NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3796 8.1733 124.0474 54.9532 34.0327 174.5094 4 R 4.5102 8.5962 124.7436 54.7648 30.9373 174.0736 5 A 4.7936 10.0880 125.8444 50.5295 24.2890 173.7085 6 N 4.9633 8.2379 116.8134 51.8325 40.6811 174.8332 7 K 4.6650 9.1628 126.8861 54.9265 33.1927 174.6446 8 L 4.5937 9.0912 131.4182 54.3368 43.6098 175.3617 9 V 4.6808 8.7434 126.4761 61.0021 34.3290 174.0620 10 I 4.9491 8.6715 128.2724 59.6308 40.1149 174.4773 11 V 4.8382 8.7729 128.0366 61.6133 33.7319 174.5763 12 T 5.0348 8.5395 121.7836 61.1929 71.4174 172.1966 13 E 4.5429 8.6757 120.6589 55.8234 30.3737 178.0998 14 K 3.9023 8.4352 123.5922 59.5438 32.4439 179.3868 15 V 3.6014 7.7334 111.0219 64.0553 31.6825 177.1455 16 L 4.0488 7.7021 118.3144 54.2395 41.2843 177.9117 17 L 4.2195 7.9263 125.1910 59.2058 41.9752 179.9548 18 K 4.0386 7.9492 122.6970 59.6168 31.7199 181.0241 19 K 4.1404 7.8328 119.4163 59.4413 32.1039 179.5604 20 V 3.3702 7.9802 118.6302 65.5928 31.3025 177.7722 21 A 3.5223 8.1736 123.3079 55.5967 18.1872 180.3514 22 K 3.9421 7.9884 122.0747 59.9948 31.7604 181.2392 23 I 3.8752 7.4912 120.7019 64.1208 37.1017 178.5702 24 I 3.5594 7.4971 120.5095 64.3899 36.9432 178.2626 25 E 4.0808 8.3078 121.6590 60.3040 29.1838 180.1396 26 E 4.0915 8.4216 116.6020 60.5950 29.8113 180.2852 27 A 4.3970 7.7489 118.3609 53.7403 18.4500 178.3192 28 G 3.9615 7.7689 105.3351 45.0887 0.0000 173.6836 29 A 4.1137 7.5626 122.4753 52.2548 18.6753 179.0161 30 T 4.0492 8.6789 113.0114 63.7977 69.4117 174.4341 31 G 4.0075 7.6592 108.8127 45.6447 0.0000 171.3212 32 Y 5.0898 7.8798 115.6880 56.3893 40.5853 173.8942 33 T 4.8622 9.0338 117.8159 61.9892 71.5080 174.0030 34 V 4.7214 8.1678 123.2275 60.0850 34.5305 174.6674 35 V 4.4860 8.4294 122.8048 61.0697 35.2915 173.9234 36 D 5.1621 8.6262 126.0209 54.2100 41.8599 175.8106 37 T 4.6556 8.7525 111.9988 60.2803 72.8753 173.8295 38 G 4.2812 9.2202 111.8606 44.5448 0.0000 173.6712 39 G 4.8260 8.5059 118.4149 47.3240 0.0000 173.0029 *58 S 4.2813 7.1298 114.4167 58.5077 62.5228 171.2475 59 N 5.6994 8.5352 119.9144 51.3568 43.3927 175.3647 60 V 4.7969 8.8325 118.4025 60.0241 35.3474 174.3692 61 K 5.0065 9.1095 124.8861 54.8519 34.6912 174.5568 62 F 5.2649 9.4171 127.1073 56.2705 41.2799 174.8226 63 E 5.2080 9.3093 121.8381 54.6119 33.2624 175.1337 64 V 4.6394 8.8619 123.6553 61.2359 35.0913 173.9325 65 L 5.0617 8.7669 128.6257 54.1052 41.6993 176.3231 66 T 4.3394 8.8903 117.8665 60.8769 70.7663 176.0053 67 E 3.7862 9.1370 119.2813 58.3764 30.0022 177.7288 68 N 5.1880 7.4898 114.1957 50.0828 41.0012 174.4820 69 R 3.9425 8.7710 120.2179 60.3752 30.2030 178.8563 70 E 3.9278 8.3431 112.0773 57.0764 30.4281 180.1092 *72 A 4.3093 8.1564 123.6313 53.3032 20.5116 179.9328 73 E 4.0548 8.5266 118.0901 59.8844 29.4023 180.4246 74 K 3.9601 8.3378 124.1428 59.9004 31.8275 181.6256 75 I 3.8403 7.6763 120.7285 63.8875 37.0070 178.3026 76 A 3.8616 7.9201 121.6012 55.1886 18.1750 179.3414 77 D 4.2031 8.2595 117.6774 57.6546 40.9022 179.0434 78 Q 3.8610 7.9368 118.3438 58.9876 28.7327 179.3492 79 V 3.5843 7.7093 118.8139 65.7651 31.4840 177.9306 80 A 2.7443 7.5752 120.3872 54.9102 18.0314 179.5487 81 I 3.5715 7.4880 117.0599 64.5214 37.2682 178.3852 82 K 3.8283 7.4668 118.7193 58.5050 32.2545 177.4294 83 F 5.2656 8.1949 115.6200 57.7437 41.2802 176.6072 84 F 5.2186 8.9794 117.5155 58.4709 38.7722 176.0545 85 T 4.3812 7.9848 109.9904 62.2650 69.4708 175.0041 86 D 4.6879 8.0592 120.0165 54.3210 43.2155 175.4523 87 Y 4.9157 8.4992 115.5431 55.6623 41.7015 174.5472 88 A 4.2045 8.8634 125.1215 51.4837 19.3636 177.5933 89 G 3.8287 7.0042 109.1426 45.8698 0.0000 172.2403 90 I 5.0943 8.2345 114.4007 59.0144 41.4454 174.2426 91 I 5.2780 8.6077 123.6914 59.9678 40.6694 174.0636 92 Y 5.0563 8.5923 123.4563 55.8316 42.0439 173.5994 93 I 5.1279 8.5443 119.7141 59.7888 40.5221 174.9241 94 C 5.0724 8.9868 123.0205 57.8258 31.8783 173.2295 95 E 4.7269 8.8648 121.5652 56.2764 30.1187 176.0381 96 A 4.7790 9.0211 124.8991 50.0291 22.9607 174.5880 97 E 4.8666 8.6892 121.6046 54.2905 31.1892 175.5315 98 V 3.7885 8.6770 128.9731 63.0056 31.6307 175.4827 99 L 4.2286 8.6850 127.5257 56.2106 42.7244 176.5104 100 Y 4.7465 8.0713 113.1293 56.5080 41.8816 175.4072 101 G 3.6554 9.1986 110.7309 45.4376 0.0000 173.6363 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 3 K 8.17 4.38 0.00 1.47 1.77 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 4 R 8.60 4.51 0.00 2.03 1.89 0.00 3.23 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 5 A 10.09 4.79 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 6 N 8.24 4.96 0.00 2.84 2.75 0.00 0.00 7.00 8.21 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 7 K 9.16 4.67 0.00 1.81 1.91 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 8 L 9.09 4.59 0.00 1.74 1.60 0.94 0.72 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 9 V 8.74 4.68 0.68 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 0.77 0.00 0.00 0.77 0.00 0.00 10 I 8.67 4.95 1.94 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.54 0.99 0.00 0.00 11 V 8.77 4.84 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 1.06 0.00 0.00 1.02 0.00 0.00 12 T 8.54 5.03 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 1.27 0.00 0.00 13 E 8.68 4.54 0.00 1.97 1.83 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 2.42 2.49 0.00 14 K 8.44 3.90 0.00 1.74 1.79 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.38 7.81 15 V 7.73 3.60 1.99 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 0.75 0.00 0.00 0.75 0.00 0.00 16 L 7.70 4.05 0.00 1.50 1.08 0.45 -1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.93 4.22 0.00 1.92 1.69 0.87 0.82 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 18 K 7.95 4.04 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.10 7.81 19 K 7.83 4.14 0.00 1.66 1.90 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.60 1.66 7.81 20 V 7.98 3.37 1.49 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 0.15 0.00 0.00 0.69 0.00 0.00 21 A 8.17 3.52 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 3.94 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 23 I 7.49 3.88 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 0.86 0.00 0.00 24 I 7.50 3.56 1.63 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.90 0.00 0.00 25 E 8.31 4.08 0.00 2.19 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 2.51 2.61 0.00 26 E 8.42 4.09 0.00 2.03 1.87 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 2.26 2.20 0.00 27 A 7.75 4.40 1.36 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 0.00 0.00 28 G 7.77 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 29 A 7.56 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 4.05 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 1.23 0.00 0.00 31 G 7.66 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 0.00 0.00 0.00 32 Y 7.88 5.09 0.00 3.13 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 33 T 9.03 4.86 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 1.26 0.00 0.00 34 V 8.17 4.72 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 0.68 0.00 0.00 0.07 0.00 0.00 35 V 8.43 4.49 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 0.88 0.00 0.00 0.90 0.00 0.00 36 D 8.63 5.16 0.00 2.57 2.55 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 37 T 8.75 4.66 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 38 G 9.22 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 39 G 8.51 4.83 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 0.00 0.00 0.00 *58 S 7.13 4.28 0.00 3.94 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 59 N 8.54 5.70 0.00 2.82 2.76 0.00 0.00 6.55 6.96 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 60 V 8.83 4.80 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 0.80 0.00 0.00 0.70 0.00 0.00 61 K 9.11 5.01 0.00 1.78 1.65 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.40 7.81 62 F 9.42 5.26 0.00 2.95 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 63 E 9.31 5.21 0.00 1.92 1.84 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 2.22 2.24 0.00 64 V 8.86 4.64 2.09 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 0.92 0.00 0.00 0.98 0.00 0.00 65 L 8.77 5.06 0.00 1.59 1.63 0.95 0.94 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 66 T 8.89 4.34 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 67 E 9.14 3.79 0.00 2.01 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 2.23 1.88 0.00 68 N 7.49 5.19 0.00 2.76 2.80 0.00 0.00 5.94 7.66 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 69 R 8.77 3.94 0.00 1.91 1.97 0.00 3.26 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 70 E 8.34 3.93 0.00 1.93 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 1.91 0.00 *72 A 8.16 4.31 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 4.05 0.00 2.13 1.99 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 2.32 2.44 0.00 74 K 8.34 3.96 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 75 I 7.68 3.84 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.77 0.00 0.00 76 A 7.92 3.86 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 77 D 8.26 4.20 0.00 2.75 2.67 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 78 Q 7.94 3.86 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 79 V 7.71 3.58 1.84 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 0.94 0.00 0.00 0.83 0.00 0.00 80 A 7.58 2.74 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.57 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.84 0.00 0.00 82 K 7.47 3.83 0.00 1.72 1.12 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.35 7.81 83 F 8.19 5.27 0.00 3.49 3.30 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 84 F 8.98 5.22 0.00 3.02 3.15 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 85 T 7.98 4.38 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 1.26 0.00 0.00 86 D 8.06 4.69 0.00 2.52 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 0.00 0.00 0.00 0.00 87 Y 8.50 4.92 0.00 3.22 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 88 A 8.86 4.20 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 89 G 7.00 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 0.00 0.00 0.00 90 I 8.23 5.09 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.94 0.00 0.00 91 I 8.61 5.28 1.95 0.00 0.00 0.59 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 1.03 0.89 0.00 0.00 92 Y 8.59 5.06 0.00 2.96 3.01 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 93 I 8.54 5.13 1.93 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 1.35 0.71 0.98 0.00 0.00 94 C 8.99 5.07 0.00 2.91 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 95 E 8.86 4.73 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 2.33 2.34 0.00 96 A 9.02 4.78 1.21 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 0.00 0.00 97 E 8.69 4.87 0.00 1.96 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 2.16 2.25 0.00 98 V 8.68 3.79 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 0.79 0.00 0.00 0.94 0.00 0.00 99 L 8.68 4.23 0.00 1.63 1.44 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.07 4.75 0.00 2.92 2.77 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 0.00 101 G 9.20 3.66 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.