NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4147 0.0000 0.0000 62.8594 34.3751 177.1669 7 S 4.4668 7.7447 116.6809 58.0796 61.8991 171.8788 8 T 4.4758 8.1234 123.1159 65.9555 71.6515 177.2991 9 A 4.0631 7.9962 121.9781 55.0325 18.4636 179.3114 10 L 4.0115 8.1561 118.4807 58.3302 42.4128 178.8173 11 R 3.8237 8.2127 118.2123 59.7369 30.1200 178.1917 12 E 4.0589 8.5388 118.5012 58.9492 29.3997 179.1505 13 L 4.0353 7.9026 120.5252 58.1524 42.2257 178.5887 14 I 3.6667 7.8043 119.7987 64.6953 36.9629 178.0752 15 E 3.9025 7.9924 118.4574 59.6784 29.3124 178.5008 16 E 3.9006 8.0181 118.8131 59.4921 29.4022 178.5239 17 L 3.9633 8.0821 119.1334 58.1379 42.2671 179.7835 18 V 3.7025 8.0698 118.0776 65.8382 31.3715 177.5421 19 N 4.3211 8.3589 117.6055 56.8056 38.8744 176.4172 20 I 4.2286 7.7778 107.5001 61.7011 38.4638 175.7677 21 T 4.5062 8.1412 110.8516 63.3420 69.8243 175.8206 22 Q 4.1486 5.7400 118.7540 54.1664 28.0633 179.5413 *27 P 4.2411 0.0000 0.0000 62.5581 32.3410 175.2005 28 L 4.2708 7.8747 120.5789 54.9354 43.9209 177.2259 29 C 4.2183 8.8854 124.3014 57.9141 37.5598 173.9692 30 N 4.6935 7.8127 116.7446 54.5711 37.0020 172.5552 31 G 3.7911 8.8103 112.7713 45.3766 0.0000 172.6073 32 S 4.3937 8.5256 117.2300 59.0011 63.4608 172.8899 33 M 5.1943 8.0840 120.5777 54.5570 35.8511 175.2937 34 V 4.1572 8.2894 116.6348 61.9864 35.7653 175.4335 *35 W 4.0723 7.7677 125.0183 59.5652 28.1938 173.3303 *43 M 4.4436 9.5063 119.3097 56.6923 33.9012 176.0595 44 Y 4.0817 7.8947 115.7153 61.0585 38.0551 178.7498 45 C 4.3626 8.3952 116.8072 60.1277 35.2670 175.5542 46 A 3.9762 8.2233 121.4432 55.5886 17.7755 179.4318 47 A 4.3683 7.9226 118.8620 55.0522 18.4533 179.7297 48 L 3.9708 7.9169 119.3020 58.2010 41.9891 178.6029 49 E 3.9206 7.9664 117.5443 59.8840 29.6371 179.4377 50 S 4.0867 7.7156 110.7509 60.4401 62.5909 175.2373 51 L 4.2285 7.1674 120.7747 56.0370 43.0913 177.2371 52 I 4.2201 7.9790 119.5919 60.3396 36.3068 175.1173 53 N 4.9237 7.4523 115.0277 53.4601 43.0445 175.9930 54 V 3.8761 7.6733 118.8102 62.5316 32.2375 175.7093 55 S 4.5479 8.5485 118.4523 58.7295 65.0152 175.8083 56 G 3.7253 8.2067 106.0286 46.2651 0.0000 173.3414 57 C 5.0068 7.9539 119.1130 54.5786 46.4037 173.9383 58 S 5.1582 8.9281 119.2229 60.1033 63.5017 176.3100 59 A 4.1288 7.9206 122.5021 53.9428 18.4966 177.9450 60 I 4.1275 7.6428 108.2196 62.0999 38.8349 177.7716 61 E 3.9224 7.9846 121.1272 59.4746 29.3965 178.6533 62 K 3.8156 8.0902 118.8832 60.0304 31.9722 178.1871 63 T 3.9218 7.9694 113.7048 67.1000 68.5629 175.6452 64 Q 4.2043 8.2268 119.4453 59.2009 28.3113 179.2231 65 R 3.9779 7.9556 118.7691 59.9707 29.8023 179.0284 66 M 4.0375 7.9546 117.3257 58.2886 31.8827 178.8234 67 L 4.2530 7.8341 119.6262 57.3865 42.0771 179.0414 68 S 4.3899 7.9311 113.1104 60.3294 62.8475 176.2368 69 G 3.4531 7.2483 108.4028 46.3155 0.0000 174.0313 70 F 4.5712 7.6091 117.5402 57.0873 40.0898 174.5941 71 C 4.8859 7.4080 119.6901 53.9896 44.2192 171.6210 72 P 4.2320 0.0000 0.0000 64.9140 31.3553 176.9412 73 H 4.7894 7.7021 112.4606 53.6276 30.0282 174.7414 74 K 4.0343 8.5293 123.3330 56.3593 32.6968 176.0374 75 V 4.2630 8.2848 125.5989 61.3861 32.7057 175.1948 76 S 4.6649 8.3275 122.4440 57.1235 66.3653 177.9663 77 A 3.4764 7.7821 124.2200 53.3228 19.0763 179.9854 *88 T 4.2228 8.2446 121.0945 66.1256 69.2354 173.3593 89 K 4.8547 8.3403 122.4418 56.5598 33.9706 176.6932 90 I 3.9643 7.9225 112.3675 60.3707 38.5878 175.3892 91 E 4.8687 8.5712 120.9531 56.5044 29.8873 177.2960 92 V 4.3084 8.4533 116.4292 65.0049 32.3052 177.6237 93 A 4.0488 8.1148 120.0973 55.3578 18.0170 179.2886 94 Q 4.0637 7.9974 115.5424 58.5720 29.3075 177.8609 95 F 4.1131 7.7620 122.1445 61.2557 39.3546 177.4633 96 V 3.5668 8.0364 117.9199 65.8484 31.2686 177.9002 97 K 3.8543 7.6970 117.8368 59.7736 31.9122 178.9966 98 D 4.1826 7.8888 118.5177 57.2552 40.7656 178.3181 99 L 3.7540 7.4219 120.8152 58.0391 41.8801 178.5833 100 L 3.8663 8.3283 120.3386 58.2831 41.9408 178.7075 101 L 3.8761 7.4937 118.5628 58.4565 41.5632 179.5175 102 H 4.1339 7.9801 115.6248 58.5542 28.6015 177.6638 103 L 3.8793 8.1638 121.2439 57.9193 41.4894 179.5735 104 K 3.8781 8.1369 118.2627 59.6757 32.0627 179.3256 105 K 4.0526 8.2731 119.6631 59.2723 31.9679 178.9706 106 L 4.1203 8.3377 119.9898 57.8995 41.5002 178.5493 107 F 4.0593 8.7165 120.8545 61.7057 39.0181 177.0683 108 R 3.9984 8.6261 118.1137 59.7147 30.1101 178.5743 109 E 4.1534 8.2027 117.0760 56.7035 30.3279 176.6726 110 G 3.6149 8.8792 106.2853 45.9624 0.0000 173.6528 111 R 4.1776 8.5437 122.2125 56.2690 31.2545 175.7326 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 6 P 0.00 4.41 0.00 2.07 2.06 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 7 S 7.74 4.47 0.00 4.23 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 8 T 8.12 4.48 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 1.25 0.00 0.00 9 A 8.00 4.06 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 10 L 8.16 4.01 0.00 1.84 1.86 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.21 3.82 0.00 2.25 2.17 0.00 3.57 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 E 8.54 4.06 0.00 2.21 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 2.35 2.34 0.00 13 L 7.90 4.04 0.00 1.94 1.97 1.02 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.80 3.67 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.78 0.00 0.00 15 E 7.99 3.90 0.00 2.21 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 2.23 2.57 0.00 16 E 8.02 3.90 0.00 2.14 1.94 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 2.33 2.54 0.00 17 L 8.08 3.96 0.00 1.66 1.75 0.94 0.89 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 18 V 8.07 3.70 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 0.97 0.00 0.00 0.96 0.00 0.00 19 N 8.36 4.32 0.00 2.75 2.99 0.00 0.00 7.02 8.27 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 20 I 7.78 4.23 1.89 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 1.57 0.73 1.00 0.00 0.00 21 T 8.14 4.51 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 1.22 0.00 0.00 22 Q 5.74 4.15 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 *27 P 0.00 4.24 0.00 2.06 2.10 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 28 L 7.87 4.27 0.00 1.59 1.59 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.89 4.22 0.00 3.16 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 30 N 7.81 4.69 0.00 2.81 2.78 0.00 0.00 7.40 7.98 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 31 G 8.81 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 32 S 8.53 4.39 0.00 4.05 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 33 M 8.08 5.19 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.71 0.00 34 V 8.29 4.16 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 0.50 0.00 0.00 0.57 0.00 0.00 *35 W 7.77 4.07 0.00 2.25 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 0.00 0.00 0.00 *43 M 9.51 4.44 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 44 Y 7.89 4.08 0.00 3.20 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 45 C 8.40 4.36 0.00 3.05 3.21 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 0.00 0.00 0.00 0.00 46 A 8.22 3.98 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 47 A 7.92 4.37 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.97 0.00 1.84 1.91 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.97 3.92 0.00 2.19 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 2.39 2.38 0.00 50 S 7.72 4.09 0.00 3.85 3.42 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 51 L 7.17 4.23 0.00 2.13 1.70 1.23 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.98 4.22 1.98 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 1.31 1.02 0.91 0.00 0.00 53 N 7.45 4.92 0.00 2.62 2.72 0.00 0.00 7.18 7.68 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 54 V 7.67 3.88 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 0.77 0.00 0.00 0.97 0.00 0.00 55 S 8.55 4.55 0.00 3.97 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 56 G 8.21 3.73 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 0.00 0.00 0.00 57 C 7.95 5.01 0.00 2.90 2.90 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 58 S 8.93 5.16 0.00 4.04 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 59 A 7.92 4.13 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 60 I 7.64 4.13 1.89 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 1.43 0.73 0.96 0.00 0.00 61 E 7.98 3.92 0.00 2.08 2.05 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 2.34 2.39 0.00 62 K 8.09 3.82 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.56 7.81 63 T 7.97 3.92 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 1.29 0.00 0.00 64 Q 8.23 4.20 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 65 R 7.96 3.98 0.00 2.13 1.98 0.00 3.13 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 66 M 7.95 4.04 0.00 2.19 2.31 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 2.63 2.60 0.00 67 L 7.83 4.25 0.00 1.93 1.88 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.93 4.39 0.00 4.03 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 69 G 7.25 3.45 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 0.00 0.00 0.00 0.00 70 F 7.61 4.57 0.00 2.88 1.70 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 71 C 7.41 4.89 0.00 3.07 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 72 P 0.00 4.23 0.00 2.11 2.10 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 73 H 7.70 4.79 0.00 3.26 3.31 0.00 5.53 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.53 4.03 0.00 1.75 1.78 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 75 V 8.28 4.26 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 0.91 0.00 0.00 0.95 0.00 0.00 76 S 8.33 4.66 0.00 3.89 3.77 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 0.00 0.00 0.00 0.00 77 A 7.78 3.48 1.02 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 0.00 0.00 *88 T 8.24 4.22 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 89 K 8.34 4.85 0.00 1.70 1.69 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.40 7.81 90 I 7.92 3.96 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.93 0.00 0.00 91 E 8.57 4.87 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 2.53 2.18 0.00 92 V 8.45 4.31 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 1.14 0.00 0.00 0.91 0.00 0.00 93 A 8.11 4.05 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 94 Q 8.00 4.06 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 95 F 7.76 4.11 0.00 3.27 3.10 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 96 V 8.04 3.57 2.23 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 0.80 0.00 0.00 1.11 0.00 0.00 97 K 7.70 3.85 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.58 7.81 98 D 7.89 4.18 0.00 2.58 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 99 L 7.42 3.75 0.00 1.48 1.69 0.78 0.67 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 0.00 100 L 8.33 3.87 0.00 1.80 1.77 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.49 3.88 0.00 1.78 1.48 0.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 H 7.98 4.13 0.00 3.26 3.21 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.16 3.88 0.00 1.91 1.70 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.14 3.88 0.00 1.91 1.86 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.50 7.81 105 K 8.27 4.05 0.00 1.79 1.91 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.47 7.81 106 L 8.34 4.12 0.00 1.98 1.72 0.69 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.72 4.06 0.00 3.12 3.25 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 0.00 108 R 8.63 4.00 0.00 2.02 2.04 0.00 3.24 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.99 0.00 109 E 8.20 4.15 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 2.33 2.38 0.00 110 G 8.88 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.54 4.18 0.00 1.80 1.76 0.00 3.19 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.