NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3821 0.0000 0.0000 62.2680 31.9690 177.0973 3 K 4.2181 8.8595 124.1598 54.9142 30.0168 173.5039 4 K 4.4382 7.6922 122.6172 52.8970 35.1789 173.9391 5 V 4.9135 8.2889 126.3449 61.4627 34.3446 174.0205 6 L 4.9797 8.8621 126.7773 52.9723 46.1595 175.1810 7 T 4.8546 8.1204 109.5103 60.2592 71.3731 173.2467 8 G 4.5505 8.3984 109.8820 46.0569 0.0000 172.0011 9 V 4.2276 8.1385 119.7843 62.3270 33.4236 174.8009 10 V 4.4852 8.6143 127.5705 61.6931 32.7187 176.5788 11 V 4.7862 9.1097 124.1979 59.5999 32.1060 176.4093 12 S 5.5316 7.3106 123.6347 58.7620 63.7756 176.0427 13 D 5.2434 7.9628 126.8466 52.9547 39.7671 177.9443 14 K 4.1197 7.5971 121.6934 60.0726 32.1674 177.6875 15 M 4.3240 7.1467 114.3218 54.3638 32.7980 176.2175 16 Q 4.1207 8.4380 120.1250 56.2711 28.7067 176.4014 17 K 4.0056 9.3786 124.5071 56.8639 28.6555 175.9122 18 T 4.8289 7.4081 111.2511 63.2189 73.1869 174.9107 19 V 4.7420 8.2343 116.3449 60.2774 36.5572 174.4222 20 T 4.4886 9.0689 123.2846 63.4697 69.6162 173.6405 21 V 4.6275 8.9048 127.5930 60.8801 34.1375 174.1629 22 L 4.5879 9.2842 132.5507 54.4036 42.5696 175.3857 23 V 4.3871 8.7904 127.5523 61.3256 33.7303 175.2886 24 E 5.0163 8.7542 128.0749 55.2999 31.9092 175.1037 25 R 4.4364 7.5955 115.4220 56.8265 31.8309 172.7641 26 Q 5.3104 8.9852 117.7983 52.7205 33.3022 174.2999 27 F 4.8848 7.6277 115.2421 56.4212 39.8584 171.2730 28 P 5.1670 0.0000 0.0000 61.4882 33.1934 175.0687 29 H 4.5190 9.2450 122.8904 55.3391 30.6033 174.7117 30 P 4.6432 0.0000 0.0000 63.1930 30.5315 176.2694 31 L 4.4805 8.6352 119.4425 56.1486 47.3703 175.6890 32 Y 4.4031 7.6478 113.8873 56.5699 38.3173 175.7390 33 G 3.9620 7.0936 107.8459 45.0131 0.0000 173.0713 34 K 4.8924 6.8214 113.7938 50.4044 34.1110 175.4334 35 V 4.2250 8.3825 126.9689 63.3219 33.0117 174.7057 36 I 4.3365 7.9007 114.5624 59.6557 40.7103 173.6942 37 K 4.8895 8.4583 124.3341 55.9419 34.6419 175.6548 38 R 4.6635 8.6141 121.1291 55.3381 33.9849 174.8495 39 S 4.8531 8.4794 121.8010 57.3256 65.6060 172.9820 40 K 4.4863 7.4694 122.2902 56.5592 36.0606 173.9153 41 K 4.9746 8.7384 126.8583 55.8537 34.0270 175.6920 42 Y 4.5358 8.8077 120.1500 56.4879 42.1937 174.9830 43 L 4.9266 8.7567 124.4645 53.7540 41.7881 174.1573 44 A 4.6064 8.6505 125.0975 51.0581 19.9145 176.6074 45 H 4.4789 9.4653 123.3216 56.9711 31.7772 173.6741 46 D 4.8124 7.6841 115.1444 53.0493 42.2340 174.1178 47 P 4.2405 0.0000 0.0000 65.3884 31.5686 178.6492 48 E 4.0215 8.1898 116.1892 56.7627 29.8234 176.1721 49 E 3.8011 7.7605 118.0235 57.2301 27.0833 175.1013 50 K 4.1536 7.3426 115.5804 57.7353 34.3858 176.0777 51 Y 4.0931 6.8300 118.5361 57.3452 38.7238 176.0651 52 K 4.7283 8.5027 120.9661 54.1413 36.1647 174.8841 53 L 4.2369 8.3742 120.4411 56.7451 42.3557 175.9188 54 G 4.2769 8.8577 112.0737 45.6616 0.0000 173.8485 55 D 4.5957 7.8878 119.0019 54.3246 42.4163 176.2824 56 V 4.5742 8.4819 121.8676 61.6800 33.5279 174.8798 57 V 4.7339 8.1205 121.3800 59.5745 35.4746 174.2818 58 E 4.8931 8.0039 120.5075 55.0659 31.3998 175.6076 59 I 4.7425 9.5864 125.6605 59.7473 39.4431 174.5471 60 I 5.0002 8.5911 126.4848 58.6884 40.9492 174.2721 61 E 3.8833 8.9383 130.0794 57.6033 30.2056 175.7729 62 S 4.5596 7.5664 119.6571 57.4635 67.9449 174.0889 63 R 3.9353 8.4073 121.5282 55.3016 30.3084 174.0553 64 P 4.3215 0.0000 0.0000 63.6508 31.6262 176.1091 65 I 4.1130 8.4592 124.7439 63.1920 38.4682 176.4877 66 S 4.4134 7.2043 115.2070 58.6574 65.8701 175.1918 67 K 4.2567 8.2951 121.2571 55.4966 33.3174 177.9754 68 R 3.5813 8.4154 116.9674 57.5518 29.3247 176.6567 69 K 4.7083 9.6672 115.5355 54.5635 31.5475 176.5206 70 R 4.9065 8.1197 126.6978 55.0127 31.6226 174.8278 71 F 5.1403 8.0717 114.7945 56.9296 44.0320 173.7359 72 R 4.9953 8.7771 117.9660 54.6180 34.8932 174.5704 73 V 3.9031 7.6156 122.3433 62.6725 31.6497 175.4568 74 L 4.3551 9.4964 133.0443 56.7500 41.8957 176.6075 75 R 4.7986 7.4676 112.9047 54.5007 32.7997 173.2097 76 L 4.0397 9.1412 125.3695 57.5422 42.4879 174.0634 77 V 3.8240 9.0003 127.4199 64.0301 31.5023 177.0056 78 E 4.5535 9.2242 117.4988 54.7461 31.8834 177.6064 79 S 4.3615 8.8529 119.3850 58.1118 63.3395 171.0924 80 G 3.8943 8.2548 118.1140 46.0638 0.0000 175.1602 81 R 5.0518 8.0116 127.6505 53.7979 31.7323 177.2298 82 M 4.3568 8.3590 119.0033 57.7032 32.1948 177.5672 83 D 4.3949 8.0081 119.7092 56.0952 39.6596 178.3326 84 L 4.0450 8.3712 120.5798 57.3922 41.9102 178.9786 85 V 3.7011 7.9557 117.6471 66.4350 31.1168 177.8159 86 E 3.9536 8.3769 117.8968 59.4710 29.4990 179.2509 87 K 3.8924 7.9912 118.4932 59.5716 31.9277 178.7118 88 Y 4.2256 7.8158 119.0705 60.6871 38.8897 177.3666 89 L 3.5980 8.0291 118.2797 56.9468 41.8100 179.3021 90 I 3.9010 7.9416 120.6614 64.0710 35.8263 178.1543 91 R 3.7694 7.6914 118.9362 58.8375 29.5399 177.3579 92 R 3.5462 7.5639 116.8652 56.1912 30.0951 176.4622 93 Q 4.4001 7.6941 119.6737 57.5372 30.5973 177.0205 94 N 4.2803 7.3796 116.3629 56.3258 38.7624 175.8541 95 Y 4.3437 7.4360 117.8476 61.5038 37.9787 178.4377 96 E 3.8622 8.3448 118.1674 60.1630 30.0003 180.2643 97 S 4.6395 7.9287 111.3541 58.7987 62.0607 175.0289 98 L 4.7467 8.4060 121.0570 55.1178 44.7914 178.8749 99 S 4.5222 7.1576 110.5065 58.5789 63.2880 174.8364 100 K 4.4715 8.2150 113.4296 56.8245 34.0582 176.4220 *101 R 4.1415 7.7996 120.2660 56.3173 30.0213 176.8045 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 2 P 0.00 4.38 0.00 2.20 2.17 0.00 3.74 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 1.89 2.00 0.00 3 K 8.86 4.22 0.00 1.87 1.85 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 4 K 7.69 4.44 0.00 1.95 1.74 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.64 7.81 5 V 8.29 4.91 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 0.86 0.00 0.00 1.03 0.00 0.00 6 L 8.86 4.98 0.00 1.24 1.29 0.41 0.44 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 7 T 8.12 4.85 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 1.14 0.00 0.00 8 G 8.40 4.55 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 9 V 8.14 4.23 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 0.93 0.00 0.00 0.90 0.00 0.00 10 V 8.61 4.49 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 0.94 0.00 0.00 0.99 0.00 0.00 11 V 9.11 4.79 2.37 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 0.71 0.00 0.00 0.67 0.00 0.00 12 S 7.31 5.53 0.00 4.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.96 5.24 0.00 2.85 2.84 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 14 K 7.60 4.12 0.00 1.61 1.95 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.49 7.81 15 M 7.15 4.32 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 16 Q 8.44 4.12 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 17 K 9.38 4.01 0.00 1.97 1.96 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.47 7.81 18 T 7.41 4.83 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 1.30 0.00 0.00 19 V 8.23 4.74 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 0.85 0.00 0.00 0.92 0.00 0.00 20 T 9.07 4.49 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 1.19 0.00 0.00 21 V 8.90 4.63 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 0.97 0.00 0.00 0.96 0.00 0.00 22 L 9.28 4.59 0.00 1.44 1.48 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.79 4.39 1.92 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 0.77 0.00 0.00 0.51 0.00 0.00 24 E 8.75 5.02 0.00 1.87 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 2.26 2.11 0.00 25 R 7.60 4.44 0.00 1.92 2.04 0.00 3.15 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 26 Q 8.99 5.31 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.10 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 27 F 7.63 4.88 0.00 3.13 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 28 P 0.00 5.17 0.00 2.22 2.15 0.00 3.61 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.88 0.00 29 H 9.25 4.52 0.00 3.43 3.37 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.64 0.00 2.26 2.17 0.00 4.03 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 31 L 8.64 4.48 0.00 1.46 1.62 0.63 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.65 4.40 0.00 2.79 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 33 G 7.09 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 0.00 0.00 0.00 34 K 6.82 4.89 0.00 1.93 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 35 V 8.38 4.23 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 0.84 0.00 0.00 0.92 0.00 0.00 36 I 7.90 4.34 1.61 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.81 0.00 0.00 37 K 8.46 4.89 0.00 1.72 1.76 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.65 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.38 7.81 38 R 8.61 4.66 0.00 2.02 1.88 0.00 3.30 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 39 S 8.48 4.85 0.00 3.82 3.81 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 40 K 7.47 4.49 0.00 2.10 1.87 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.92 1.09 7.81 41 K 8.74 4.97 0.00 1.64 1.68 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 1.40 7.81 42 Y 8.81 4.54 0.00 2.75 2.66 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 43 L 8.76 4.93 0.00 1.67 1.68 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.65 4.61 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 45 H 9.47 4.48 0.00 3.26 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.68 4.81 0.00 2.78 2.49 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 47 P 0.00 4.24 0.00 2.25 2.26 0.00 3.78 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 48 E 8.19 4.02 0.00 1.97 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 2.31 2.35 0.00 49 E 7.76 3.80 0.00 2.10 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 2.27 2.44 0.00 50 K 7.34 4.15 0.00 1.64 1.66 0.00 1.20 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.21 7.81 51 Y 6.83 4.09 0.00 2.97 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 52 K 8.50 4.73 0.00 1.90 1.90 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.54 7.81 53 L 8.37 4.24 0.00 1.84 1.68 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.86 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 0.00 0.00 0.00 0.00 55 D 7.89 4.60 0.00 2.91 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 56 V 8.48 4.57 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 0.94 0.00 0.00 0.97 0.00 0.00 57 V 8.12 4.73 1.81 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 0.58 0.00 0.00 0.75 0.00 0.00 58 E 8.00 4.89 0.00 1.70 1.78 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 2.18 2.37 0.00 59 I 9.59 4.74 1.46 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.65 0.33 0.00 0.00 60 I 8.59 5.00 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 1.17 1.70 1.03 0.00 0.00 61 E 8.94 3.88 0.00 2.22 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 2.20 2.05 0.00 62 S 7.57 4.56 0.00 3.66 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 63 R 8.41 3.94 0.00 1.74 1.80 0.00 3.40 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 64 P 0.00 4.32 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 65 I 8.46 4.11 1.86 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 1.31 0.27 0.78 0.00 0.00 66 S 7.20 4.41 0.00 3.91 3.67 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 67 K 8.30 4.26 0.00 1.80 1.72 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.44 7.81 68 R 8.42 3.58 0.00 1.96 2.02 0.00 3.25 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 69 K 9.67 4.71 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.50 7.81 70 R 8.12 4.91 0.00 1.56 1.37 0.00 3.14 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 71 F 8.07 5.14 0.00 3.04 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 72 R 8.78 5.00 0.00 1.73 1.79 0.00 3.18 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 73 V 7.62 3.90 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 -0.50 0.00 0.00 0.65 0.00 0.00 74 L 9.50 4.36 0.00 1.53 1.59 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.47 4.80 0.00 1.95 2.02 0.00 3.05 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 76 L 9.14 4.04 0.00 1.98 1.78 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.00 3.82 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 0.82 0.00 0.00 0.99 0.00 0.00 78 E 9.22 4.55 0.00 2.08 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 2.29 0.00 79 S 8.85 4.36 0.00 3.87 3.81 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 80 G 8.25 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 81 R 8.01 5.05 0.00 2.03 1.90 0.00 3.32 0.00 0.00 3.63 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 82 M 8.36 4.36 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 8.01 4.39 0.00 2.87 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 84 L 8.37 4.05 0.00 1.83 1.75 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.96 3.70 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 1.23 0.00 0.00 1.09 0.00 0.00 86 E 8.38 3.95 0.00 2.31 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 2.49 2.50 0.00 87 K 7.99 3.89 0.00 1.97 1.91 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.62 7.81 88 Y 7.82 4.23 0.00 3.01 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 89 L 8.03 3.60 0.00 1.56 1.62 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.94 3.90 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.86 0.00 0.00 91 R 7.69 3.77 0.00 2.02 1.86 0.00 3.06 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 92 R 7.56 3.55 0.00 1.46 1.53 0.00 2.90 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.00 0.00 93 Q 7.69 4.40 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.52 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 94 N 7.38 4.28 0.00 2.64 2.79 0.00 0.00 6.98 7.36 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 95 Y 7.44 4.34 0.00 2.95 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 96 E 8.34 3.86 0.00 2.10 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 2.44 2.48 0.00 97 S 7.93 4.64 0.00 4.06 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 98 L 8.41 4.75 0.00 1.68 1.68 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.16 4.52 0.00 4.03 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 0.00 100 K 8.21 4.47 0.00 1.72 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.43 7.81 *101 R 7.80 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.