NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4743 8.2893 120.3493 55.5897 33.5361 175.8140 2 T 4.1572 8.6567 117.2508 59.8771 71.4471 172.5414 3 E 3.9147 8.6979 120.9661 59.3688 30.0855 179.5448 4 L 3.9986 7.8294 119.9301 58.1770 42.1967 178.5580 5 E 4.0282 8.3628 118.6175 59.6351 29.2593 179.4973 6 T 3.8721 8.0725 115.6948 66.4547 68.6054 176.5754 7 A 4.0068 8.0929 122.6968 55.4928 18.5636 179.5963 8 M 4.1917 8.2503 117.3472 58.5908 31.9554 179.3221 9 G 3.6601 8.5327 106.2192 47.8688 0.0000 175.4809 10 M 4.1221 8.3300 120.7352 58.4819 32.1341 178.4766 11 I 3.9763 7.9061 119.9812 64.4287 37.3431 178.3827 12 I 3.8113 7.8877 120.3965 64.2716 36.8629 177.9223 13 D 4.3478 8.4200 119.1610 57.3615 40.8949 178.2927 14 V 3.7452 7.9541 117.4442 66.1921 31.9494 177.1592 15 F 4.0156 8.7411 120.6786 61.5408 38.9981 177.3213 16 S 4.3076 8.1906 113.5024 60.9044 62.8111 176.3190 17 R 3.8730 7.9301 120.4988 57.9981 29.7861 177.2100 18 Y 4.4930 7.5237 113.7977 57.2212 39.9986 176.7813 19 S 4.3626 7.6777 114.2299 58.6969 63.4575 174.9391 20 G 4.0579 7.5631 108.2155 44.8405 0.0000 174.4082 21 S 4.3910 8.0161 115.3686 59.8404 63.8780 173.9369 22 E 4.6248 8.8649 117.5164 55.9293 32.7763 177.1254 23 G 3.6775 8.6136 108.5083 45.9234 0.0000 173.0995 24 S 4.1609 8.4845 115.2831 58.9050 62.8283 175.7142 25 T 4.4275 8.3883 115.3386 62.4590 69.0079 174.8846 26 Q 4.7049 8.2105 120.8113 56.0422 29.3277 174.8781 27 T 5.1107 7.5811 107.6003 59.9767 72.3250 172.8738 28 L 4.6446 8.8988 122.5130 53.4121 43.2955 177.4771 29 T 4.4891 8.5228 114.9769 60.4417 71.9043 175.5104 30 K 4.0181 8.5001 120.3869 59.5821 32.1977 178.9219 31 G 3.5545 7.9598 105.6298 47.8485 0.0000 175.4530 32 E 4.0127 8.0045 120.8715 58.8904 29.3759 179.1717 33 L 3.8595 8.0202 120.4573 57.8666 42.1506 178.7704 34 K 3.8312 8.1892 119.7328 59.5950 32.1306 178.8675 35 V 3.5672 7.6380 117.9365 65.8989 31.5313 177.5261 36 L 2.5655 8.0528 120.4421 58.1097 41.7735 178.9339 37 M 4.0381 8.2145 118.7441 58.5495 31.7045 178.6892 38 E 4.0353 8.0138 117.4682 59.0956 29.6470 179.0489 39 K 4.2456 7.9615 117.5729 58.3244 32.5292 178.1724 40 E 4.5313 8.4571 117.3720 56.3293 31.8064 176.2538 41 L 4.9019 7.8470 118.2317 52.6203 42.4256 174.8267 42 P 4.4498 0.0000 0.0000 64.4040 31.9513 177.3392 43 G 4.0305 8.9116 108.9048 45.7147 0.0000 174.4707 44 F 4.2242 8.1513 121.5640 61.0610 39.8861 175.0149 45 L 4.3840 7.6520 120.6147 54.1469 42.9326 174.7937 *52 D 4.5297 8.0346 116.0713 54.6574 43.4259 177.0848 53 A 3.9765 7.9915 119.7971 55.8022 18.4326 179.8722 54 V 3.5084 7.7139 115.8130 66.1791 31.7332 177.6479 55 D 4.3014 8.0036 117.3630 57.2285 41.1585 178.1773 56 K 3.9984 8.0853 119.1832 59.1267 32.0274 179.0705 57 L 3.8822 8.0958 120.7888 58.0275 41.9512 178.7267 58 L 3.8869 7.9775 120.2552 58.2653 41.8074 179.1369 59 K 3.9577 7.8430 117.0525 59.4801 31.9685 178.8235 60 D 4.4838 7.9094 118.6414 57.2692 40.8476 178.3295 61 L 4.4336 7.7889 118.2736 56.0460 42.0158 176.2345 62 D 4.4541 8.1397 117.7812 54.5815 40.1822 175.3985 63 A 4.2524 9.1136 131.1067 53.4462 19.0022 177.7154 64 N 4.7540 8.4700 110.9056 51.9956 37.7836 174.9117 65 G 3.8984 7.8074 105.8131 47.1136 0.0000 174.2114 66 D 4.5403 8.6450 116.2017 52.2275 39.7987 176.1973 67 A 3.7788 8.8467 121.3166 53.1788 16.6036 177.3746 68 Q 4.7776 8.2262 115.4980 55.6687 33.6152 174.8285 69 V 4.6337 8.9467 121.7924 61.5746 33.4964 175.2785 70 D 5.1242 9.4152 129.1866 52.2039 41.8755 177.3015 71 F 3.2719 8.7474 119.1211 61.2597 39.2481 176.8665 72 S 4.0565 8.1704 114.2578 61.7706 62.7946 176.4449 73 E 3.9836 8.6371 121.1619 59.2486 29.1563 179.2635 74 F 4.2312 8.3815 120.8397 61.4504 39.4959 177.1574 75 I 3.1847 7.5696 118.4837 63.5690 37.6179 178.0269 76 V 3.4809 7.4789 119.0702 65.6399 31.3330 177.7912 77 F 4.1809 7.9342 120.0079 61.2979 39.2537 177.1913 78 V 2.9437 7.3642 117.6277 65.6992 31.1852 177.8356 79 A 3.8414 7.9612 120.3166 54.9139 18.1210 179.4389 80 A 3.8487 7.8163 119.1983 55.3735 18.5217 179.8636 81 I 3.5451 7.2942 118.1863 64.8467 37.1348 178.8607 82 T 3.8214 7.7915 116.4603 66.6598 68.2215 176.6943 83 S 4.1018 8.5824 115.2176 61.3247 62.5032 176.0639 84 A 4.0161 8.3324 123.7925 55.2094 17.9382 179.4552 85 C 4.1114 8.0888 115.2353 63.3621 28.2775 175.8402 86 H 4.2373 8.3775 119.8359 59.1460 29.4793 177.2010 87 K 4.0048 8.4208 121.6883 59.4641 31.9777 178.2409 88 Y 3.7836 7.8708 119.6231 60.7188 38.5605 177.9720 89 F 4.2224 7.8441 118.2084 59.7293 38.7979 177.5076 90 E 3.9372 7.8985 118.8958 59.2327 29.6012 178.6618 91 K 4.0385 7.9182 118.2148 59.1772 31.9466 179.1772 92 A 4.0239 7.6770 120.0743 54.4273 18.2455 179.2171 93 G 3.7475 7.3837 101.5085 45.2483 0.0000 173.4467 94 L 4.0937 7.5026 128.2588 55.7085 43.1661 173.6920 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 8.29 4.47 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 8.66 4.16 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 1.27 0.00 0.00 3 E 8.70 3.91 0.00 2.06 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 2.38 2.37 0.00 4 L 7.83 4.00 0.00 1.80 1.65 0.93 0.99 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 5 E 8.36 4.03 0.00 2.07 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 2.33 2.36 0.00 6 T 8.07 3.87 4.42 0.00 0.00 0.00 0.00 0.00 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 7 A 8.09 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 8.25 4.19 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 9 G 8.53 3.66 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 0.00 0.00 0.00 10 M 8.33 4.12 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 11 I 7.91 3.98 2.09 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 1.60 0.77 1.20 0.00 0.00 12 I 7.89 3.81 1.99 0.00 0.00 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 0.79 0.62 0.78 0.00 0.00 13 D 8.42 4.35 0.00 2.94 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 14 V 7.95 3.75 2.51 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 1.12 0.00 0.00 1.12 0.00 0.00 15 F 8.74 4.02 0.00 3.17 3.33 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 0.00 0.00 0.00 0.00 16 S 8.19 4.31 0.00 4.10 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 17 R 7.93 3.87 0.00 1.64 1.40 0.00 3.14 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 18 Y 7.52 4.49 0.00 2.72 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 19 S 7.68 4.36 0.00 3.86 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 20 G 7.56 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.02 4.39 0.00 3.96 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 22 E 8.86 4.62 0.00 2.03 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 2.20 2.23 0.00 23 G 8.61 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 0.00 0.00 0.00 24 S 8.48 4.16 0.00 3.88 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 25 T 8.39 4.43 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 26 Q 8.21 4.70 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 27 T 7.58 5.11 4.43 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 1.31 0.00 0.00 28 L 8.90 4.64 0.00 1.63 1.51 0.72 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.52 4.49 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 1.20 0.00 0.00 30 K 8.50 4.02 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 31 G 7.96 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 4.01 0.00 2.05 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 0.00 2.31 2.29 0.00 33 L 8.02 3.86 0.00 1.80 1.80 0.87 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.19 3.83 0.00 1.92 1.99 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.46 7.81 35 V 7.64 3.57 2.31 0.00 0.00 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 1.00 0.00 0.00 36 L 8.05 2.57 0.00 1.33 1.54 0.64 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 37 M 8.21 4.04 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 38 E 8.01 4.04 0.00 1.97 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 2.36 2.54 0.00 39 K 7.96 4.25 0.00 1.86 2.00 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.83 7.81 40 E 8.46 4.53 0.00 1.91 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 2.07 2.41 0.00 41 L 7.85 4.90 0.00 1.65 1.55 0.67 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.45 0.00 2.21 2.29 0.00 3.91 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 G 8.91 4.03 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 0.00 0.00 0.00 44 F 8.15 4.22 0.00 3.10 3.19 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 0.00 0.00 0.00 0.00 45 L 7.65 4.38 0.00 1.75 1.66 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *52 D 8.03 4.53 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.99 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.71 3.51 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 1.01 0.00 0.00 0.94 0.00 0.00 55 D 8.00 4.30 0.00 2.74 2.76 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 56 K 8.09 4.00 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.59 7.81 57 L 8.10 3.88 0.00 1.92 1.70 0.69 -0.05 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 58 L 7.98 3.89 0.00 1.71 1.77 0.95 0.56 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 59 K 7.84 3.96 0.00 1.93 1.86 0.00 2.23 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.54 7.81 60 D 7.91 4.48 0.00 2.81 2.72 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 61 L 7.79 4.43 0.00 1.56 1.68 0.49 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.14 4.45 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.11 4.25 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 64 N 8.47 4.75 0.00 2.83 2.91 0.00 0.00 6.02 7.00 0.00 0.00 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 G 7.81 3.90 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 0.00 0.00 0.00 66 D 8.65 4.54 0.00 2.79 2.79 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 67 A 8.85 3.78 1.37 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 68 Q 8.23 4.78 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 69 V 8.95 4.63 2.17 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 1.16 0.00 0.00 0.94 0.00 0.00 70 D 9.42 5.12 0.00 2.91 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 71 F 8.75 3.27 0.00 2.54 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 72 S 8.17 4.06 0.00 4.04 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 73 E 8.64 3.98 0.00 2.20 2.16 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 2.42 2.45 0.00 74 F 8.38 4.23 0.00 3.27 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 75 I 7.57 3.18 0.94 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 1.32 1.09 0.79 0.00 0.00 76 V 7.48 3.48 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 0.94 0.00 0.00 0.96 0.00 0.00 77 F 7.93 4.18 0.00 3.03 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 78 V 7.36 2.94 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 0.72 0.00 0.00 -0.01 0.00 0.00 79 A 7.96 3.84 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 80 A 7.82 3.85 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 81 I 7.29 3.55 1.57 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 0.44 0.15 0.78 0.00 0.00 82 T 7.79 3.82 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 1.19 0.00 0.00 83 S 8.58 4.10 0.00 3.86 3.98 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 84 A 8.33 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 4.11 0.00 3.27 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 86 H 8.38 4.24 0.00 3.28 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.42 4.00 0.00 1.98 1.99 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 88 Y 7.87 3.78 0.00 3.04 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.84 4.22 0.00 3.10 3.08 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 0.00 90 E 7.90 3.94 0.00 2.12 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 0.00 2.32 2.36 0.00 91 K 7.92 4.04 0.00 1.70 1.68 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.50 7.81 92 A 7.68 4.02 1.17 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 0.00 0.00 93 G 7.38 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 94 L 7.50 4.09 0.00 1.47 1.45 0.91 1.14 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 * Residues marked with a * may have inaccurate shift predictions.