NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7355 8.3049 120.6146 55.4912 33.5277 174.3276 2 K 4.7154 8.9981 123.2713 53.7116 37.2596 173.3366 3 L 5.0213 9.7490 126.1773 53.5402 45.0821 174.6968 4 I 4.9008 8.9413 127.9680 59.8376 39.4163 174.7876 5 V 4.9565 9.1409 127.4179 61.1618 33.8332 174.0064 6 A 5.3058 9.1438 129.9108 50.1508 22.5216 174.5488 7 I 4.9438 8.6296 121.9388 59.7646 39.8702 175.3919 8 V 5.0051 8.7306 119.6827 59.0691 36.4912 175.4549 9 R 4.3188 8.3603 120.3143 55.4815 30.9022 176.3623 10 P 4.2573 0.0000 0.0000 65.7506 31.4341 178.0931 11 E 4.2110 8.1428 112.7795 57.5068 29.7742 177.5734 12 K 4.4688 7.8915 118.7048 55.9080 33.0526 177.3683 13 L 3.8880 7.7301 122.4359 58.3865 42.0674 178.4459 14 N 4.2758 8.1361 115.7903 56.4092 38.4695 176.8323 15 E 3.8925 8.0361 120.0799 59.1161 29.7240 178.8992 16 V 3.4831 7.8927 118.3462 65.9274 31.5701 177.9004 17 L 3.4624 8.0714 119.1273 57.4649 41.3879 179.4112 18 K 3.7662 7.7961 119.1285 59.4453 32.1791 178.6096 19 A 3.9846 7.8377 120.9370 55.0877 18.2139 179.5874 20 L 3.9373 7.9802 117.6195 58.1141 41.7267 179.7521 21 F 4.5500 8.2117 118.0813 60.8447 38.6158 177.5523 22 Q 4.1448 8.3344 117.9485 58.4062 28.9073 176.9277 23 A 4.4532 7.6639 119.6239 51.5675 18.8153 177.1214 24 E 3.7322 7.9820 116.1718 57.3361 27.3658 174.9484 25 V 4.0759 8.0383 120.0167 61.6900 30.8479 175.1261 26 R 4.5253 8.3327 125.8862 56.2773 31.8171 177.0802 27 G 3.8446 7.9664 107.4411 44.8867 0.0000 172.5576 28 L 4.7056 7.9235 123.6477 55.2856 43.3230 174.3311 29 T 4.9149 8.8628 116.4410 61.7846 72.3428 173.1295 30 L 5.4886 8.4693 124.2669 54.5441 44.0734 175.1957 31 S 4.7045 8.7563 113.2453 57.3698 66.9363 172.9720 32 R 4.7833 8.4450 119.8638 55.7122 31.1672 176.2143 33 V 4.6586 8.7734 115.7321 59.9787 36.7792 173.9575 34 Q 5.1121 8.6021 119.0530 54.6911 32.0882 175.3292 35 G 4.3018 9.0718 108.3427 45.6792 0.0000 171.1918 36 H 5.2011 8.6763 118.9925 54.0965 32.5485 173.6678 37 G 3.7227 8.5847 113.7492 47.0201 0.0000 173.5883 *55 L 4.2442 7.5483 118.9461 54.8228 42.9412 175.6015 56 H 5.0889 8.7098 118.7941 53.6776 32.5365 173.0412 57 E 4.5807 8.8433 121.7057 56.7705 30.2279 176.1800 58 K 4.7364 9.3065 122.4216 55.1677 37.8350 174.8213 59 V 4.7477 8.7696 120.6258 61.2415 34.5128 173.9659 60 R 5.0292 8.9695 128.3768 54.7517 32.0491 174.4142 61 L 5.1834 9.1691 126.8333 53.0090 44.6043 175.1262 62 E 4.9820 9.5343 124.1719 54.5710 32.5180 174.6026 63 I 4.7309 9.2058 128.6179 59.4535 40.6024 174.8833 64 G 4.2893 8.7717 115.1617 45.3602 0.0000 172.9552 65 V 4.8272 8.7817 118.2221 59.2906 36.6291 175.6936 66 S 4.6899 8.5962 116.9624 57.7450 64.1699 174.8839 67 E 3.9790 9.0592 120.8326 59.6442 28.9173 178.1830 68 P 4.3134 0.0000 0.0000 64.6099 31.7559 177.5873 69 F 4.4022 8.2644 115.5000 57.4520 39.1269 177.7429 70 V 3.6278 7.5792 119.5248 66.0292 31.4273 177.8950 71 K 3.9345 7.9576 117.4301 59.1484 32.0443 177.2548 72 P 4.2880 0.0000 0.0000 66.0230 31.3141 178.8383 73 T 3.9319 8.1001 114.3359 66.5848 68.3490 177.0073 74 V 3.6003 8.1116 120.5117 66.1668 31.5749 177.9436 75 E 3.9305 8.8093 118.3927 59.2066 29.2658 179.0672 76 A 4.0038 8.0495 120.8608 55.3311 18.3555 179.8687 77 I 3.6537 7.6482 117.6875 64.3536 37.0128 178.4585 78 L 3.9467 8.1305 120.1736 57.9461 41.2743 179.9504 79 K 3.8878 7.9278 116.5412 59.4517 32.1274 179.1114 80 A 4.1251 7.8681 119.5077 54.2723 18.5007 178.6743 81 A 4.2648 8.0111 117.5354 52.0109 19.6685 177.6527 82 R 4.2399 7.0597 118.3114 56.2654 30.6972 176.1569 83 T 4.3976 9.4902 113.7195 60.7375 70.5534 175.2147 84 G 3.9091 8.8963 109.1781 44.8422 0.0000 172.4265 85 E 4.6010 7.7455 120.3991 53.5815 31.7741 175.1671 86 V 3.6590 8.1018 123.1868 64.4123 31.7951 175.9744 87 G 4.1502 9.0873 113.6140 45.4953 0.0000 175.1051 88 D 4.1922 7.5147 120.3179 56.2504 40.9336 175.2188 89 G 4.2074 7.0622 99.3955 44.7529 0.0000 172.2812 90 K 4.6183 8.2846 115.9383 54.7574 37.0721 175.7707 91 I 4.8865 7.8400 121.5204 59.7368 39.9801 174.9200 92 F 4.7952 9.6225 126.6283 55.7316 41.3805 175.1062 93 V 4.7723 8.5600 122.9313 61.3782 33.0226 174.4313 94 L 4.9955 8.9648 128.9393 52.1194 44.4001 174.6312 95 P 4.7645 0.0000 0.0000 62.8360 32.4709 175.6313 96 V 4.3698 8.0827 120.6668 61.5451 33.5611 175.2050 97 E 4.1985 9.1193 127.5835 58.8769 29.8618 177.0803 98 K 4.5817 7.5247 114.4617 54.8532 36.2469 175.5184 99 V 4.4844 7.6886 119.5929 61.3200 34.5545 174.2915 100 Y 4.7623 8.4939 122.9992 56.0876 41.2449 175.0260 101 R 4.4260 8.7750 124.3261 54.8259 30.5587 177.1712 102 I 3.7174 8.4928 127.3090 64.4142 37.4809 177.4076 103 R 4.0246 8.2195 119.5485 59.0147 29.8015 176.9127 104 T 4.2749 7.8724 104.7310 60.7009 69.9909 175.2886 105 G 3.9251 8.2133 109.8381 46.0467 0.0000 173.0426 106 E 4.6958 7.6499 119.3767 54.3154 31.5739 177.0398 107 E 4.1570 8.4010 123.4768 55.8776 30.9676 176.1700 108 D 4.2391 8.0232 116.5363 54.7205 41.5902 175.9572 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 M 8.30 4.74 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 K 9.00 4.72 0.00 1.69 1.65 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.62 7.81 3 L 9.75 5.02 0.00 1.73 1.52 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.94 4.90 2.00 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 1.16 0.50 0.95 0.00 0.00 5 V 9.14 4.96 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 1.03 0.00 0.00 0.96 0.00 0.00 6 A 9.14 5.31 1.22 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 7 I 8.63 4.94 1.93 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 1.40 1.25 0.95 0.00 0.00 8 V 8.73 5.01 2.07 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 0.74 0.00 0.00 0.98 0.00 0.00 9 R 8.36 4.32 0.00 1.86 2.14 0.00 3.12 0.00 0.00 3.53 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 10 P 0.00 4.26 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 11 E 8.14 4.21 0.00 2.06 2.06 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 2.26 2.26 0.00 12 K 7.89 4.47 0.00 1.75 1.81 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.52 7.81 13 L 7.73 3.89 0.00 1.76 1.76 0.89 0.68 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 14 N 8.14 4.28 0.00 2.75 2.84 0.00 0.00 6.69 7.66 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 15 E 8.04 3.89 0.00 2.00 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 0.00 2.34 2.34 0.00 16 V 7.89 3.48 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 1.00 0.00 0.00 0.98 0.00 0.00 17 L 8.07 3.46 0.00 1.54 0.97 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.80 3.77 0.00 1.85 1.91 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 A 7.84 3.98 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 20 L 7.98 3.94 0.00 1.63 1.91 0.86 1.40 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 21 F 8.21 4.55 0.00 3.17 3.01 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 22 Q 8.33 4.14 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 23 A 7.66 4.45 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.98 3.73 0.00 2.51 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 0.00 2.31 2.34 0.00 25 V 8.04 4.08 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 0.82 0.00 0.00 1.14 0.00 0.00 26 R 8.33 4.53 0.00 1.72 1.80 0.00 3.27 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.54 0.00 27 G 7.97 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 0.00 0.00 0.00 28 L 7.92 4.71 0.00 1.63 1.65 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.86 4.91 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 1.23 0.00 0.00 30 L 8.47 5.49 0.00 1.67 1.59 0.93 0.57 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 31 S 8.76 4.70 0.00 3.90 3.96 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 0.00 0.00 0.00 32 R 8.44 4.78 0.00 1.70 1.91 0.00 3.21 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 33 V 8.77 4.66 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 0.77 0.00 0.00 0.99 0.00 0.00 34 Q 8.60 5.11 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 35 G 9.07 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 0.00 0.00 0.00 0.00 36 H 8.68 5.20 0.00 3.09 3.13 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.58 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 0.00 0.00 0.00 *55 L 7.55 4.24 0.00 1.64 1.64 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.71 5.09 0.00 3.02 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.84 4.58 0.00 1.87 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 2.32 2.36 0.00 58 K 9.31 4.74 0.00 1.61 1.81 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.55 7.81 59 V 8.77 4.75 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 1.09 0.00 0.00 0.93 0.00 0.00 60 R 8.97 5.03 0.00 1.93 1.78 0.00 3.13 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 1.56 1.62 0.00 61 L 9.17 5.18 0.00 1.63 1.55 0.95 0.52 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 62 E 9.53 4.98 0.00 1.97 1.80 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 2.20 2.27 0.00 63 I 9.21 4.73 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 0.60 0.98 0.00 0.00 64 G 8.77 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 0.00 0.00 0.00 0.00 65 V 8.78 4.83 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 0.76 0.00 0.00 1.03 0.00 0.00 66 S 8.60 4.69 0.00 4.08 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 0.00 67 E 9.06 3.98 0.00 2.02 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 0.00 2.43 2.39 0.00 68 P 0.00 4.31 0.00 1.98 2.03 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 69 F 8.26 4.40 0.00 3.29 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 70 V 7.58 3.63 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 1.14 0.00 0.00 1.01 0.00 0.00 71 K 7.96 3.93 0.00 1.85 1.82 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.59 7.81 72 P 0.00 4.29 0.00 2.17 2.06 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 73 T 8.10 3.93 4.51 0.00 0.00 0.00 0.00 0.00 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 74 V 8.11 3.60 2.20 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 1.11 0.00 0.00 1.01 0.00 0.00 75 E 8.81 3.93 0.00 2.03 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 2.32 2.47 0.00 76 A 8.05 4.00 1.41 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 0.00 0.00 0.00 77 I 7.65 3.65 1.98 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 1.50 0.78 0.89 0.00 0.00 78 L 8.13 3.95 0.00 1.78 1.71 0.90 0.99 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 79 K 7.93 3.89 0.00 1.78 1.85 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 80 A 7.87 4.13 1.30 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 0.00 0.00 0.00 81 A 8.01 4.26 1.30 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 0.00 0.00 0.00 82 R 7.06 4.24 0.00 1.99 1.82 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 83 T 9.49 4.40 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 1.24 0.00 0.00 84 G 8.90 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 0.00 0.00 0.00 85 E 7.75 4.60 0.00 2.04 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 2.19 2.24 0.00 86 V 8.10 3.66 2.06 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 0.82 0.00 0.00 0.92 0.00 0.00 87 G 9.09 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 88 D 7.51 4.19 0.00 2.49 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 89 G 7.06 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 0.00 0.00 0.00 0.00 90 K 8.28 4.62 0.00 1.45 1.10 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.40 7.81 91 I 7.84 4.89 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.90 0.00 0.00 92 F 9.62 4.80 0.00 3.00 2.96 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 0.00 0.00 0.00 93 V 8.56 4.77 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 0.85 0.00 0.00 0.95 0.00 0.00 94 L 8.96 5.00 0.00 1.60 1.55 0.91 0.81 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 95 P 0.00 4.76 0.00 2.08 2.06 0.00 3.73 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 2.00 1.98 0.00 96 V 8.08 4.37 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 97 E 9.12 4.20 0.00 2.02 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 0.00 2.32 2.34 0.00 98 K 7.52 4.58 0.00 1.74 1.34 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.42 7.81 99 V 7.69 4.48 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 0.83 0.00 0.00 0.90 0.00 0.00 100 Y 8.49 4.76 0.00 2.92 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 0.00 101 R 8.78 4.43 0.00 1.84 1.84 0.00 3.10 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 102 I 8.49 3.72 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 1.31 0.68 0.91 0.00 0.00 103 R 8.22 4.02 0.00 1.77 1.98 0.00 3.21 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 T 7.87 4.27 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 1.22 0.00 0.00 105 G 8.21 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 0.00 106 E 7.65 4.70 0.00 2.01 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 2.28 2.43 0.00 107 E 8.40 4.16 0.00 1.91 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 1.87 1.47 0.00 108 D 8.02 4.24 0.00 2.54 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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.