NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 Q 4.1969 8.3444 119.1281 54.1194 30.5320 174.3568 10 F 4.1950 8.0764 119.0345 56.9368 39.6503 173.7195 11 I 4.1629 7.4201 130.9578 59.8593 38.9104 176.4410 12 V 3.6719 8.3343 126.4165 65.0245 31.2418 178.0163 13 D 4.3401 8.0403 118.9873 57.0386 40.7320 178.2082 14 D 4.2994 7.8514 119.0220 57.5173 40.9122 178.9551 15 V 3.4962 7.3101 112.7326 64.4052 31.5536 178.5410 16 S 4.0807 8.1886 112.9539 61.2972 62.1781 176.2393 17 K 3.9263 7.7649 122.3127 59.7577 31.8649 178.9049 18 T 3.8036 7.6426 115.7053 66.7192 68.2685 176.3574 19 I 3.6177 8.0324 121.9557 64.4601 37.1492 178.3020 20 K 3.8215 8.1431 118.8703 59.7895 31.9979 179.2166 21 E 3.8810 8.2085 118.2056 59.4132 29.3279 179.1920 22 A 3.9963 8.1489 120.9772 55.1164 18.2702 179.8091 23 I 3.2148 7.7120 118.4532 64.2876 37.2219 178.1338 24 E 3.7469 7.9277 119.9983 59.7464 29.2644 178.8987 25 T 3.7912 8.0001 114.5437 66.5935 68.4868 176.1635 26 T 4.0411 7.2588 116.2580 65.0921 69.4941 175.8476 27 I 3.2886 7.3777 111.9541 59.6223 39.0303 175.2361 28 G 3.7844 7.2063 110.9512 47.9163 0.0000 173.4828 29 G 3.9003 9.5202 113.4092 45.5930 0.0000 171.8098 30 N 5.0706 7.8768 114.7103 51.0486 42.4520 173.4068 31 A 4.9370 8.2924 121.3764 49.9623 21.8245 175.8285 32 Y 4.2176 9.1524 121.2780 58.5032 39.3767 176.3206 33 Q 4.2369 7.5835 125.3243 55.3772 30.4926 175.4359 34 H 3.6735 7.9292 120.9359 60.3574 31.0953 176.5862 35 D 4.5626 7.4692 118.7633 53.2632 39.7523 177.1923 36 K 4.0741 7.5606 118.2005 56.4279 36.0384 179.1629 37 V 3.1973 6.8290 118.6873 65.7421 31.1650 177.7260 38 N 4.2797 7.7786 115.8040 56.1839 38.3842 176.7230 39 N 4.4022 7.7520 118.1479 56.1858 39.0438 176.9548 40 W 4.3904 7.7327 120.3483 60.0410 29.2145 178.5351 41 T 4.0271 8.3658 110.0819 64.8548 67.9864 176.6172 42 G 3.6419 7.8295 107.1213 47.5191 0.0000 175.7114 43 Q 3.9846 8.0986 120.3986 58.8380 28.8334 178.7885 44 V 3.3713 7.9592 119.3546 66.1787 31.3479 178.2943 45 V 3.5742 7.8042 117.6693 65.9981 31.4573 177.9048 46 E 3.9342 8.4923 118.7115 59.6151 29.3661 178.2805 47 N 4.1542 8.9196 117.9175 57.3061 38.8861 176.2768 48 C 3.9672 8.1462 117.3722 62.9733 28.5084 176.2074 49 L 3.9447 8.1168 121.7299 58.2173 41.0715 179.1877 50 T 3.8143 8.4332 116.1051 66.6451 68.2440 176.6830 51 V 3.5601 7.3377 118.4797 66.1910 31.5886 177.8164 52 L 3.8425 7.5938 117.6603 57.4819 41.3917 179.0126 53 T 4.2712 7.5202 108.0075 63.6592 69.0924 176.4912 54 K 3.9129 7.4376 120.2875 59.4201 33.1864 178.8514 55 E 4.2051 8.4564 120.5883 60.1150 28.7397 177.5903 56 Q 3.9782 6.8858 121.1414 56.7885 28.1888 176.0091 57 K 4.5527 8.6503 122.4510 54.5416 33.8905 175.3927 58 P 4.9287 0.0000 0.0000 63.8905 31.6416 175.1425 59 Y 4.6375 8.3192 117.4644 57.3976 40.2242 175.4767 60 K 4.6605 9.1907 122.2349 54.9469 35.0432 174.9824 61 Y 6.0730 8.4979 119.9032 55.4034 41.7779 174.9603 62 I 4.7630 8.7655 122.4715 59.6043 40.9458 174.3356 63 V 5.1555 8.7706 126.7661 61.2468 33.9139 174.5381 64 T 4.8784 9.0536 117.5143 60.0064 71.8284 172.8560 65 A 5.5340 8.2426 124.4286 49.3857 23.1227 174.2482 *67 I 4.7934 8.0224 118.2749 61.5657 38.2629 175.1346 *69 Q 3.8677 8.2820 120.7970 55.5081 29.2236 174.6732 70 K 3.9458 8.8608 126.2197 57.0343 32.2343 177.5475 71 N 4.6467 8.8215 123.7061 52.7623 39.0305 175.3413 72 G 3.9654 8.5536 102.4688 45.4302 0.0000 174.5174 73 A 4.2761 7.5836 122.3036 51.4490 19.2103 177.9474 74 G 3.9914 8.3006 109.0620 44.8288 0.0000 173.4359 75 L 4.5783 7.9697 122.0833 53.6116 45.0871 174.7115 76 H 4.8202 8.7224 124.7860 54.4796 32.9064 172.1215 77 T 4.7887 8.1948 114.8201 60.0052 71.7475 172.8372 78 A 4.7528 8.2130 123.8334 51.2897 22.1646 175.7454 79 S 4.5782 8.0818 113.6538 57.8787 65.5448 173.2000 80 S 4.3418 7.8130 114.5991 58.3724 64.7408 173.1235 81 C 4.4260 7.6965 119.2874 58.2879 31.7196 173.8821 82 Y 4.6262 7.9302 121.1338 55.3618 39.1038 174.2305 83 W 4.6801 7.8780 125.5302 55.1006 30.1854 174.9477 84 N 4.6263 8.5981 118.6838 52.1944 38.0390 176.3522 85 N 4.1968 8.6450 124.1816 55.7857 38.8402 176.2627 86 D 4.5702 8.1712 117.0729 55.4204 41.5625 176.8511 87 T 4.3966 7.6882 106.4904 62.9899 70.5592 174.2467 88 D 4.5456 6.9565 121.5084 52.9290 41.7063 176.0714 89 G 3.7951 7.0239 107.8794 45.6098 0.0000 170.6588 90 S 4.9898 8.2106 111.8014 57.8666 65.7622 174.2683 91 C 4.8017 8.8343 120.7748 58.3012 34.8589 172.5614 92 T 5.0957 8.6674 122.3606 61.6930 71.0753 173.5450 93 V 4.4681 8.8754 125.9002 61.1753 34.3438 174.5802 94 R 4.9413 8.7084 126.5950 55.4798 31.5993 175.4324 95 W 5.2605 8.7914 131.1782 56.7159 34.6823 172.8736 96 E 5.1086 7.0138 119.6687 56.2192 31.3377 174.7829 97 N 4.5596 8.0407 116.7907 51.5390 40.1964 173.3307 98 K 3.8922 8.8775 116.4805 59.9807 32.1669 177.8274 99 T 4.3130 7.7758 105.6593 61.8449 69.4467 172.9504 *101 Y 5.1602 7.4349 119.3476 58.6035 39.9116 173.4809 102 C 5.2791 9.7117 122.0186 57.9553 35.7486 172.8305 103 I 5.1788 8.4218 124.7954 59.7791 40.9098 174.1519 104 V 4.8081 8.6674 126.5386 61.2522 34.9389 174.4333 105 S 5.1426 9.1769 121.6901 56.8730 67.6270 173.1573 106 V 5.0487 8.2591 121.9774 61.2685 35.1695 174.1368 107 F 5.3944 9.4595 125.1922 55.6567 43.2316 174.0833 108 G 4.5666 9.1111 109.7880 44.4281 0.0000 171.5662 109 L 5.1467 8.8658 124.4805 52.7484 45.5045 176.9315 110 A 3.5523 8.5380 126.0153 51.2849 20.1842 177.7284 111 V 3.4906 7.3898 116.9430 63.6172 33.1113 171.7021 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 *9 Q 8.34 4.20 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 10 F 8.08 4.19 0.00 3.06 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 11 I 7.42 4.16 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 0.97 0.00 0.00 12 V 8.33 3.67 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 0.90 0.00 0.00 1.02 0.00 0.00 13 D 8.04 4.34 0.00 2.67 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 14 D 7.85 4.30 0.00 2.77 2.53 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 0.00 15 V 7.31 3.50 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 0.29 0.00 0.00 0.96 0.00 0.00 16 S 8.19 4.08 0.00 3.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 3.93 0.00 1.94 1.89 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.46 7.81 18 T 7.64 3.80 4.31 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 0.00 0.00 0.00 1.12 0.00 0.00 19 I 8.03 3.62 2.01 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 1.71 0.97 0.88 0.00 0.00 20 K 8.14 3.82 0.00 1.81 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.80 7.81 21 E 8.21 3.88 0.00 2.13 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 2.30 2.53 0.00 22 A 8.15 4.00 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 23 I 7.71 3.21 1.39 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 1.37 0.63 -0.53 0.00 0.00 24 E 7.93 3.75 0.00 2.20 1.89 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 2.35 2.44 0.00 25 T 8.00 3.79 4.14 0.00 0.00 0.00 0.00 0.00 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 26 T 7.26 4.04 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 1.06 0.00 0.00 27 I 7.38 3.29 1.29 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.16 0.22 0.00 0.00 28 G 7.21 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 0.00 0.00 0.00 29 G 9.52 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 30 N 7.88 5.07 0.00 2.30 2.76 0.00 0.00 6.63 7.03 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 31 A 8.29 4.94 1.32 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 0.00 0.00 32 Y 9.15 4.22 0.00 3.19 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 33 Q 7.58 4.24 0.00 1.71 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.36 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 34 H 7.93 3.67 0.00 3.30 3.19 0.00 5.90 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.47 4.56 0.00 2.66 2.62 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 36 K 7.56 4.07 0.00 0.92 0.74 0.00 1.76 0.00 0.00 1.46 0.00 0.00 2.74 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.06 1.04 7.81 37 V 6.83 3.20 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 1.27 0.00 0.00 0.29 0.00 0.00 38 N 7.78 4.28 0.00 2.63 2.78 0.00 0.00 6.79 6.92 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 39 N 7.75 4.40 0.00 2.71 2.75 0.00 0.00 7.24 7.95 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 40 W 7.73 4.39 0.00 3.59 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 41 T 8.37 4.03 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 1.36 0.00 0.00 42 G 7.83 3.64 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 0.00 0.00 0.00 43 Q 8.10 3.98 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.76 0.00 44 V 7.96 3.37 2.21 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 0.92 0.00 0.00 0.90 0.00 0.00 45 V 7.80 3.57 2.25 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 1.09 0.00 0.00 1.06 0.00 0.00 46 E 8.49 3.93 0.00 2.12 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 2.63 2.47 0.00 47 N 8.92 4.15 0.00 2.79 2.88 0.00 0.00 7.26 7.53 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 48 C 8.15 3.97 0.00 3.00 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 49 L 8.12 3.94 0.00 2.04 1.77 1.00 0.80 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 50 T 8.43 3.81 4.37 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 1.19 0.00 0.00 51 V 7.34 3.56 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 0.74 0.00 0.00 0.95 0.00 0.00 52 L 7.59 3.84 0.00 1.25 0.58 0.68 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.52 4.27 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 1.36 0.00 0.00 54 K 7.44 3.91 0.00 1.75 1.90 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.61 7.81 55 E 8.46 4.21 0.00 1.94 1.89 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 2.36 2.21 0.00 56 Q 6.89 3.98 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 57 K 8.65 4.55 0.00 1.98 1.78 0.00 1.69 0.00 0.00 1.47 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.79 7.81 58 P 0.00 4.93 0.00 2.13 2.30 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 59 Y 8.32 4.64 0.00 2.58 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.19 4.66 0.00 1.49 1.67 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.30 7.81 61 Y 8.50 6.07 0.00 2.95 2.92 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 8.77 4.76 2.16 0.00 0.00 0.85 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 0.89 1.04 0.00 0.00 63 V 8.77 5.16 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 0.88 0.00 0.00 1.02 0.00 0.00 64 T 9.05 4.88 4.33 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 1.35 0.00 0.00 65 A 8.24 5.53 1.23 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 0.00 0.00 *67 I 8.02 4.79 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 1.28 0.00 0.00 *69 Q 8.28 3.87 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 70 K 8.86 3.95 0.00 1.64 1.57 0.00 1.72 0.00 0.00 1.34 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.49 0.51 7.81 71 N 8.82 4.65 0.00 2.67 2.65 0.00 0.00 7.08 8.13 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 72 G 8.55 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 0.00 0.00 0.00 73 A 7.58 4.28 1.27 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 0.00 0.00 0.00 74 G 8.30 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 0.00 0.00 0.00 75 L 7.97 4.58 0.00 1.53 1.38 0.95 0.89 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 76 H 8.72 4.82 0.00 3.09 3.07 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.19 4.79 4.28 0.00 0.00 0.00 0.00 0.00 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 78 A 8.21 4.75 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 79 S 8.08 4.58 0.00 4.04 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 80 S 7.81 4.34 0.00 3.73 3.63 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 81 C 7.70 4.43 0.00 1.23 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 0.00 0.00 0.00 82 Y 7.93 4.63 0.00 2.73 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 83 W 7.88 4.68 0.00 3.46 2.97 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 84 N 8.60 4.63 0.00 2.62 2.66 0.00 0.00 7.64 6.53 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 85 N 8.64 4.20 0.00 2.78 2.91 0.00 0.00 7.17 8.06 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 86 D 8.17 4.57 0.00 2.79 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 87 T 7.69 4.40 4.14 0.00 0.00 0.00 0.00 0.00 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 88 D 6.96 4.55 0.00 1.58 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 0.00 0.00 0.00 0.00 89 G 7.02 3.80 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 0.00 0.00 0.00 90 S 8.21 4.99 0.00 3.56 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 91 C 8.83 4.80 0.00 3.12 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.67 5.10 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 1.27 0.00 0.00 93 V 8.88 4.47 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 1.09 0.00 0.00 0.95 0.00 0.00 94 R 8.71 4.94 0.00 1.79 1.88 0.00 3.27 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 95 W 8.79 5.26 0.00 3.41 3.02 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 0.00 0.00 0.00 96 E 7.01 5.11 0.00 1.84 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 97 N 8.04 4.56 0.00 2.65 2.37 0.00 0.00 6.08 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 98 K 8.88 3.89 0.00 1.75 1.91 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.40 7.81 99 T 7.78 4.31 4.36 0.00 0.00 0.00 0.00 0.00 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 *101 Y 7.43 5.16 0.00 3.07 2.95 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 0.00 102 C 9.71 5.28 0.00 3.13 3.02 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 0.00 0.00 0.00 103 I 8.42 5.18 1.94 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 1.28 0.81 0.95 0.00 0.00 104 V 8.67 4.81 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 1.08 0.00 0.00 0.91 0.00 0.00 105 S 9.18 5.14 0.00 3.82 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 5.05 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 1.21 0.00 0.00 0.94 0.00 0.00 107 F 9.46 5.39 0.00 3.14 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 0.00 108 G 9.11 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 0.00 109 L 8.87 5.15 0.00 1.50 1.41 1.07 0.78 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 0.00 110 A 8.54 3.55 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 3.49 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 0.65 0.00 0.00 0.81 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.