NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2897 8.2993 119.9963 56.7238 33.7045 175.0156 8 L 4.1435 8.3054 118.5981 55.0956 41.4545 174.2009 9 N 4.9638 8.9707 118.3452 51.5896 43.0168 175.6889 10 Q 4.1053 7.8029 122.8413 56.7329 29.3251 176.4472 11 N 4.4165 8.7766 115.2369 53.3880 37.0978 174.2509 12 Q 3.6132 8.0097 111.5593 57.0401 26.8015 173.1244 13 D 4.9186 7.5583 115.7981 54.2542 41.5349 178.2163 14 I 3.9529 7.9109 119.7816 63.0932 37.0323 177.3451 15 S 4.3414 8.0883 115.2195 61.2748 62.5405 176.3557 16 Q 4.0414 8.4169 121.7450 58.9133 28.5601 178.2563 17 L 3.8814 7.5044 118.6241 56.3056 42.7683 177.4406 18 F 4.8670 7.3610 115.5472 56.4864 39.3013 174.5099 19 H 4.3010 8.2167 122.7237 58.4292 30.6182 174.5096 20 D 5.0994 7.6459 115.8861 51.8247 43.8310 175.3705 21 E 4.2314 8.5260 120.2131 56.5805 30.1087 176.7830 22 V 4.3666 7.8970 119.2130 60.3234 34.1232 173.6615 23 P 4.5535 0.0000 0.0000 61.9374 32.4927 176.2925 24 L 3.8436 8.3697 119.5495 57.5128 42.0100 176.6214 25 F 5.3394 7.5707 114.5990 56.1607 42.5879 175.4145 26 D 4.7440 8.5500 119.8642 53.5707 39.4829 176.2971 27 N 3.8051 8.2040 113.6525 55.6123 38.3645 176.2709 28 S 4.1784 9.2280 112.0148 60.0724 62.6855 173.7704 29 I 4.5455 7.7652 120.7599 59.1906 37.8767 176.2564 30 T 4.2399 8.4637 116.5746 60.6266 71.3869 175.3829 31 S 3.9349 8.3684 114.2878 61.5410 62.4071 175.8567 32 K 3.9611 7.9382 121.7099 59.3520 31.8439 178.2349 33 D 4.3480 8.0924 119.4287 57.2945 40.7360 178.9874 34 K 3.7508 7.8085 118.7442 59.5089 32.0764 178.9763 35 E 3.9752 7.9445 118.6167 59.6812 29.3017 179.9439 36 V 3.5761 7.6752 117.4023 65.9730 31.6779 177.9931 37 I 3.7186 7.5602 119.4714 64.5161 36.9535 178.1868 38 E 3.9242 8.5991 119.4636 59.8407 29.3869 179.3038 39 T 3.6970 7.7234 115.5148 66.9758 68.6791 176.6107 40 L 4.1001 8.3827 121.1045 57.5057 41.4496 179.6201 41 S 4.1772 7.9979 114.4548 60.9267 63.0289 176.2421 42 E 3.7475 8.0019 123.2054 59.0707 29.4571 178.6143 43 I 3.3961 7.5366 119.8382 64.4343 37.2132 177.8208 44 Y 4.0084 7.8950 120.2444 60.5337 38.6356 178.0553 45 S 4.0758 7.8518 115.2784 61.2216 63.1328 176.5099 46 I 3.7198 7.6205 123.5064 63.7950 36.6537 178.4878 47 V 3.4484 7.1928 119.0701 65.7838 31.3584 178.2701 48 I 3.5617 7.2199 119.2233 64.5455 36.8605 178.4735 49 T 3.8057 7.7768 116.5096 66.7791 68.3377 176.7554 50 L 4.0488 8.0884 120.6733 57.7244 41.2129 179.3201 51 D 4.4479 7.8685 119.0325 57.3985 40.7378 178.3713 52 H 4.2453 8.2380 116.8348 58.4492 28.7905 177.8876 53 V 3.6740 8.2327 120.6087 66.1347 31.4315 177.8084 54 E 4.2159 8.2354 118.4878 58.9804 28.3252 178.4510 55 K 4.0846 7.8793 119.0495 58.6014 32.2305 178.7015 56 A 4.1660 7.9882 121.5517 54.9083 18.4303 178.8710 57 Y 3.8749 8.1643 118.4390 60.9789 38.8766 177.8722 58 L 4.0457 7.9263 115.0803 55.5623 41.3047 177.2366 59 K 4.3730 6.9892 115.5255 55.0838 32.6673 174.9298 60 D 4.2524 8.0276 114.2927 55.0476 40.0229 174.6276 61 S 4.4351 8.3949 113.4501 59.2361 63.2665 174.1945 62 I 4.7954 7.2594 112.1766 58.3793 40.4599 174.3736 63 D 4.8920 8.7697 121.9629 52.0626 42.4615 177.0214 64 D 4.6971 8.8125 119.1941 58.9593 40.6367 178.4310 65 T 3.9387 8.3265 115.1788 65.8410 68.1978 175.8244 66 Q 4.0046 8.5638 119.3206 60.3643 29.2479 178.6090 67 Y 4.1852 8.6686 120.2144 61.1967 38.5452 178.0489 68 T 3.5850 8.6911 116.1096 67.4013 68.7980 175.7779 69 N 4.3357 8.4374 118.3025 56.0013 38.4803 177.1187 70 T 3.8501 8.3429 116.6814 67.0503 68.7749 176.8102 71 V 3.3958 7.8268 119.8660 65.9738 31.3467 177.2305 72 D 4.2422 7.8977 116.7371 57.6891 41.1708 177.9052 73 K 3.9506 8.3858 120.1696 59.3276 32.0964 178.2777 74 L 3.9726 8.0701 118.8665 58.1685 41.5685 179.5762 75 L 4.0500 8.4891 119.0178 57.8814 42.2446 178.9733 76 K 4.1345 8.3028 118.8492 59.3540 32.3645 179.1425 77 Q 3.8307 8.0423 117.7675 58.8829 28.5514 178.6827 78 F 4.5836 8.6874 122.1056 61.2809 39.2102 177.0641 79 K 3.7989 7.7141 118.1060 59.4027 32.2456 178.5805 80 V 3.6314 7.6297 117.9640 66.4010 31.1814 177.4042 81 Y 4.7368 7.6475 116.1120 61.1211 37.3437 178.5717 82 L 4.0162 8.3572 120.9612 57.4214 42.0597 178.2520 83 N 4.6163 8.6075 116.6940 55.5352 38.6901 177.1877 84 S 4.6300 7.4528 111.6559 59.4146 62.4611 174.4590 85 Q 4.5340 8.4002 124.8259 56.8281 31.3774 177.5227 86 N 4.4547 7.6701 112.3694 56.1756 38.8141 177.6431 87 K 4.3648 7.8036 115.0780 56.7046 32.2924 177.7283 88 E 4.7520 7.8590 116.9249 56.4410 33.8223 175.5228 89 E 4.5696 7.4482 114.5704 56.5843 34.9856 174.5530 *109 S 4.2818 8.5724 117.5734 59.4529 64.2577 172.1703 110 N 5.1218 8.0204 117.4191 50.2824 41.5437 174.5201 111 A 3.9352 8.6192 121.5798 55.7889 18.1578 179.3866 112 I 3.5875 7.7968 109.8946 64.8436 37.2327 177.7804 113 T 3.9572 7.9305 114.7150 64.3381 67.2897 175.6625 114 R 4.0272 7.9224 120.5215 59.4722 30.0810 178.3082 115 L 4.1595 8.2974 117.7470 57.8921 41.7181 178.8946 116 E 4.1085 8.3227 116.3205 56.4732 29.6000 177.0559 117 R 4.2561 8.2899 123.6551 56.7058 30.8682 175.8488 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 7 K 8.30 4.29 0.00 1.88 1.92 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.44 7.81 8 L 8.31 4.14 0.00 1.87 1.72 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.97 4.96 0.00 2.63 2.65 0.00 0.00 7.05 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 10 Q 7.80 4.11 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.66 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 11 N 8.78 4.42 0.00 2.88 3.02 0.00 0.00 7.06 6.71 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 12 Q 8.01 3.61 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.33 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 13 D 7.56 4.92 0.00 2.78 2.61 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 14 I 7.91 3.95 1.96 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 1.73 1.19 1.07 0.00 0.00 15 S 8.09 4.34 0.00 4.09 4.17 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 16 Q 8.42 4.04 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 17 L 7.50 3.88 0.00 1.35 0.93 0.87 0.89 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 18 F 7.36 4.87 0.00 2.99 2.99 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 19 H 8.22 4.30 0.00 3.36 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.65 5.10 0.00 2.69 2.56 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 21 E 8.53 4.23 0.00 1.97 1.90 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 2.33 2.31 0.00 22 V 7.90 4.37 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 0.87 0.00 0.00 0.98 0.00 0.00 23 P 0.00 4.55 0.00 2.35 2.07 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 24 L 8.37 3.84 0.00 1.33 1.27 0.62 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.57 5.34 0.00 3.08 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 26 D 8.55 4.74 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 3.81 0.00 2.88 2.96 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 28 S 9.23 4.18 0.00 3.67 4.13 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 29 I 7.77 4.55 1.86 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 1.27 1.52 0.62 0.00 0.00 30 T 8.46 4.24 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 1.21 0.00 0.00 31 S 8.37 3.93 0.00 3.86 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 32 K 7.94 3.96 0.00 1.84 1.76 0.00 1.92 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.52 7.81 33 D 8.09 4.35 0.00 2.96 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 34 K 7.81 3.75 0.00 1.75 1.56 0.00 1.36 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 1.16 7.81 35 E 7.94 3.98 0.00 2.22 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 0.00 2.33 2.42 0.00 36 V 7.68 3.58 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 1.10 0.00 0.00 0.97 0.00 0.00 37 I 7.56 3.72 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.79 1.08 0.00 0.00 38 E 8.60 3.92 0.00 2.05 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 2.60 2.51 0.00 39 T 7.72 3.70 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 40 L 8.38 4.10 0.00 1.79 1.71 0.95 0.56 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 41 S 8.00 4.18 0.00 4.02 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 42 E 8.00 3.75 0.00 1.67 1.12 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 1.47 2.03 0.00 43 I 7.54 3.40 1.86 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 1.57 1.16 0.81 0.00 0.00 44 Y 7.89 4.01 0.00 3.12 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 45 S 7.85 4.08 0.00 4.01 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 46 I 7.62 3.72 1.54 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 0.77 0.00 0.00 47 V 7.19 3.45 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 0.94 0.00 0.00 0.83 0.00 0.00 48 I 7.22 3.56 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.42 0.77 0.00 0.00 49 T 7.78 3.81 4.21 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 1.20 0.00 0.00 50 L 8.09 4.05 0.00 1.83 1.74 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.87 4.45 0.00 2.96 2.71 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 52 H 8.24 4.25 0.00 3.37 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.23 3.67 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 1.12 0.00 0.00 0.99 0.00 0.00 54 E 8.24 4.22 0.00 2.38 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 0.00 2.60 2.59 0.00 55 K 7.88 4.08 0.00 2.06 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 56 A 7.99 4.17 1.48 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 0.00 0.00 57 Y 8.16 3.87 0.00 2.78 2.86 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 58 L 7.93 4.05 0.00 1.75 1.66 1.04 0.64 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 59 K 6.99 4.37 0.00 1.95 1.69 0.00 1.94 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.45 7.81 60 D 8.03 4.25 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.44 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 62 I 7.26 4.80 1.99 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 1.64 0.77 0.98 0.00 0.00 63 D 8.77 4.89 0.00 2.97 2.88 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 D 8.81 4.70 0.00 2.89 2.91 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 65 T 8.33 3.94 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 1.24 0.00 0.00 66 Q 8.56 4.00 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 67 Y 8.67 4.19 0.00 3.05 3.03 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 68 T 8.69 3.58 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 1.15 0.00 0.00 69 N 8.44 4.34 0.00 2.86 2.78 0.00 0.00 7.02 6.60 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 70 T 8.34 3.85 4.35 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 1.21 0.00 0.00 71 V 7.83 3.40 1.69 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 0.77 0.00 0.00 0.49 0.00 0.00 72 D 7.90 4.24 0.00 2.70 2.80 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 73 K 8.39 3.95 0.00 1.81 1.89 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 74 L 8.07 3.97 0.00 1.89 1.76 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.49 4.05 0.00 1.92 1.75 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.30 4.13 0.00 2.01 1.79 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.59 7.81 77 Q 8.04 3.83 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 78 F 8.69 4.58 0.00 3.21 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 79 K 7.71 3.80 0.00 1.87 1.77 0.00 1.82 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.52 7.81 80 V 7.63 3.63 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 0.69 0.00 0.00 0.80 0.00 0.00 81 Y 7.65 4.74 0.00 3.44 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 82 L 8.36 4.02 0.00 1.85 1.84 0.95 0.28 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 83 N 8.61 4.62 0.00 2.99 2.85 0.00 0.00 6.84 7.54 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 84 S 7.45 4.63 0.00 3.85 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 85 Q 8.40 4.53 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 86 N 7.67 4.45 0.00 2.87 2.84 0.00 0.00 6.91 6.84 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 87 K 7.80 4.36 0.00 1.74 1.83 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 88 E 7.86 4.75 0.00 2.03 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 0.00 2.26 2.56 0.00 89 E 7.45 4.57 0.00 1.95 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 2.14 2.31 0.00 *109 S 8.57 4.28 0.00 3.89 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 0.00 110 N 8.02 5.12 0.00 2.90 2.89 0.00 0.00 5.78 7.68 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 0.00 111 A 8.62 3.94 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 0.00 112 I 7.80 3.59 1.87 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 1.53 0.57 0.90 0.00 0.00 113 T 7.93 3.96 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 1.29 0.00 0.00 114 R 7.92 4.03 0.00 2.05 2.15 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 115 L 8.30 4.16 0.00 1.76 1.78 1.00 0.97 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 0.00 116 E 8.32 4.11 0.00 1.95 2.01 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 2.35 2.67 0.00 117 R 8.29 4.26 0.00 1.92 1.92 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.