NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2243 8.3344 116.7848 58.3693 65.0318 173.9765 -7 D 5.3222 7.5200 124.8192 50.7293 40.6515 174.0492 -6 P 4.2044 0.0000 0.0000 65.2495 32.2697 177.6629 -5 S 5.2105 8.2127 111.7573 58.1123 62.9548 174.5130 -4 S 4.7301 8.6614 115.7361 58.2731 64.6094 175.9093 -3 I 4.3091 7.7719 122.8887 63.2437 37.7034 177.7502 -2 N 4.7551 7.6235 116.3144 52.9414 39.4269 176.6367 -1 G 4.0686 7.8783 102.6871 45.2617 0.0000 172.2051 -7 G 4.6422 7.5100 113.2192 41.6293 0.0000 172.6492 -6 I 3.9544 9.1650 128.6633 63.0495 38.9697 176.7629 -5 V 4.8605 7.9327 115.2573 62.0123 32.0548 176.2130 -4 V 4.3801 8.3814 119.2361 62.1731 33.7094 177.6093 -3 A 4.4591 8.0119 126.7887 54.6437 18.0034 179.1502 -2 M 4.4951 7.5035 117.2144 55.2414 33.4269 177.7367 -1 T 4.4586 7.6983 107.4871 61.9617 67.9601 172.0051 8 G 4.0537 8.4764 113.6254 44.3725 0.0000 172.1607 9 K 4.0536 8.5992 123.4629 56.4236 31.6265 177.1997 10 D 4.8112 8.9009 125.6108 54.7811 38.4812 173.1130 11 C 4.7300 7.3758 112.5349 57.4895 32.7615 172.5990 12 V 4.9609 7.8072 111.4636 59.9416 35.3250 174.5969 13 A 4.6939 8.3620 123.0937 50.3336 22.3009 175.4066 14 I 5.2144 8.1049 119.6030 59.5257 40.9803 173.9956 15 A 4.9845 8.5874 129.6142 50.5739 22.4857 174.2078 16 C 5.5648 8.3424 112.6467 57.1365 32.9783 173.1166 17 D 4.8072 8.5652 119.9961 52.7931 41.1626 175.8306 18 L 4.9841 8.2489 115.3072 53.6343 43.3342 176.8886 19 R 4.5082 8.0045 119.8975 56.4752 31.2256 175.9792 20 L 4.3068 8.7746 126.9924 54.2518 44.9876 174.4217 21 G 4.4863 8.2826 114.3195 44.6368 0.0000 171.5137 22 S 4.6651 8.5842 113.2366 56.9831 63.8784 175.7802 23 Q 3.7123 8.2223 130.0529 56.7757 26.7125 176.4068 24 S 4.2157 8.9440 121.7623 61.4965 63.4780 174.1805 25 L 4.0525 7.8541 124.1250 54.3769 42.1877 175.8708 26 G 4.0783 8.5561 115.6737 45.3219 0.0000 172.4168 27 V 4.1822 8.4580 121.5619 63.5126 33.8836 175.6829 28 S 4.7935 8.3793 113.4206 56.4571 65.1988 173.3231 29 N 5.3729 8.7544 122.7746 52.7420 37.4945 174.6736 30 K 4.5887 8.0628 114.1425 57.1380 34.4486 177.2754 31 F 4.5259 8.5646 125.7039 57.4773 38.5927 174.1685 32 E 4.0245 8.1717 123.5274 55.5551 30.4415 176.4917 33 K 4.2457 8.3298 120.5080 55.9362 34.0656 175.0041 34 I 4.7373 6.9818 120.9320 59.4452 39.5466 174.7486 35 F 5.0047 9.3103 124.7649 56.0251 43.7966 173.2975 36 H 4.9154 7.4220 113.0959 54.3978 31.3868 172.5687 *38 Y 4.9465 7.9391 116.6987 58.7451 39.2216 175.0289 39 G 3.9161 8.2361 116.2054 47.3872 0.0000 173.3467 40 H 4.6427 8.9082 120.6677 55.1217 29.1005 174.4973 41 V 4.1959 7.4333 121.8841 61.8384 32.9522 174.5144 42 F 5.0124 9.1594 126.8048 55.8037 41.7231 174.6758 43 L 5.2846 9.5456 124.8898 53.5690 45.4145 175.1178 44 G 5.0336 9.3240 113.9139 45.7169 0.0000 172.3017 45 I 5.2593 8.4688 123.1697 59.6040 40.4908 174.9930 46 T 4.5546 8.7220 117.2232 60.4227 71.7455 172.6810 47 G 3.7856 8.8213 106.2589 44.0865 0.0000 173.0775 48 L 4.1169 8.9877 124.2570 54.9901 42.6552 178.4492 49 A 4.1631 10.6000 128.6267 55.9716 18.2156 179.1062 50 T 3.8285 7.9840 110.6875 65.3344 67.3837 175.7487 51 D 4.4205 8.1331 120.4057 56.7951 41.1326 178.5149 52 V 3.6814 7.9933 118.9330 66.3906 31.5342 178.3372 53 T 3.8248 8.2717 115.3179 66.9850 68.3086 176.7583 54 T 3.7607 7.8245 117.5445 66.7573 68.4175 176.5996 55 L 3.3404 8.1202 120.9310 57.4345 41.5790 179.0734 56 N 4.3232 7.5642 117.8217 56.2081 38.7897 176.7729 57 E 3.9576 8.0183 119.9027 59.4188 29.3873 179.1105 58 M 3.7185 7.8377 118.4120 58.7133 32.2632 178.4599 59 F 4.3050 7.9016 118.0575 60.0190 38.9141 177.8607 60 R 3.8157 7.9950 118.8042 59.4423 30.0524 177.5805 61 Y 4.0356 7.8889 119.3126 60.9596 38.7762 178.5563 62 K 4.2516 8.5954 119.7495 59.7631 32.2217 179.6192 63 T 4.0113 8.4031 110.4068 64.5019 68.6000 176.5328 64 N 4.3376 8.3496 119.6215 56.4401 38.7890 177.3332 65 L 4.0221 7.8064 119.7821 57.7744 41.6209 179.0814 66 Y 3.9885 8.1433 119.6194 60.6745 38.7980 178.0816 67 K 4.6011 8.3623 121.8959 59.0841 32.0430 178.7697 68 L 4.0281 7.7748 118.5823 57.1969 41.5446 179.1530 69 K 4.1453 7.6231 117.1879 59.1436 32.5658 178.9428 70 E 3.8789 8.1740 117.2069 56.6482 29.6331 176.6526 71 E 3.8826 7.9750 117.4827 56.5987 27.6547 174.0398 72 R 4.4437 7.3004 110.8919 55.3981 31.8939 173.3372 73 A 4.4933 8.4961 122.1173 51.2789 19.4066 177.6212 74 I 3.7504 8.2272 122.0682 61.1221 38.5480 175.6798 75 E 4.6598 8.3119 124.7547 53.9799 32.7221 175.3357 76 P 4.3581 0.0000 0.0000 66.2066 31.2947 178.5943 77 E 3.9701 8.2340 116.2799 59.8999 29.4521 179.5599 78 T 3.8662 7.8593 115.0031 66.5328 68.6173 176.2564 79 F 4.0412 8.4754 122.8806 61.5897 39.3446 176.9330 80 T 3.6472 8.0733 115.4488 66.9804 68.2078 176.3642 81 Q 3.9042 7.7190 119.5195 58.8975 28.7549 178.6694 82 L 3.8719 7.7661 121.3260 57.9238 41.9559 179.2778 83 V 3.3587 7.6070 118.6123 65.7656 31.4349 177.8768 84 S 4.0656 8.0015 113.1477 61.5594 62.1587 176.3589 85 S 4.1941 8.2879 117.1096 61.5681 62.4620 176.5734 86 S 4.1725 8.0005 118.0111 61.3058 62.8617 176.3611 87 L 4.2279 8.3094 121.9852 58.0140 41.4361 178.9213 88 Y 3.8657 8.2103 119.1129 60.0805 38.4334 177.3825 89 E 4.0192 7.8927 119.6737 58.0597 29.9673 177.0653 90 R 4.4246 7.6381 118.4314 55.1819 30.9921 178.0289 91 R 3.2130 7.2433 120.5426 59.0457 29.7512 177.2178 92 F 4.8838 7.1211 113.5722 56.8790 39.8604 176.0614 93 G 4.0992 7.4187 102.7646 44.3057 0.0000 172.3364 94 P 4.0383 0.0000 0.0000 62.4955 32.3944 175.6703 95 Y 4.3343 7.7568 116.7945 57.5203 39.0407 176.9722 96 F 4.6685 8.9659 125.3036 56.4525 37.3506 174.6882 97 V 5.0090 7.8101 113.4895 59.5398 36.4861 176.4435 98 G 4.1624 9.3589 109.1825 43.6566 0.0000 170.3377 99 P 5.0322 0.0000 0.0000 62.8969 32.8869 175.9252 100 V 4.4222 8.8026 121.8626 61.6376 34.8988 173.6880 101 V 5.0606 8.6197 127.4924 61.2960 33.5625 174.5112 102 A 4.7737 9.2819 128.0681 49.7908 22.9221 175.4432 103 G 4.4204 7.8465 108.0015 46.7111 0.0000 171.6682 104 I 4.5737 8.0127 120.4765 58.9131 39.2399 175.7417 105 N 4.9480 8.7761 121.9367 53.4591 38.7438 174.2819 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 -8 S 8.33 4.22 0.00 3.84 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 -7 D 7.52 5.32 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 P 0.00 4.20 0.00 1.15 1.47 0.00 3.24 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.63 0.00 -5 S 8.21 5.21 0.00 4.06 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 -4 S 8.66 4.73 0.00 3.75 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 -3 I 7.77 4.31 1.84 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 1.38 1.04 0.87 0.00 0.00 -2 N 7.62 4.76 0.00 2.76 2.74 0.00 0.00 7.60 7.60 0.00 0.00 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 G 7.88 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 -7 G 7.51 4.64 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 -6 I 9.17 3.95 1.87 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 1.41 0.71 0.91 0.00 0.00 -5 V 7.93 4.86 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 0.58 0.00 0.00 0.93 0.00 0.00 -4 V 8.38 4.38 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 1.02 0.00 0.00 0.93 0.00 0.00 -3 A 8.01 4.46 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 -2 M 7.50 4.50 0.00 2.04 2.00 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 2.65 2.48 0.00 -1 T 7.70 4.46 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 1.21 0.00 0.00 8 G 8.48 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 9 K 8.60 4.05 0.00 1.84 1.71 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 10 D 8.90 4.81 0.00 2.86 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 11 C 7.38 4.73 0.00 2.89 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 12 V 7.81 4.96 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 0.72 0.00 0.00 0.88 0.00 0.00 13 A 8.36 4.69 1.10 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 0.00 0.00 14 I 8.10 5.21 1.81 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 1.26 1.09 0.77 0.00 0.00 15 A 8.59 4.98 1.15 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 16 C 8.34 5.56 0.00 3.02 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 17 D 8.57 4.81 0.00 2.72 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 18 L 8.25 4.98 0.00 1.62 1.82 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.00 4.51 0.00 1.85 1.86 0.00 3.23 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.77 4.31 0.00 1.60 1.54 0.74 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.28 4.49 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 0.00 22 S 8.58 4.67 0.00 3.70 3.70 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 23 Q 8.22 3.71 0.00 2.24 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 24 S 8.94 4.22 0.00 3.97 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 25 L 7.85 4.05 0.00 1.73 1.75 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.56 4.08 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 0.00 0.00 0.00 27 V 8.46 4.18 2.18 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 0.82 0.00 0.00 0.96 0.00 0.00 28 S 8.38 4.79 0.00 3.85 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 29 N 8.75 5.37 0.00 2.85 2.85 0.00 0.00 5.86 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 30 K 8.06 4.59 0.00 1.70 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.39 7.81 31 F 8.56 4.53 0.00 3.18 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 32 E 8.17 4.02 0.00 1.61 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 33 K 8.33 4.25 0.00 1.61 1.96 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.53 7.81 34 I 6.98 4.74 1.72 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 1.22 0.81 1.00 0.00 0.00 35 F 9.31 5.00 0.00 2.72 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 36 H 7.42 4.92 0.00 1.91 1.81 0.00 5.85 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 *38 Y 7.94 4.95 0.00 2.74 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 39 G 8.24 3.92 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 0.00 0.00 0.00 40 H 8.91 4.64 0.00 3.34 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.43 4.20 1.79 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 0.69 0.00 0.00 0.70 0.00 0.00 42 F 9.16 5.01 0.00 3.16 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 43 L 9.55 5.28 0.00 2.02 1.74 1.12 0.83 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 44 G 9.32 5.03 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 45 I 8.47 5.26 2.13 0.00 0.00 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 1.61 0.81 1.05 0.00 0.00 46 T 8.72 4.55 4.32 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 1.28 0.00 0.00 47 G 8.82 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 48 L 8.99 4.12 0.00 1.99 1.76 0.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.60 4.16 1.06 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 50 T 7.98 3.83 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 1.29 0.00 0.00 51 D 8.13 4.42 0.00 3.06 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 52 V 7.99 3.68 2.60 0.00 0.00 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 0.00 0.00 1.25 0.00 0.00 53 T 8.27 3.82 4.45 0.00 0.00 0.00 0.00 0.00 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 54 T 7.82 3.76 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 1.01 0.00 0.00 55 L 8.12 3.34 0.00 1.54 1.57 0.90 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.56 4.32 0.00 1.58 2.42 0.00 0.00 6.82 8.41 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 57 E 8.02 3.96 0.00 2.11 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 2.31 2.36 0.00 58 M 7.84 3.72 0.00 1.48 1.63 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 59 F 7.90 4.30 0.00 2.85 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.82 0.00 2.19 2.12 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 61 Y 7.89 4.04 0.00 3.17 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 62 K 8.60 4.25 0.00 1.97 1.98 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.55 1.62 7.81 63 T 8.40 4.01 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 0.98 0.00 0.00 64 N 8.35 4.34 0.00 2.97 2.86 0.00 0.00 6.88 6.35 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 65 L 7.81 4.02 0.00 1.80 1.76 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.14 3.99 0.00 3.18 3.06 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 67 K 8.36 4.60 0.00 2.15 1.97 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.57 7.81 68 L 7.77 4.03 0.00 1.85 1.70 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.62 4.15 0.00 1.62 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.67 7.81 70 E 8.17 3.88 0.00 1.54 1.72 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 1.63 1.47 0.00 71 E 7.97 3.88 0.00 2.10 2.01 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 2.23 2.19 0.00 72 R 7.30 4.44 0.00 1.98 2.00 0.00 3.02 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 73 A 8.50 4.49 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 74 I 8.23 3.75 1.13 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.10 0.67 0.00 0.00 75 E 8.31 4.66 0.00 2.05 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 2.40 2.38 0.00 76 P 0.00 4.36 0.00 2.19 2.18 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 77 E 8.23 3.97 0.00 2.07 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 0.00 2.42 2.49 0.00 78 T 7.86 3.87 4.32 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 1.22 0.00 0.00 79 F 8.48 4.04 0.00 3.01 3.17 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 80 T 8.07 3.65 4.40 0.00 0.00 0.00 0.00 0.00 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 81 Q 7.72 3.90 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 82 L 7.77 3.87 0.00 1.69 1.54 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.61 3.36 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 0.86 0.00 0.00 -0.63 0.00 0.00 84 S 8.00 4.07 0.00 3.87 3.92 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 85 S 8.29 4.19 0.00 4.09 4.10 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 86 S 8.00 4.17 0.00 4.26 4.01 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 87 L 8.31 4.23 0.00 1.88 1.75 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.21 3.87 0.00 3.16 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 89 E 7.89 4.02 0.00 2.13 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 2.28 2.34 0.00 90 R 7.64 4.42 0.00 1.67 1.65 0.00 2.92 0.00 0.00 2.83 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.01 0.00 91 R 7.24 3.21 0.00 0.67 0.98 0.00 2.64 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.12 4.88 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 93 G 7.42 4.10 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 0.00 0.00 0.00 94 P 0.00 4.04 0.00 1.82 1.80 0.00 3.58 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 1.39 1.78 0.00 95 Y 7.76 4.33 0.00 2.91 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 96 F 8.97 4.67 0.00 3.09 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 97 V 7.81 5.01 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 0.79 0.00 0.00 1.02 0.00 0.00 98 G 9.36 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 0.00 0.00 0.00 0.00 99 P 0.00 5.03 0.00 1.98 2.07 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 100 V 8.80 4.42 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 1.04 0.00 0.00 0.97 0.00 0.00 101 V 8.62 5.06 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 1.07 0.00 0.00 102 A 9.28 4.77 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 0.00 103 G 7.85 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 0.00 0.00 0.00 0.00 104 I 8.01 4.57 1.91 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 1.30 0.71 0.92 0.00 0.00 105 N 8.78 4.95 0.00 2.71 2.73 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.