NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6336 8.1476 118.3356 54.9295 33.3517 174.1926 2 V 4.1798 8.2295 118.8217 61.4692 32.7901 173.5039 3 K 4.9846 10.0027 121.6819 55.4796 38.2358 176.1190 4 I 5.0273 8.0328 121.0478 59.9598 40.3991 175.4617 5 R 4.8546 8.6949 122.6052 56.6236 33.2866 173.2333 6 L 4.9990 8.5765 119.4647 53.6269 42.5959 176.8115 7 A 4.4655 9.1212 128.4960 50.6433 19.4985 176.7106 8 R 4.0493 8.5109 122.4576 57.4163 31.2090 175.1495 9 F 4.5276 8.2145 120.8076 57.2297 43.3846 173.1922 10 G 4.0076 8.7779 109.8974 44.7335 0.0000 173.4553 11 S 4.1120 8.3087 115.7490 57.5000 63.6926 174.2927 12 K 4.0849 8.2867 122.6852 58.3246 32.2018 176.3306 13 H 4.2615 8.9727 121.0309 56.5219 26.5135 174.6470 14 N 5.0610 7.9824 115.6148 51.2672 38.7348 172.4104 15 P 4.1747 0.0000 0.0000 64.0349 32.7445 176.6799 16 H 4.6010 7.7893 112.6006 54.0026 30.3672 173.6450 17 Y 4.6276 7.5678 117.3157 58.5886 39.7937 176.7664 18 R 4.7672 9.3138 120.5308 54.7680 33.7650 174.5027 19 I 4.6610 8.4389 127.3186 60.8154 37.4337 175.1680 20 V 4.7464 8.6545 126.2215 59.8747 35.5674 174.5454 21 V 5.2460 8.4957 115.1484 59.5586 33.6557 175.4497 22 T 4.9305 7.9174 113.9515 60.5017 72.8367 171.4924 23 D 4.8201 8.6981 120.8932 53.5829 41.6880 177.2155 24 A 3.3755 8.6679 130.1685 55.0772 18.5664 178.1135 25 R 4.4364 7.7316 112.1305 56.0657 30.4712 176.9461 26 R 4.2017 8.6281 119.1755 55.5462 30.8788 176.1299 27 K 4.2381 8.8221 119.0122 56.8171 33.3691 177.8801 28 R 3.0995 7.3179 116.7356 58.5183 32.3196 175.6974 29 D 4.6445 7.9275 120.7910 54.2866 41.8005 177.4584 30 G 3.9748 7.9016 115.2180 45.4749 0.0000 173.5170 31 K 4.2272 8.5887 124.5030 55.1500 33.1870 175.9355 32 Y 4.8664 7.7203 124.1723 55.0054 40.1189 175.3601 33 I 3.9425 8.4931 125.5783 64.0742 37.5637 176.0402 34 E 4.8823 7.8026 120.9313 54.8715 33.0896 173.2749 35 K 4.3196 8.8466 128.5994 55.4460 33.1292 176.2218 36 I 4.7390 9.7135 121.2247 58.5317 39.3351 175.6695 37 G 4.0150 7.4318 110.9577 46.3676 0.0000 170.9121 38 Y 5.2949 7.3467 116.6363 56.3132 42.3302 173.9303 39 Y 5.1651 8.7661 120.6317 57.2993 42.5986 172.9603 40 D 4.6915 9.6708 129.3454 51.9337 41.5254 175.1451 41 P 5.2018 0.0000 0.0000 64.1729 31.5382 177.3766 42 R 4.2420 8.3202 117.4599 55.7833 30.9363 176.9073 43 K 4.0088 8.5052 117.0529 57.2667 30.2016 176.4303 44 T 4.3243 7.4747 103.3924 62.1148 68.1405 174.0552 45 T 4.7352 8.3704 118.6521 61.8777 72.4000 173.2950 46 P 4.5321 0.0000 0.0000 64.2764 31.3181 177.0624 47 D 4.9600 8.3974 118.7063 53.4840 42.4644 174.8706 48 W 4.5656 9.0419 121.3672 59.3085 29.7055 177.5800 49 L 4.7361 6.2022 121.3299 52.9322 43.4454 175.1539 50 K 3.9406 7.6049 121.3262 56.0920 36.4261 174.2707 51 V 4.6986 8.1986 126.9228 61.8382 32.6736 172.0838 52 D 4.2901 8.6477 126.8604 55.2017 41.6605 177.0194 53 V 4.0582 8.4420 117.9303 62.8777 32.6855 177.8340 54 E 3.9622 8.2729 117.2124 59.7073 29.4673 179.4314 55 R 4.0093 8.3372 117.4054 59.2565 30.2672 178.5600 56 A 4.1728 7.6896 119.1764 55.6831 18.1342 179.9458 57 R 3.7908 8.5566 116.5896 59.5089 30.1597 178.4349 58 Y 3.9167 8.0895 120.9009 60.0369 38.5842 178.0237 59 W 4.3169 8.0590 118.1613 60.0319 29.2680 178.1245 60 L 4.2259 7.7609 118.0637 57.6176 41.4220 179.2097 61 S 4.1990 8.2597 114.7299 60.1672 63.7019 174.8104 62 V 4.3208 7.1558 113.9992 60.4561 31.2544 174.6000 63 G 3.7821 7.9543 108.1733 46.3778 0.0000 172.7684 64 A 4.5853 8.5774 127.7946 51.6008 19.6766 176.3738 65 Q 3.8061 7.9855 119.9593 56.2445 28.7826 176.0807 66 P 4.9409 0.0000 0.0000 60.7604 32.9979 175.4024 67 T 3.9520 8.0143 110.6043 62.0462 68.5718 173.5261 68 D 4.4146 8.0646 120.8242 57.1535 40.5151 178.1768 69 T 3.8593 7.7963 115.8156 64.1890 68.0540 175.3150 70 A 4.3052 7.5734 121.5695 55.3575 19.5791 178.7920 71 R 3.9430 8.3781 117.4072 60.1641 29.9179 177.8567 72 R 3.7722 8.2280 117.9639 59.8556 28.6842 178.0757 73 L 3.6490 7.8853 117.8746 58.0730 41.7451 179.6281 74 L 4.2861 7.8864 118.3506 57.1621 40.9766 179.4547 75 R 4.3510 8.1777 118.9735 59.5016 30.0482 177.9270 76 Q 4.1794 8.5374 115.2682 57.1655 28.8247 175.8040 77 A 4.4011 6.8480 119.5517 51.4101 19.9574 175.4094 78 G 3.8530 9.3310 110.6637 46.7028 0.0000 173.7653 79 V 4.1803 8.0698 121.3109 61.7746 33.3862 176.2069 80 F 4.6722 8.0100 115.9362 58.1067 40.6490 176.0509 81 R 4.1553 7.9872 119.7089 57.0185 30.1463 175.6819 82 Q 4.5906 8.2136 115.4261 54.7310 33.5743 177.4590 83 E 3.4857 8.6937 117.5573 57.3443 28.3066 174.1127 *84 A 4.1104 9.2004 129.2792 53.1640 18.9361 177.7365 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 1 M 8.15 4.63 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 2 V 8.23 4.18 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 0.75 0.00 0.00 0.84 0.00 0.00 3 K 10.00 4.98 0.00 1.61 1.69 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.42 7.81 4 I 8.03 5.03 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.01 0.92 0.00 0.00 5 R 8.69 4.85 0.00 1.86 2.04 0.00 3.05 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 6 L 8.58 5.00 0.00 1.59 1.93 1.02 0.33 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 7 A 9.12 4.47 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.51 4.05 0.00 1.64 1.58 0.00 3.06 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.00 9 F 8.21 4.53 0.00 3.09 2.89 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 10 G 8.78 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 11 S 8.31 4.11 0.00 3.90 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 12 K 8.29 4.08 0.00 1.64 1.65 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.03 1.30 7.81 13 H 8.97 4.26 0.00 3.37 3.40 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.98 5.06 0.00 2.67 2.92 0.00 0.00 7.06 6.97 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 15 P 0.00 4.17 0.00 2.10 1.89 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 16 H 7.79 4.60 0.00 3.17 3.27 0.00 5.93 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.57 4.63 0.00 2.98 3.05 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 18 R 9.31 4.77 0.00 2.01 1.83 0.00 2.80 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 19 I 8.44 4.66 1.98 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 1.36 0.78 0.91 0.00 0.00 20 V 8.65 4.75 1.54 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 0.69 0.00 0.00 0.60 0.00 0.00 21 V 8.50 5.25 1.40 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 0.38 0.00 0.00 0.18 0.00 0.00 22 T 7.92 4.93 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 1.35 0.00 0.00 23 D 8.70 4.82 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.67 3.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.73 4.44 0.00 1.83 1.96 0.00 3.17 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 26 R 8.63 4.20 0.00 1.80 1.88 0.00 3.56 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 27 K 8.82 4.24 0.00 1.92 1.92 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.41 7.81 28 R 7.32 3.10 0.00 1.81 1.72 0.00 3.28 0.00 0.00 3.24 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 29 D 7.93 4.64 0.00 2.56 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 30 G 7.90 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 0.00 0.00 0.00 31 K 8.59 4.23 0.00 1.67 1.70 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.29 7.81 32 Y 7.72 4.87 0.00 2.99 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 I 8.49 3.94 1.69 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 1.09 0.63 0.86 0.00 0.00 34 E 7.80 4.88 0.00 2.23 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 2.44 2.48 0.00 35 K 8.85 4.32 0.00 1.29 1.70 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.26 7.81 36 I 9.71 4.74 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 1.13 0.00 0.00 37 G 7.43 4.02 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 0.00 38 Y 7.35 5.29 0.00 3.13 2.98 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 39 Y 8.77 5.17 0.00 2.95 2.91 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 40 D 9.67 4.69 0.00 2.94 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 41 P 0.00 5.20 0.00 2.29 2.09 0.00 3.30 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 42 R 8.32 4.24 0.00 1.93 1.98 0.00 3.27 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 43 K 8.51 4.01 0.00 1.39 0.97 0.00 1.23 0.00 0.00 1.12 0.00 0.00 2.23 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.88 7.81 44 T 7.47 4.32 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 1.26 0.00 0.00 45 T 8.37 4.74 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 1.35 0.00 0.00 46 P 0.00 4.53 0.00 2.25 2.22 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 47 D 8.40 4.96 0.00 2.75 2.70 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 48 W 9.04 4.57 0.00 3.95 3.39 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 49 L 6.20 4.74 0.00 0.65 0.52 0.68 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.60 3.94 0.00 1.38 0.74 0.00 1.25 0.00 0.00 1.29 0.00 0.00 2.69 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.97 1.14 7.81 51 V 8.20 4.70 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 0.89 0.00 0.00 0.82 0.00 0.00 52 D 8.65 4.29 0.00 2.79 2.56 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 0.00 0.00 0.00 0.00 53 V 8.44 4.06 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 0.78 0.00 0.00 0.87 0.00 0.00 54 E 8.27 3.96 0.00 2.04 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 2.29 2.34 0.00 55 R 8.34 4.01 0.00 1.93 2.20 0.00 3.28 0.00 0.00 3.51 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 56 A 7.69 4.17 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 57 R 8.56 3.79 0.00 1.99 1.96 0.00 3.23 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 58 Y 8.09 3.92 0.00 2.76 2.81 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 59 W 8.06 4.32 0.00 3.40 3.29 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 0.00 60 L 7.76 4.23 0.00 1.76 1.77 0.95 1.45 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 61 S 8.26 4.20 0.00 3.91 4.19 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 62 V 7.16 4.32 1.97 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 0.55 0.00 0.00 0.33 0.00 0.00 63 G 7.95 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 0.00 0.00 0.00 64 A 8.58 4.59 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 65 Q 7.99 3.81 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 66 P 0.00 4.94 0.00 2.23 2.09 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 67 T 8.01 3.95 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 1.22 0.00 0.00 68 D 8.06 4.41 0.00 2.70 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 69 T 7.80 3.86 4.23 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 1.20 0.00 0.00 70 A 7.57 4.31 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.38 3.94 0.00 1.91 2.13 0.00 3.02 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 72 R 8.23 3.77 0.00 1.87 1.83 0.00 3.16 0.00 0.00 3.14 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 73 L 7.89 3.65 0.00 1.77 1.52 0.88 -0.19 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 74 L 7.89 4.29 0.00 2.23 1.59 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.18 4.35 0.00 2.00 2.12 0.00 3.07 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 76 Q 8.54 4.18 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 77 A 6.85 4.40 1.14 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 0.00 0.00 0.00 0.00 0.00 78 G 9.33 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 79 V 8.07 4.18 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 0.37 0.00 0.00 0.81 0.00 0.00 80 F 8.01 4.67 0.00 3.01 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 81 R 7.99 4.16 0.00 1.80 1.87 0.00 3.23 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 82 Q 8.21 4.59 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.03 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 83 E 8.69 3.49 0.00 2.12 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 *84 A 9.20 4.11 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 * Residues marked with a * may have inaccurate shift predictions.