NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 D 4.6294 8.3493 120.3167 52.9258 40.7425 174.4999 23 K 4.0022 8.3928 117.9804 54.9177 33.2362 175.3914 24 R 4.0259 8.6260 119.3176 56.5276 30.9426 178.1824 25 E 4.0448 8.4842 116.0885 55.7491 30.3183 176.7948 26 L 4.0533 8.3114 125.1955 53.9929 42.4215 176.3676 27 V 3.9066 8.2696 126.6495 62.1566 32.0069 175.3680 28 F 4.9699 8.5537 126.1122 55.7863 40.4664 175.8048 29 K 4.2371 8.8125 122.4180 57.0643 33.0353 176.0932 30 E 4.7865 8.8016 119.4511 54.0648 33.1078 174.6976 31 E 3.9369 8.6094 119.8516 58.3911 29.9568 177.1556 32 G 3.9197 9.0619 112.5619 45.7871 0.0000 172.3368 33 Q 5.0952 7.6674 116.2789 54.0375 32.7531 174.5305 34 E 4.6395 8.8588 119.4758 54.8179 34.4969 174.7095 35 Y 4.9630 8.3636 119.5640 58.3965 39.6693 174.7505 36 G 4.5398 9.5052 108.5805 45.0299 0.0000 170.9755 37 Q 5.2425 8.8133 120.8899 53.7507 32.2120 174.6882 38 V 4.1062 8.9470 127.5775 63.7802 32.0907 176.1375 39 Q 4.3158 9.3082 127.7812 57.2764 29.6489 175.4532 40 R 4.1637 7.5863 119.0032 56.1270 35.7496 177.4308 *42 L 4.0854 8.8967 116.8548 52.9603 43.6047 177.4695 43 G 3.8463 8.1629 109.7447 45.7111 0.0000 173.2774 44 N 4.4143 9.3637 111.9333 53.1295 35.0534 171.4717 45 G 4.0780 8.1722 103.4366 47.7554 0.0000 173.8842 46 R 5.3695 7.6482 115.7182 54.0518 34.2744 175.3207 47 L 4.9025 8.6580 119.6742 54.6174 44.7780 174.3777 48 D 5.2958 8.9614 120.0372 53.1487 42.6726 175.4702 49 A 5.1285 8.9145 125.0683 50.1527 22.0290 174.2549 50 Y 4.4282 8.7318 123.7687 57.0627 40.0103 174.1554 51 C 4.4005 7.9685 124.9575 58.0928 30.3819 174.7669 52 F 4.5055 8.7641 120.1632 58.4883 38.4735 175.8680 53 D 4.5841 7.9156 119.7107 53.3714 39.4694 177.1033 54 G 3.9448 8.2158 107.9082 45.2017 0.0000 172.7789 55 Q 4.6125 7.4607 120.7490 53.7015 31.5801 174.6832 56 K 4.6707 8.6787 126.0854 56.4409 33.1473 176.6076 57 R 4.8101 8.9917 123.1389 54.2813 34.7248 174.1359 58 L 4.7224 9.0249 126.4283 54.5409 43.3493 174.8593 59 C 5.2886 9.0915 125.0885 57.9464 31.2495 173.0909 60 H 4.8419 9.0175 124.0341 56.2891 30.7358 173.7650 61 I 4.5824 8.3293 127.1108 59.5900 38.4391 176.0263 62 R 4.1081 8.5095 126.3703 55.4747 31.2506 176.7405 63 G 3.8212 8.8794 111.0348 48.8910 0.0000 176.0424 64 K 3.8754 7.9293 117.0256 57.0888 31.6757 178.1798 *66 R 4.1799 8.0178 117.6173 55.7513 31.8545 177.2311 67 K 3.9820 7.8465 116.1042 58.7638 32.1458 178.3186 68 K 4.1591 7.4965 116.6166 57.9516 33.3374 177.1107 69 V 4.4215 7.0452 110.1512 58.9289 35.5017 174.5888 70 W 4.5037 8.5181 121.8081 55.9022 29.9672 176.1696 71 V 4.6308 8.5511 122.1259 61.1905 33.2279 174.3072 72 N 5.1866 9.4559 123.6743 50.3887 42.6510 172.0397 73 P 4.6316 0.0000 0.0000 64.7243 31.7604 176.7788 74 G 4.1125 9.2493 111.2775 45.3972 0.0000 173.8425 75 D 4.6180 7.9556 119.5919 54.7300 42.2302 175.5989 76 I 4.9795 8.4396 122.4075 60.5136 39.1201 175.2154 77 V 5.0738 9.2440 119.2712 59.6051 36.4459 173.9909 78 L 4.9823 8.8391 125.2028 53.7047 44.0045 175.1394 79 V 4.7036 8.6891 126.6248 61.1398 34.1774 174.0829 80 S 4.8472 9.2129 123.6587 57.3314 63.3990 173.6947 81 L 4.4989 8.7853 127.8311 54.7838 42.6423 176.6516 82 R 4.3628 8.1998 119.2389 54.4846 31.9326 176.5719 83 D 4.1897 8.7049 124.8713 57.0935 40.8810 177.9037 84 F 4.8815 7.3184 114.9637 57.9234 39.9563 175.9411 85 Q 4.4649 7.6651 118.6418 53.6439 28.3594 175.1401 86 D 4.3504 8.4727 125.9417 57.4223 41.8143 176.9701 87 S 4.5091 8.0564 112.1745 59.1817 64.0589 173.5677 88 K 5.4112 7.1760 119.2580 54.2487 36.1035 174.9913 89 G 4.0944 7.8579 106.6891 46.2415 0.0000 171.5052 90 D 5.4657 8.5113 118.6522 52.3911 44.7600 175.5951 91 I 4.2944 8.4867 124.8731 61.5329 37.2177 176.0685 92 I 4.1272 8.7654 129.4062 63.6262 37.5448 176.1783 93 L 4.6104 7.5848 119.8869 54.1764 44.0342 173.9162 94 K 4.8523 8.2715 120.9268 54.8881 34.1188 175.0285 95 Y 4.6910 8.8823 125.9314 57.3500 39.0268 175.9088 96 T 4.2144 9.1439 113.6173 60.6803 70.0708 173.6852 97 P 4.2512 0.0000 0.0000 66.1100 31.2668 178.5778 98 D 4.3534 8.1071 116.8542 57.5112 40.8015 178.6373 99 E 3.9377 8.4176 118.7618 59.2729 29.4982 179.1631 100 A 3.7627 8.5102 121.1532 55.3486 18.4647 179.9586 101 R 3.8303 8.2364 116.3649 59.0763 29.9737 179.1892 102 A 3.9265 8.0087 120.6984 55.1018 18.3886 179.3775 103 L 3.7273 8.0766 117.8882 57.9397 41.6620 179.8925 104 K 3.9124 7.8022 119.1662 59.5626 31.9431 178.8293 105 S 4.1047 8.2612 112.5892 61.0681 62.3894 175.4071 106 K 4.3259 8.1995 118.7575 56.2431 32.0265 177.8073 107 G 3.9103 7.8315 107.6370 45.7415 0.0000 174.7595 108 E 4.1491 8.1618 120.8433 57.9597 29.6824 176.9316 109 I 4.2728 6.8580 109.3796 57.5572 40.9567 173.1894 110 P 4.2998 0.0000 0.0000 62.2326 31.7435 177.5024 111 E 3.8942 8.6990 122.3049 59.2882 29.6197 177.7197 112 T 4.3046 7.7034 106.0639 61.7753 69.3921 174.8390 113 T 3.9256 7.6394 120.4023 63.6507 68.8283 173.7850 114 K 4.1667 8.6298 127.7116 55.9818 32.5275 176.5947 115 I 4.0631 8.2936 126.2838 61.5404 37.2190 175.6933 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 22 D 8.35 4.63 0.00 2.79 2.80 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 23 K 8.39 4.00 0.00 1.97 1.86 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.50 7.81 24 R 8.63 4.03 0.00 1.93 1.97 0.00 3.01 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 25 E 8.48 4.04 0.00 2.01 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 2.23 1.87 0.00 26 L 8.31 4.05 0.00 1.48 1.40 0.85 0.74 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 27 V 8.27 3.91 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 0.91 0.00 0.00 0.97 0.00 0.00 28 F 8.55 4.97 0.00 3.19 3.11 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 0.00 0.00 0.00 29 K 8.81 4.24 0.00 1.56 1.01 0.00 1.50 0.00 0.00 0.98 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 1.30 7.81 30 E 8.80 4.79 0.00 2.11 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 2.24 2.25 0.00 31 E 8.61 3.94 0.00 2.17 1.85 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 2.30 1.89 0.00 32 G 9.06 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 33 Q 7.67 5.10 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 34 E 8.86 4.64 0.00 1.77 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.48 0.00 35 Y 8.36 4.96 0.00 3.24 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 36 G 9.51 4.54 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 0.00 0.00 0.00 37 Q 8.81 5.24 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.66 0.00 38 V 8.95 4.11 2.29 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 0.92 0.00 0.00 0.99 0.00 0.00 39 Q 9.31 4.32 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.34 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 40 R 7.59 4.16 0.00 1.85 1.74 0.00 3.14 0.00 0.00 3.35 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 *42 L 8.90 4.09 0.00 1.70 1.82 0.96 0.92 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 43 G 8.16 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 0.00 0.00 0.00 44 N 9.36 4.41 0.00 2.89 2.75 0.00 0.00 6.59 7.51 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 45 G 8.17 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 46 R 7.65 5.37 0.00 1.76 1.82 0.00 3.16 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 47 L 8.66 4.90 0.00 1.93 1.72 0.94 0.94 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 48 D 8.96 5.30 0.00 2.64 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 49 A 8.91 5.13 1.19 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 0.00 0.00 50 Y 8.73 4.43 0.00 3.09 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 51 C 7.97 4.40 0.00 2.88 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 52 F 8.76 4.51 0.00 3.18 3.16 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 53 D 7.92 4.58 0.00 2.77 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 54 G 8.22 3.94 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 0.00 0.00 0.00 55 Q 7.46 4.61 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 56 K 8.68 4.67 0.00 1.71 1.76 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.60 1.60 7.81 57 R 8.99 4.81 0.00 1.65 1.74 0.00 3.06 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 58 L 9.02 4.72 0.00 1.71 1.56 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 C 9.09 5.29 0.00 2.84 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 60 H 9.02 4.84 0.00 3.27 3.36 0.00 5.76 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 61 I 8.33 4.58 1.79 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 1.20 0.79 0.86 0.00 0.00 62 R 8.51 4.11 0.00 1.76 1.84 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 63 G 8.88 3.82 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 0.00 0.00 0.00 64 K 7.93 3.88 0.00 1.77 1.74 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.43 7.81 *66 R 8.02 4.18 0.00 1.97 1.91 0.00 3.21 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.73 0.00 67 K 7.85 3.98 0.00 2.12 1.78 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.25 7.81 68 K 7.50 4.16 0.00 1.77 1.85 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.31 7.81 69 V 7.05 4.42 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 0.72 0.00 0.00 0.88 0.00 0.00 70 W 8.52 4.50 0.00 3.32 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 71 V 8.55 4.63 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 0.89 0.00 0.00 0.95 0.00 0.00 72 N 9.46 5.19 0.00 2.75 2.65 0.00 0.00 6.56 7.58 0.00 0.00 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 P 0.00 4.63 0.00 2.05 2.21 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 74 G 9.25 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.96 4.62 0.00 2.80 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 76 I 8.44 4.98 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.02 0.98 0.00 0.00 77 V 9.24 5.07 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 0.77 0.00 0.00 1.07 0.00 0.00 78 L 8.84 4.98 0.00 1.89 1.50 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.69 4.70 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 0.86 0.00 0.00 0.95 0.00 0.00 80 S 9.21 4.85 0.00 3.87 3.69 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 81 L 8.79 4.50 0.00 1.48 1.53 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.20 4.36 0.00 1.87 1.74 0.00 3.14 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 83 D 8.70 4.19 0.00 1.91 2.35 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 84 F 7.32 4.88 0.00 3.07 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 85 Q 7.67 4.46 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 86 D 8.47 4.35 0.00 2.64 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.51 0.00 3.95 4.09 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 88 K 7.18 5.41 0.00 1.73 1.72 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.20 7.81 89 G 7.86 4.09 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 0.00 0.00 0.00 90 D 8.51 5.47 0.00 2.57 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 91 I 8.49 4.29 1.84 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 1.37 0.74 0.93 0.00 0.00 92 I 8.77 4.13 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.87 0.00 0.00 93 L 7.58 4.61 0.00 1.49 1.56 -0.03 0.36 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 94 K 8.27 4.85 0.00 1.75 1.67 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.35 1.49 7.81 95 Y 8.88 4.69 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 96 T 9.14 4.21 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 1.23 0.00 0.00 97 P 0.00 4.25 0.00 2.19 2.17 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 98 D 8.11 4.35 0.00 2.69 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 99 E 8.42 3.94 0.00 2.40 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 0.00 2.37 2.37 0.00 100 A 8.51 3.76 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 0.00 101 R 8.24 3.83 0.00 1.96 1.96 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 102 A 8.01 3.93 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 0.00 103 L 8.08 3.73 0.00 1.44 1.22 -0.40 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.80 3.91 0.00 1.69 1.87 0.00 1.58 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.49 7.81 105 S 8.26 4.10 0.00 3.82 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 0.00 106 K 8.20 4.33 0.00 1.86 1.89 0.00 2.04 0.00 0.00 2.02 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.57 7.81 107 G 7.83 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 0.00 0.00 0.00 108 E 8.16 4.15 0.00 1.85 1.63 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 2.45 2.71 0.00 109 I 6.86 4.27 0.99 0.00 0.00 0.58 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 0.33 0.20 0.00 0.00 110 P 0.00 4.30 0.00 2.16 1.99 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 111 E 8.70 3.89 0.00 1.89 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 2.25 2.22 0.00 112 T 7.70 4.30 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 1.21 0.00 0.00 113 T 7.64 3.93 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 1.37 0.00 0.00 114 K 8.63 4.17 0.00 1.74 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.47 7.81 115 I 8.29 4.06 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.