NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2602 0.0000 0.0000 62.4417 31.7087 175.2298 3 K 3.8275 8.5489 124.7865 53.8502 31.2912 174.3809 4 K 3.9606 8.5168 125.1581 56.7288 34.1590 175.0847 5 V 4.9032 8.1320 124.1739 61.5370 34.3406 174.1354 6 L 4.7279 8.4837 124.0808 53.5486 46.5860 174.5766 7 T 4.5050 7.9799 111.4401 60.1110 70.8797 173.4016 8 G 4.0746 8.3161 109.7488 45.0359 0.0000 173.3604 9 V 4.0254 8.2014 121.1602 63.0272 33.1371 174.7467 10 V 4.4918 8.1904 125.1408 61.3907 32.8094 176.2546 11 V 4.4804 8.4148 121.3028 60.0488 32.3724 175.8649 12 S 5.0001 7.6531 117.3599 58.9753 64.4144 177.3579 13 D 4.7164 8.1421 123.1025 52.3427 38.8189 176.6595 14 K 4.1464 7.9445 120.9816 59.5237 32.4545 177.5556 15 M 4.4572 7.6677 117.8186 53.8580 33.5044 175.4220 16 Q 4.2130 8.4644 120.0204 56.0608 29.4424 176.4180 17 K 4.1165 8.8487 123.7250 57.2343 29.3230 175.1592 18 T 4.8450 7.5767 111.2080 63.3429 72.9096 174.4072 19 V 4.6749 8.7097 116.1997 60.5484 36.8237 173.8383 20 T 4.5374 8.4810 122.3981 63.2112 69.9813 173.8630 21 V 4.5974 8.6710 126.1636 60.8858 34.1860 174.4791 22 L 4.5077 8.6310 132.0407 54.6424 42.2702 175.8156 23 V 4.3055 8.6734 127.8614 61.3304 33.5013 175.8011 24 E 4.7158 8.6516 127.5721 56.3720 31.7228 175.4489 25 R 4.7084 7.8618 118.6054 56.6054 33.1087 173.4028 26 Q 5.1502 8.8110 124.7172 54.0847 31.4905 174.5358 27 F 4.8036 7.5665 112.1108 55.6606 40.6599 171.1507 28 P 4.9056 0.0000 0.0000 62.5554 32.2348 175.8298 29 H 4.5004 10.3110 125.5309 55.0995 30.8259 174.6324 30 P 4.3013 0.0000 0.0000 63.2844 30.5688 175.6782 31 L 4.2436 7.6247 120.6802 56.0847 47.6271 174.7273 32 Y 4.9541 8.1087 114.2695 56.7329 38.3743 176.8303 33 G 3.6929 7.6667 107.8816 44.5768 0.0000 174.9011 34 K 4.7631 7.5043 124.7431 52.6221 31.0429 174.7784 35 V 4.0525 8.1446 126.0613 63.5972 32.3130 175.2484 36 I 4.5412 8.1593 118.8553 59.2235 40.7619 174.6751 37 K 4.4428 8.6215 125.5048 56.5969 33.2362 176.9103 38 R 4.3718 8.1240 120.5715 56.0529 32.8226 174.4830 39 S 5.0016 8.7799 121.7595 57.4913 65.3820 172.9884 40 K 4.6040 8.6565 119.9225 55.0650 35.9376 174.3931 41 K 5.0105 8.3144 123.6728 54.7704 34.6245 175.0332 42 Y 4.6411 8.8075 122.1930 56.2166 40.8650 175.4140 43 L 4.9335 8.8225 124.2755 54.0368 40.9682 176.3230 44 A 4.6226 9.0687 126.1399 51.7930 20.0467 176.4861 45 H 4.7367 9.0812 121.1901 55.3159 31.5771 175.1028 46 D 5.3400 7.3967 123.2467 53.5105 42.0907 175.1976 47 P 4.7973 0.0000 0.0000 62.4592 31.1207 177.9931 48 E 4.5609 8.5445 114.7960 56.1365 33.3352 174.9094 49 E 3.9946 7.7338 117.0337 57.0778 27.6924 175.9888 50 K 4.0210 8.2757 117.3712 58.3600 33.7572 176.4548 51 Y 4.5024 7.8904 117.6569 56.0884 38.7518 175.4425 52 K 4.4236 8.5174 124.4353 54.6705 34.5764 175.6185 53 L 4.0177 8.3446 121.7023 57.8236 42.0874 176.3354 54 G 3.9262 8.2613 112.4857 45.5797 0.0000 173.8012 55 D 4.8133 7.9021 120.6065 54.5537 42.4425 175.4865 56 V 4.6679 7.8680 114.6400 63.2312 32.8332 174.9500 57 V 4.5375 7.5455 118.5684 59.5607 35.3481 173.9341 58 E 5.0266 8.2450 119.0745 55.3851 32.9841 175.7545 59 I 4.7220 9.3127 123.4405 59.3480 40.4515 174.9617 60 I 4.7254 8.3208 123.2068 60.3502 41.0130 172.8850 61 E 3.6184 9.1384 130.4483 56.2761 29.9736 176.3153 62 S 4.6840 7.7751 120.4131 56.7086 67.8542 173.5413 63 R 3.9077 8.4303 120.9614 55.5377 30.2673 174.2871 64 P 4.1687 0.0000 0.0000 63.6048 31.6997 175.9349 65 I 4.2724 7.6546 122.9417 61.4876 39.0269 176.0891 66 S 4.6242 7.7211 111.9629 57.0941 64.3869 176.3431 67 K 3.5642 8.8748 122.2916 58.5029 32.5313 176.3860 68 R 3.7416 8.4433 124.7083 55.2594 27.9072 176.3255 69 K 5.1530 6.4835 123.4437 56.4594 33.9948 173.4449 70 R 4.9134 6.9496 125.1898 53.3163 30.4042 175.2249 71 F 5.1575 7.6102 115.5378 56.8821 43.9473 175.6245 72 R 4.8439 8.5492 122.5758 54.6680 33.1037 176.0143 73 V 3.8402 8.2036 121.4454 62.9514 31.1479 175.3298 74 L 4.1142 9.1885 132.6952 56.9425 41.8025 177.7049 75 R 4.8978 8.4164 111.8490 54.2226 34.6735 176.0307 76 L 4.8107 8.4670 121.2197 54.7594 43.5909 174.9377 77 V 4.4790 7.7430 117.2852 63.4778 35.7438 174.5614 78 E 4.7692 7.6885 114.2152 55.2129 32.6423 173.6117 79 S 4.5265 8.2624 111.9964 57.9401 65.4434 173.7537 80 G 4.0471 8.9236 113.0167 45.4568 0.0000 175.7634 81 R 4.3820 7.5064 118.3766 56.1578 29.1342 178.3664 82 M 4.2045 8.8620 115.3737 56.8325 31.6005 176.5447 83 D 4.6731 8.5383 122.1895 55.2511 40.2855 178.6799 84 L 3.9059 7.6819 119.9700 57.3938 41.6322 179.3007 85 V 3.7284 7.7533 118.0299 65.9990 31.5520 177.7718 86 E 3.5674 7.8564 118.0807 59.2335 28.7619 179.3603 87 K 4.0642 7.9557 118.3821 58.5303 32.1301 178.2759 88 Y 4.2685 7.6758 119.2497 59.8543 39.4644 177.2075 89 L 3.7730 8.6599 120.9353 57.6825 41.5081 179.7075 90 I 3.5852 7.8781 119.7070 64.4963 36.9565 178.2316 91 R 3.6569 7.0937 117.8129 59.4490 29.9310 178.0097 92 R 3.6948 7.3894 117.6639 58.9856 30.4818 178.0728 93 Q 4.1739 7.8239 116.6099 57.7792 28.2121 177.6180 94 N 4.5537 7.4905 117.5259 54.6910 38.3200 176.1376 95 Y 4.2637 8.0856 118.6433 59.7006 37.7851 177.3616 96 E 4.0163 7.5755 119.7568 59.1983 29.9737 178.2496 97 S 4.4812 7.3675 109.8597 59.1307 63.0507 174.1455 98 L 4.7193 7.4336 121.2206 54.8096 42.0974 176.4455 99 S 4.9383 7.7293 115.4571 57.4746 65.9083 173.5859 100 K 4.4503 8.1698 116.6789 56.5375 33.1909 176.7893 *101 R 4.1415 7.7293 120.8170 56.4952 30.0213 177.3123 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 2 P 0.00 4.26 0.00 2.19 2.17 0.00 3.77 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 1.89 2.00 0.00 3 K 8.55 3.83 0.00 1.86 1.89 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 4 K 8.52 3.96 0.00 1.95 1.83 0.00 1.45 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.45 7.81 5 V 8.13 4.90 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 0.83 0.00 0.00 1.03 0.00 0.00 6 L 8.48 4.73 0.00 1.13 1.17 0.58 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.98 4.50 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 1.17 0.00 0.00 8 G 8.32 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 9 V 8.20 4.03 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 0.91 0.00 0.00 10 V 8.19 4.49 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 0.98 0.00 0.00 0.93 0.00 0.00 11 V 8.41 4.48 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 0.50 0.00 0.00 0.73 0.00 0.00 12 S 7.65 5.00 0.00 3.96 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 13 D 8.14 4.72 0.00 2.82 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 14 K 7.94 4.15 0.00 1.75 1.93 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.67 4.46 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 16 Q 8.46 4.21 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 17 K 8.85 4.12 0.00 1.90 1.82 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.44 7.81 18 T 7.58 4.84 4.27 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 1.32 0.00 0.00 19 V 8.71 4.67 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 0.74 0.00 0.00 0.97 0.00 0.00 20 T 8.48 4.54 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 1.19 0.00 0.00 21 V 8.67 4.60 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 1.01 0.00 0.00 0.88 0.00 0.00 22 L 8.63 4.51 0.00 1.30 1.41 0.83 0.56 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 23 V 8.67 4.31 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 0.88 0.00 0.00 0.96 0.00 0.00 24 E 8.65 4.72 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 2.31 2.30 0.00 25 R 7.86 4.71 0.00 1.95 2.07 0.00 3.21 0.00 0.00 3.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 26 Q 8.81 5.15 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 27 F 7.57 4.80 0.00 3.08 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 28 P 0.00 4.91 0.00 2.06 2.09 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 29 H 10.31 4.50 0.00 3.29 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.30 0.00 2.13 2.07 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 31 L 7.62 4.24 0.00 1.29 1.03 0.79 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.11 4.95 0.00 2.82 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 33 G 7.67 3.69 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 0.00 0.00 0.00 34 K 7.50 4.76 0.00 1.80 2.08 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.45 7.81 35 V 8.14 4.05 2.05 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 0.92 0.00 0.00 0.93 0.00 0.00 36 I 8.16 4.54 1.67 0.00 0.00 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 0.72 -0.28 0.87 0.00 0.00 37 K 8.62 4.44 0.00 1.64 1.76 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.40 7.81 38 R 8.12 4.37 0.00 1.72 1.91 0.00 3.42 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 39 S 8.78 5.00 0.00 3.98 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 40 K 8.66 4.60 0.00 1.79 1.55 0.00 1.47 0.00 0.00 1.32 0.00 0.00 2.25 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.71 1.20 7.81 41 K 8.31 5.01 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.14 1.34 7.81 42 Y 8.81 4.64 0.00 2.81 2.90 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 43 L 8.82 4.93 0.00 1.62 1.71 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.07 4.62 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 45 H 9.08 4.74 0.00 3.14 3.30 0.00 6.05 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.40 5.34 0.00 2.89 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 47 P 0.00 4.80 0.00 2.25 2.19 0.00 3.84 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 2.02 2.07 0.00 48 E 8.54 4.56 0.00 1.89 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 2.24 2.29 0.00 49 E 7.73 3.99 0.00 2.08 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 2.28 2.38 0.00 50 K 8.28 4.02 0.00 1.44 1.77 0.00 1.28 0.00 0.00 1.95 0.00 0.00 3.19 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.47 1.17 7.81 51 Y 7.89 4.50 0.00 3.14 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 52 K 8.52 4.42 0.00 1.94 1.94 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.52 7.81 53 L 8.34 4.02 0.00 1.88 1.69 1.00 1.16 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 54 G 8.26 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 0.00 0.00 0.00 55 D 7.90 4.81 0.00 2.79 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 56 V 7.87 4.67 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 0.90 0.00 0.00 0.93 0.00 0.00 57 V 7.55 4.54 1.81 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 0.30 0.00 0.00 0.64 0.00 0.00 58 E 8.25 5.03 0.00 1.85 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 0.00 2.14 2.32 0.00 59 I 9.31 4.72 1.41 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.24 0.21 0.00 0.00 60 I 8.32 4.73 1.88 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 1.28 1.29 1.02 0.00 0.00 61 E 9.14 3.62 0.00 2.18 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 2.24 2.17 0.00 62 S 7.78 4.68 0.00 3.70 3.68 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 0.00 0.00 0.00 63 R 8.43 3.91 0.00 1.73 1.79 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 64 P 0.00 4.17 0.00 2.04 1.97 0.00 3.64 0.00 0.00 3.69 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 65 I 7.65 4.27 1.96 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.84 0.00 0.00 66 S 7.72 4.62 0.00 3.95 3.81 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 67 K 8.87 3.56 0.00 1.73 1.81 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 68 R 8.44 3.74 0.00 1.95 1.91 0.00 3.39 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 69 K 6.48 5.15 0.00 1.88 1.87 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.60 7.81 70 R 6.95 4.91 0.00 1.47 1.35 0.00 3.21 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 71 F 7.61 5.16 0.00 2.98 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 72 R 8.55 4.84 0.00 1.78 1.88 0.00 3.15 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 73 V 8.20 3.84 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 -0.30 0.00 0.00 0.85 0.00 0.00 74 L 9.19 4.11 0.00 1.71 1.43 0.94 0.80 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 75 R 8.42 4.90 0.00 1.92 2.01 0.00 3.03 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 76 L 8.47 4.81 0.00 1.93 1.77 1.11 0.90 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 77 V 7.74 4.48 2.33 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 0.83 0.00 0.00 0.93 0.00 0.00 78 E 7.69 4.77 0.00 2.06 1.88 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 2.17 2.30 0.00 79 S 8.26 4.53 0.00 3.82 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 80 G 8.92 4.05 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 0.00 0.00 0.00 81 R 7.51 4.38 0.00 2.00 1.96 0.00 3.51 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 82 M 8.86 4.20 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.72 0.00 83 D 8.54 4.67 0.00 2.82 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 84 L 7.68 3.91 0.00 1.81 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.75 3.73 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 1.18 0.00 0.00 0.97 0.00 0.00 86 E 7.86 3.57 0.00 2.03 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 2.55 2.51 0.00 87 K 7.96 4.06 0.00 2.03 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.60 7.81 88 Y 7.68 4.27 0.00 3.00 3.18 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 89 L 8.66 3.77 0.00 1.63 1.65 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.88 3.59 1.91 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 1.61 0.90 0.85 0.00 0.00 91 R 7.09 3.66 0.00 1.91 2.03 0.00 3.28 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 92 R 7.39 3.69 0.00 1.62 1.87 0.00 3.00 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 93 Q 7.82 4.17 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 94 N 7.49 4.55 0.00 2.60 2.66 0.00 0.00 6.91 7.37 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 95 Y 8.09 4.26 0.00 3.05 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 96 E 7.58 4.02 0.00 2.06 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 2.32 2.37 0.00 97 S 7.37 4.48 0.00 3.89 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 98 L 7.43 4.72 0.00 1.77 1.75 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.73 4.94 0.00 3.96 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 0.00 100 K 8.17 4.45 0.00 1.72 1.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.44 7.81 *101 R 7.73 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.