NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1419 8.1233 122.4348 51.8989 20.5998 175.2527 2 T 4.5263 7.9591 116.8157 61.3696 71.1989 171.6765 3 Y 4.9943 9.5590 125.0242 55.9986 42.5738 174.5738 4 K 4.7345 9.1462 122.2232 55.9297 33.9819 176.0024 5 V 4.7874 8.9070 125.1562 61.4476 34.3115 174.1289 6 T 4.9272 9.2105 125.5294 62.3197 70.4142 173.6317 7 L 4.9855 9.3512 127.5969 53.2157 44.0169 175.5043 8 I 4.8606 8.6836 125.8965 59.7715 38.7059 175.0583 9 N 5.2312 8.6831 124.8875 50.1837 40.0046 174.0543 10 P 4.2529 0.0000 0.0000 65.4990 31.3114 177.6880 11 T 4.3699 7.5412 105.1483 62.0434 70.4456 173.8890 12 G 3.8876 7.4229 108.3641 45.1323 0.0000 171.5574 *15 N 5.1800 8.5263 115.8104 53.0212 38.7128 174.2633 16 K 4.6453 8.6825 118.8952 55.4679 36.7637 175.3266 17 T 5.0995 8.6288 121.7632 62.3769 70.0655 174.1361 18 I 4.7323 8.5834 117.8767 59.2538 41.7840 174.0628 19 E 4.8411 8.7951 123.0917 55.3259 30.5064 175.7154 20 V 4.4119 9.0758 126.8726 60.0918 33.3071 173.4301 21 P 4.7613 0.0000 0.0000 63.1454 32.0921 176.5167 22 D 4.9128 8.6533 120.2746 54.0608 39.6124 176.3791 23 D 4.2876 7.9125 117.7688 52.7507 39.8339 174.9348 24 Q 4.6169 7.7489 120.1009 54.1771 31.6681 175.4561 25 Y 4.5053 8.0836 122.4036 58.0796 39.7112 177.3137 26 I 3.7549 8.6666 125.5991 64.6855 37.3185 178.4295 27 L 3.8946 8.0168 120.7493 58.2247 41.9581 178.3484 28 D 4.4014 8.2929 118.0289 57.7213 40.9388 179.1152 29 A 4.0228 8.1569 120.4677 54.9835 18.3930 179.2775 30 A 3.9631 8.2085 119.4719 55.5431 18.4639 179.7993 31 E 4.2486 8.1958 118.1037 59.1855 29.3665 178.9110 32 E 4.0409 7.8829 117.8017 59.1961 29.5557 177.9117 33 A 4.5258 7.6317 117.6178 51.5139 19.0412 177.8031 34 G 3.8602 8.3787 106.4051 46.0304 0.0000 173.7511 35 I 4.0900 7.7880 121.3467 60.1007 37.9871 174.7654 36 D 4.9400 8.6348 125.4507 52.9970 40.8471 175.8117 37 L 4.7314 8.1432 124.0970 51.8669 43.8479 174.9982 38 P 4.4495 0.0000 0.0000 63.0497 32.0644 174.9654 39 Y 4.7230 7.5111 117.0760 56.3019 40.7052 173.1580 40 S 4.4704 8.1201 113.2119 59.4779 65.7612 174.5582 41 C 4.2164 8.5865 116.7143 59.6447 30.4694 174.8546 42 R 3.7460 8.0805 116.5872 56.5705 26.9280 176.8030 43 A 4.4148 7.9402 114.6460 52.4982 21.5544 177.4276 44 G 3.7923 8.5337 104.6590 46.3933 0.0000 174.7281 45 A 4.8588 7.9235 118.6938 51.3211 20.1433 175.9292 46 C 4.1091 7.4460 110.0386 56.7015 32.7925 173.1353 47 S 4.3204 7.7179 110.8924 58.6914 64.0551 175.8029 48 T 4.3014 8.0243 117.1008 65.4850 67.8941 174.0549 49 C 4.8244 8.0362 112.2755 56.6471 30.6170 173.2164 50 A 4.4026 7.9506 123.4364 52.8428 19.6302 177.2882 51 G 4.5722 9.2768 106.6594 44.6897 0.0000 170.9454 52 K 4.7321 9.0066 120.5476 54.3500 35.1375 175.9527 53 L 4.5046 8.9566 129.0471 55.2453 41.4991 177.2161 54 I 4.3069 8.3650 123.6776 62.3618 39.4155 175.7834 55 S 4.3526 8.0782 113.6069 58.6895 65.6463 176.1905 56 G 3.7498 9.4571 112.2348 45.7315 0.0000 172.2682 57 T 4.7863 8.3806 107.1671 60.0298 72.3147 173.4802 58 V 4.9215 8.3389 114.8062 59.7212 36.0176 174.7113 59 D 4.9234 9.6521 123.6226 52.2190 42.8255 176.8275 60 Q 5.1463 8.3936 127.7609 54.5002 28.9351 177.7169 61 S 4.2232 8.4476 113.8157 62.3237 63.4507 175.0592 62 D 4.6576 8.1552 118.5741 54.7194 40.8091 175.9101 63 Q 4.5845 7.7771 118.2491 55.0447 30.0853 175.7469 64 S 4.6504 8.7154 111.5496 57.8364 64.6659 175.2473 65 F 4.2298 8.4401 122.8870 60.7320 39.4624 175.5460 66 L 4.2981 9.0214 121.5205 54.1890 42.2364 177.1305 67 D 4.6466 8.7651 123.9394 52.3963 41.7440 177.1670 68 D 4.4369 8.6462 120.3100 56.6856 38.8664 178.2489 69 D 4.5334 8.0395 118.9882 56.0313 41.5499 178.5300 70 Q 4.1090 8.9359 119.0876 59.0079 28.6580 178.5374 71 I 3.7384 7.7687 120.7459 64.7790 37.0056 178.2790 72 E 3.9599 7.7293 117.1488 59.3331 29.4450 178.9627 73 A 4.2219 7.8267 118.7224 53.3143 18.6516 178.1679 74 G 3.8408 8.2710 106.7379 45.0284 0.0000 173.1400 75 Y 4.6842 7.5790 116.6296 57.8091 38.9893 175.4823 76 V 4.6445 8.5731 120.6980 61.5741 35.8109 174.0638 77 L 4.8647 8.9461 128.5223 53.5280 41.7630 177.3323 78 T 3.9930 8.3820 116.1637 64.4641 69.0983 176.6485 79 C 4.0018 8.1484 116.3348 60.2852 30.0678 174.4410 80 V 3.1513 7.5865 111.6382 60.2848 32.8416 174.7155 81 A 4.8716 7.6416 123.5212 50.5200 21.2628 175.9308 82 Y 5.0640 8.7517 120.8693 55.8831 40.0940 173.6326 83 P 4.8954 0.0000 0.0000 63.2021 32.1621 176.0999 84 T 4.4819 8.5539 112.1647 61.3880 69.6212 173.4283 85 S 3.4436 6.9553 115.0473 57.0934 65.5274 174.6104 86 D 4.8172 8.5195 120.0188 55.5083 41.6258 175.9500 87 C 4.9823 9.4319 117.5640 56.6602 34.2957 172.7176 88 V 4.8650 8.9755 118.1058 61.2675 34.5151 174.1131 89 I 5.0148 8.7339 127.7440 59.5591 41.1973 174.2191 90 E 4.7611 9.3421 127.6396 56.2321 30.7136 176.7387 91 T 4.4007 8.6399 115.9569 60.2646 71.5670 173.6543 92 H 4.0064 8.2199 114.9525 57.5254 25.6723 175.3304 93 K 4.5866 7.9657 113.8816 56.2469 33.0736 178.6032 94 E 4.1040 8.4970 122.8464 59.4532 29.3402 179.1159 95 E 4.1124 8.0911 114.1483 58.7122 30.0205 177.6272 96 E 4.0617 7.7860 117.6028 58.1532 29.7604 176.9216 97 L 4.1979 7.6426 123.4944 54.6633 41.8755 176.0909 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 A 8.12 4.14 0.77 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 0.00 0.00 2 T 7.96 4.53 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 1.15 0.00 0.00 3 Y 9.56 4.99 0.00 2.98 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 4 K 9.15 4.73 0.00 1.79 1.77 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.43 7.81 5 V 8.91 4.79 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 1.01 0.00 0.00 1.01 0.00 0.00 6 T 9.21 4.93 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 1.22 0.00 0.00 7 L 9.35 4.99 0.00 1.57 1.60 0.94 0.79 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 8 I 8.68 4.86 1.88 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 1.29 0.71 0.92 0.00 0.00 9 N 8.68 5.23 0.00 2.74 2.98 0.00 0.00 6.53 7.24 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 10 P 0.00 4.25 0.00 2.01 2.15 0.00 3.53 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 1.91 2.04 0.00 11 T 7.54 4.37 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 1.20 0.00 0.00 12 G 7.42 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 0.00 0.00 0.00 *15 N 8.53 5.18 0.00 2.75 2.94 0.00 0.00 5.66 7.13 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 16 K 8.68 4.65 0.00 1.71 1.70 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 17 T 8.63 5.10 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 1.28 0.00 0.00 18 I 8.58 4.73 1.89 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 1.37 1.21 0.93 0.00 0.00 19 E 8.80 4.84 0.00 1.87 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 0.00 2.26 2.30 0.00 20 V 9.08 4.41 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 1.17 0.00 0.00 0.99 0.00 0.00 21 P 0.00 4.76 0.00 2.33 2.15 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 22 D 8.65 4.91 0.00 3.13 3.04 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 23 D 7.91 4.29 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 24 Q 7.75 4.62 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 25 Y 8.08 4.51 0.00 3.00 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 0.00 26 I 8.67 3.75 2.01 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 1.46 0.76 0.93 0.00 0.00 27 L 8.02 3.89 0.00 1.73 1.59 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.29 4.40 0.00 2.96 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 29 A 8.16 4.02 1.44 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 0.00 0.00 30 A 8.21 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.20 4.25 0.00 2.01 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 2.31 2.31 0.00 32 E 7.88 4.04 0.00 2.24 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 2.34 2.36 0.00 33 A 7.63 4.53 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 34 G 8.38 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 0.00 0.00 0.00 35 I 7.79 4.09 2.03 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 1.32 1.28 0.94 0.00 0.00 36 D 8.63 4.94 0.00 2.70 2.68 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 37 L 8.14 4.73 0.00 1.66 1.57 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.45 0.00 2.33 2.11 0.00 3.55 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.79 0.00 39 Y 7.51 4.72 0.00 2.98 2.87 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 40 S 8.12 4.47 0.00 3.70 3.56 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 41 C 8.59 4.22 0.00 3.10 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 42 R 8.08 3.75 0.00 1.95 1.96 0.00 2.95 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 1.46 1.88 0.00 43 A 7.94 4.41 1.20 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 0.00 0.00 0.00 44 G 8.53 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.86 1.25 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 0.00 0.00 0.00 46 C 7.45 4.11 0.00 2.72 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 47 S 7.72 4.32 0.00 3.89 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 48 T 8.02 4.30 4.16 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 1.14 0.00 0.00 49 C 8.04 4.82 0.00 3.07 3.12 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 50 A 7.95 4.40 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.28 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.01 4.73 0.00 1.63 1.50 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.41 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.95 0.41 7.81 53 L 8.96 4.50 0.00 1.59 1.54 0.90 0.90 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 54 I 8.37 4.31 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.82 0.89 0.00 0.00 55 S 8.08 4.35 0.00 3.83 3.62 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 0.00 0.00 0.00 0.00 56 G 9.46 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 4.79 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 1.18 0.00 0.00 58 V 8.34 4.92 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 0.72 0.00 0.00 0.95 0.00 0.00 59 D 9.65 4.92 0.00 2.81 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 60 Q 8.39 5.15 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 61 S 8.45 4.22 0.00 4.08 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 62 D 8.16 4.66 0.00 2.74 2.78 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 63 Q 7.78 4.58 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 64 S 8.72 4.65 0.00 3.97 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 65 F 8.44 4.23 0.00 2.97 3.13 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 66 L 9.02 4.30 0.00 1.72 1.62 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.77 4.65 0.00 2.89 2.67 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 0.00 0.00 0.00 0.00 68 D 8.65 4.44 0.00 2.88 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 69 D 8.04 4.53 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.94 4.11 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 71 I 7.77 3.74 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 1.57 0.73 0.94 0.00 0.00 72 E 7.73 3.96 0.00 1.95 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 2.35 2.34 0.00 73 A 7.83 4.22 1.51 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 0.00 0.00 0.00 74 G 8.27 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 75 Y 7.58 4.68 0.00 2.98 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 76 V 8.57 4.64 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 0.97 0.00 0.00 0.94 0.00 0.00 77 L 8.95 4.86 0.00 1.62 1.57 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.38 3.99 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 1.26 0.00 0.00 79 C 8.15 4.00 0.00 2.90 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 80 V 7.59 3.15 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 0.58 0.00 0.00 0.87 0.00 0.00 81 A 7.64 4.87 1.26 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 0.00 0.00 0.00 82 Y 8.75 5.06 0.00 2.98 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 83 P 0.00 4.90 0.00 2.14 2.12 0.00 3.98 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 84 T 8.55 4.48 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 1.23 0.00 0.00 85 S 6.96 3.44 0.00 3.65 3.59 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 86 D 8.52 4.82 0.00 2.64 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 87 C 9.43 4.98 0.00 2.99 2.93 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 88 V 8.98 4.87 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 1.05 0.00 0.00 0.93 0.00 0.00 89 I 8.73 5.01 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 1.22 0.54 0.97 0.00 0.00 90 E 9.34 4.76 0.00 1.87 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 2.31 2.24 0.00 91 T 8.64 4.40 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 1.24 0.00 0.00 92 H 8.22 4.01 0.00 3.23 3.39 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.97 4.59 0.00 1.99 2.03 0.00 1.95 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.56 7.81 94 E 8.50 4.10 0.00 2.08 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 2.37 2.30 0.00 95 E 8.09 4.11 0.00 2.12 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 0.00 2.29 2.34 0.00 96 E 7.79 4.06 0.00 2.26 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 2.43 2.38 0.00 97 L 7.64 4.20 0.00 1.68 1.61 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.