27 0.00 22 W 9.11 4.73 0.00 2.37 2.59 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 0.00 0.00 0.00 23 R 8.67 4.83 0.00 1.83 1.72 0.00 3.05 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 24 F 9.89 5.03 0.00 3.28 3.09 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 25 P 0.00 4.82 0.00 2.13 2.02 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 26 P 0.00 4.44 0.00 2.08 2.10 0.00 3.81 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 2.07 2.16 0.00 27 G 8.90 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 0.00 0.00 0.00 28 G 8.23 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 0.00 0.00 0.00 29 E 9.03 5.62 0.00 2.19 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 2.36 2.25 0.00 30 T 9.05 3.82 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 0.71 0.00 0.00 31 G 8.28 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 32 W 8.65 4.63 0.00 3.21 3.17 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 33 H 9.30 5.04 0.00 3.18 3.40 0.00 5.20 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.41 5.11 0.00 1.86 1.86 0.00 3.27 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 35 H 9.31 4.40 0.00 3.28 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.60 4.66 0.00 3.91 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 *38 D 8.05 4.94 0.00 2.71 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 39 Y 8.80 5.40 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.08 4.59 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 0.93 0.00 0.00 0.91 0.00 0.00 41 V 8.27 4.62 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 0.36 0.00 0.00 0.76 0.00 0.00 42 V 8.80 4.11 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 1.03 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.87 0.00 2.36 2.17 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.24 0.00 *45 T 8.20 4.16 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 0.97 0.00 0.00 46 T 8.65 4.60 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 47 G 8.23 4.37 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 0.00 48 P 0.00 5.06 0.00 1.99 2.00 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 49 L 8.79 4.42 0.00 1.21 1.20 0.60 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.37 4.82 0.00 1.64 1.53 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.95 4.93 0.00 1.49 1.40 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.83 4.66 0.00 1.23 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 2.11 2.29 0.00 53 T 8.57 5.18 4.30 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 1.20 0.00 0.00 54 P 0.00 4.32 0.00 2.13 2.21 0.00 3.78 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 55 E 7.78 4.35 0.00 1.91 1.98 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 2.30 2.31 0.00 56 G 8.07 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 0.00 0.00 0.00 57 S 8.34 4.89 0.00 3.76 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 58 V 8.87 4.37 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 0.91 0.00 0.00 0.96 0.00 0.00 59 T 8.54 4.89 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 1.13 0.00 0.00 60 S 8.99 4.67 0.00 3.53 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.58 4.57 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 62 L 8.86 4.87 0.00 2.10 1.82 0.85 0.72 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 63 T 8.25 4.97 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 1.23 0.00 0.00 64 R 8.61 4.16 0.00 1.75 1.87 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 65 G 9.14 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 0.00 0.00 0.00 66 V 7.60 4.16 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 0.89 0.00 0.00 1.01 0.00 0.00 67 S 8.59 5.24 0.00 3.95 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 68 Y 7.70 4.94 0.00 2.95 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 69 T 8.48 4.92 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 1.18 0.00 0.00 70 R 8.11 4.73 0.00 0.67 1.52 0.00 3.26 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 71 P 0.00 5.11 0.00 2.13 2.16 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 72 E 9.24 3.93 0.00 2.04 1.98 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 2.39 2.48 0.00 73 G 9.23 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 0.00 0.00 0.00 74 V 7.65 3.72 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 0.90 0.00 0.00 1.05 0.00 0.00 75 E 8.43 5.27 0.00 2.05 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 2.52 2.63 0.00 76 H 8.76 4.28 0.00 2.97 3.23 0.00 5.28 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.21 4.92 0.00 1.44 1.62 0.00 0.00 7.12 7.28 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 78 V 8.29 4.59 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 0.80 0.00 0.00 0.59 0.00 0.00 79 I 8.66 5.06 1.77 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 1.09 0.50 0.89 0.00 0.00 80 N 9.13 4.56 0.00 2.63 2.82 0.00 0.00 6.84 8.28 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 81 P 0.00 4.55 0.00 2.05 2.03 0.00 3.68 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 1.85 1.85 0.00 82 S 7.90 4.84 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 83 D 8.61 4.77 0.00 2.78 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 84 T 7.39 4.83 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 1.24 0.00 0.00 85 E 8.82 4.53 0.00 2.07 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 2.39 2.60 0.00 86 F 9.30 4.84 0.00 3.27 2.82 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 87 V 8.04 5.33 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 0.95 0.00 0.00 0.96 0.00 0.00 88 F 9.07 5.32 0.00 3.32 3.28 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 0.00 89 V 9.11 4.92 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 1.03 0.00 0.00 0.99 0.00 0.00 90 E 9.68 5.30 0.00 2.63 2.15 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 2.40 2.60 0.00 91 I 9.24 4.80 1.94 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 1.27 0.55 0.96 0.00 0.00 92 E 9.32 4.91 0.00 1.96 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 2.40 2.39 0.00 93 I 8.63 4.53 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 1.43 0.81 0.94 0.00 0.00 94 K 8.74 4.27 0.00 1.87 1.74 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.