NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6383 8.1476 118.3373 54.6780 33.5210 174.2979 2 V 3.6708 8.3515 120.5262 62.0513 32.5504 173.9480 3 K 5.1115 9.7796 126.7598 53.8394 36.4728 175.7701 4 I 5.0223 7.9340 120.1642 60.5546 41.0379 175.1369 5 R 4.7712 8.9001 123.5808 55.8627 32.7224 173.2169 6 L 5.2071 8.6395 117.7516 53.5863 44.4037 176.5737 7 A 4.5101 8.6048 123.2568 49.9720 21.7457 175.6313 8 R 3.5526 8.2806 122.0532 57.2966 30.5358 176.1646 9 F 4.1674 8.4646 124.8101 53.3327 44.4614 175.0598 10 G 3.7767 9.4738 116.4205 48.0224 0.0000 173.1615 11 S 4.4611 8.4843 119.5641 57.1397 64.0116 172.3022 12 K 4.0809 8.6274 123.4733 58.1145 32.5280 177.6907 13 H 4.4124 9.0881 121.9372 56.7453 26.0499 174.6300 14 N 5.1143 7.6015 115.8130 51.3003 39.0094 172.4176 15 P 4.4367 0.0000 0.0000 64.1420 32.6609 177.6703 16 H 4.8541 8.7853 120.3027 54.9787 31.5986 172.7292 17 Y 4.9899 9.0177 121.4568 57.2418 39.6874 175.2824 18 R 4.5445 8.6724 120.1096 55.8358 32.4239 174.1025 19 I 4.8591 8.5654 128.1606 61.4647 38.3422 175.8154 20 V 4.2794 8.0961 123.5152 61.0494 34.8074 172.5738 21 V 4.9179 7.6749 121.9880 59.9344 31.9683 174.6550 22 T 4.7236 8.0135 120.6478 60.0808 71.7355 171.9807 23 D 4.6911 9.2714 123.6203 54.5249 41.4420 179.0425 24 A 3.5267 8.2649 127.8313 54.5732 19.9821 178.3089 25 R 3.9636 7.5977 112.9278 59.1187 30.3474 177.6436 26 R 4.0911 8.1168 116.5385 55.9193 30.7507 175.8029 27 K 4.3556 8.1406 117.1154 55.7732 34.0277 177.3982 28 R 3.8232 8.5815 120.5135 59.7749 29.7582 177.6884 29 D 4.8217 7.7357 114.2566 53.9169 41.8871 179.3632 30 G 3.8226 7.5695 111.2502 45.3955 0.0000 176.2657 31 K 4.0525 8.2869 124.1909 54.6819 31.2105 176.1018 32 Y 4.4544 7.4135 123.0726 56.3810 39.0247 176.3936 33 I 3.9508 8.2590 122.4709 64.3029 38.0246 176.4489 34 E 4.4532 7.2871 118.0427 54.9495 32.9011 174.9730 35 K 3.7213 8.4775 129.8068 56.5820 32.2684 175.8490 36 I 4.0585 7.9912 120.9956 62.6574 38.1230 176.0011 37 G 4.1642 7.8407 108.1885 43.4617 0.0000 168.4735 38 Y 5.6019 6.9051 117.3906 57.5010 40.8318 172.7807 39 Y 4.5930 7.7311 117.7048 60.1486 41.8301 173.4250 40 D 5.2445 6.0500 131.3947 53.8863 42.8410 176.2166 41 P 4.3486 0.0000 0.0000 64.2349 31.3713 177.3037 42 R 4.2412 8.7430 118.4526 55.7451 30.5789 176.8104 43 K 4.0191 8.1016 116.9581 57.2292 30.2930 176.6660 44 T 4.0330 7.5918 107.7138 63.5443 68.9614 173.8127 45 T 4.7371 7.6342 117.2966 59.3241 70.3222 172.7482 46 P 4.4720 0.0000 0.0000 65.1233 31.7826 176.5036 47 D 5.1271 8.0983 119.9113 53.4232 41.2037 177.8791 48 W 4.3732 8.0910 116.0138 58.0338 28.3117 175.0046 49 L 4.3257 7.9759 118.7982 54.8500 45.0622 173.3327 50 K 4.2084 7.6896 122.1331 56.0019 35.4761 174.0177 51 V 4.1617 7.7389 123.4224 62.6353 35.0210 173.8481 52 D 4.6150 8.3753 119.2927 51.0832 41.7331 175.1839 53 V 3.5813 8.2974 118.0511 64.1567 31.5018 177.1121 54 E 3.9049 8.2639 116.6592 59.7273 29.5293 179.3070 55 R 4.1864 7.8723 116.4199 58.9345 30.5057 178.4366 56 A 4.0522 8.3481 120.9558 55.5399 17.9959 179.7068 57 R 3.7930 8.3536 116.6698 60.0591 30.4166 177.0089 58 Y 3.7019 8.4566 119.7832 59.2515 38.5389 177.4645 59 W 4.8173 8.4231 120.2500 60.3536 29.5607 178.4119 60 L 4.2308 7.9601 119.0811 57.5901 40.8795 179.3768 61 S 4.0876 8.4420 113.7159 60.4950 63.1163 175.7719 62 V 4.5743 7.3269 114.6951 60.2844 32.3851 175.6835 63 G 3.8392 7.8183 109.8725 46.1517 0.0000 173.4833 64 A 4.7828 8.6537 124.5060 51.2888 22.0492 176.8683 65 Q 3.3386 7.4594 110.4515 55.2628 26.9951 174.2605 66 P 4.6144 0.0000 0.0000 61.6029 32.9510 175.5709 67 T 4.0037 8.0876 115.4044 63.8319 68.5129 174.6664 68 D 4.3631 8.2167 121.6141 57.7702 40.5602 178.4622 69 T 3.9420 7.6763 113.5565 63.9308 67.7776 175.6428 70 A 4.0889 7.6996 122.6900 55.5864 18.9068 179.6632 71 R 4.0799 8.1202 114.1965 59.2595 29.1357 178.8997 72 R 3.8165 7.8819 119.2727 59.2725 29.9792 177.5155 73 L 4.2614 7.6877 115.3251 55.6841 41.9881 178.1704 74 L 4.3533 7.8978 120.0197 56.6756 41.3208 178.9814 75 R 4.3510 7.9606 117.7726 58.8011 30.1783 177.8792 76 Q 4.2564 7.6079 115.2632 57.1598 28.8749 176.3530 77 A 4.3944 7.6075 117.4964 51.8043 21.2395 176.8217 78 G 3.8464 9.3961 101.1719 47.2086 0.0000 173.9589 79 V 4.3326 8.2450 121.7835 62.1195 33.3248 176.1593 80 F 4.3849 8.5394 116.5700 58.8227 39.5605 176.0475 81 R 4.0020 8.2389 121.3525 56.6616 29.9291 175.6469 82 Q 4.4706 8.6673 121.9879 55.3305 29.2904 175.6860 83 E 3.8496 8.2636 122.8080 57.7842 28.1263 174.1702 *84 A 4.1104 7.8381 123.3114 52.3917 18.9361 176.1449 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 4.64 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 2 V 8.35 3.67 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 0.99 0.00 0.00 0.84 0.00 0.00 3 K 9.78 5.11 0.00 1.65 1.77 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 4 I 7.93 5.02 1.87 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 1.35 0.76 0.87 0.00 0.00 5 R 8.90 4.77 0.00 1.85 2.04 0.00 2.76 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 6 L 8.64 5.21 0.00 1.79 2.18 0.85 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.60 4.51 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 8 R 8.28 3.55 0.00 1.14 1.52 0.00 3.09 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 9 F 8.46 4.17 0.00 3.18 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 10 G 9.47 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 11 S 8.48 4.46 0.00 3.87 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 12 K 8.63 4.08 0.00 1.76 1.68 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.34 7.81 13 H 9.09 4.41 0.00 3.39 3.40 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.60 5.11 0.00 2.85 2.80 0.00 0.00 7.21 7.59 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 15 P 0.00 4.44 0.00 2.26 2.45 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 16 H 8.79 4.85 0.00 3.26 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.02 4.99 0.00 3.17 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 18 R 8.67 4.54 0.00 1.95 2.11 0.00 3.40 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 19 I 8.57 4.86 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.28 0.90 0.00 0.00 20 V 8.10 4.28 1.77 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 0.96 0.00 0.00 0.35 0.00 0.00 21 V 7.67 4.92 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 -0.15 0.00 0.00 -0.11 0.00 0.00 22 T 8.01 4.72 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 1.22 0.00 0.00 23 D 9.27 4.69 0.00 2.74 2.54 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 24 A 8.26 3.53 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 25 R 7.60 3.96 0.00 1.84 2.02 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 26 R 8.12 4.09 0.00 1.82 1.90 0.00 3.17 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 27 K 8.14 4.36 0.00 1.88 1.89 0.00 1.50 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.36 7.81 28 R 8.58 3.82 0.00 1.76 1.96 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 29 D 7.74 4.82 0.00 2.49 2.27 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 30 G 7.57 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 31 K 8.29 4.05 0.00 1.64 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 32 Y 7.41 4.45 0.00 2.91 2.94 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 33 I 8.26 3.95 1.63 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 1.08 0.61 0.77 0.00 0.00 34 E 7.29 4.45 0.00 1.95 1.56 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 2.10 2.21 0.00 35 K 8.48 3.72 0.00 1.15 1.46 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.28 7.81 36 I 7.99 4.06 1.82 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 1.11 0.66 0.96 0.00 0.00 37 G 7.84 4.16 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 0.00 0.00 0.00 38 Y 6.91 5.60 0.00 2.92 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 39 Y 7.73 4.59 0.00 2.81 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 40 D 6.05 5.24 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 41 P 0.00 4.35 0.00 2.28 2.27 0.00 3.99 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 2.06 2.11 0.00 42 R 8.74 4.24 0.00 1.99 2.00 0.00 3.30 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 43 K 8.10 4.02 0.00 1.76 1.49 0.00 1.69 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.30 1.47 7.81 44 T 7.59 4.03 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 45 T 7.63 4.74 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 1.35 0.00 0.00 46 P 0.00 4.47 0.00 2.28 2.21 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 47 D 8.10 5.13 0.00 2.86 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 48 W 8.09 4.37 0.00 3.59 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.33 0.00 0.63 0.68 0.88 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.69 4.21 0.00 0.93 0.74 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.09 7.81 51 V 7.74 4.16 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 0.67 0.00 0.00 0.80 0.00 0.00 52 D 8.38 4.61 0.00 2.63 2.43 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 0.00 0.00 0.00 0.00 53 V 8.30 3.58 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 0.72 0.00 0.00 0.91 0.00 0.00 54 E 8.26 3.90 0.00 2.05 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 0.00 2.37 2.37 0.00 55 R 7.87 4.19 0.00 1.86 2.08 0.00 3.28 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 56 A 8.35 4.05 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 57 R 8.35 3.79 0.00 1.81 1.96 0.00 3.23 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 58 Y 8.46 3.70 0.00 2.87 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.42 4.82 0.00 3.51 3.33 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 60 L 7.96 4.23 0.00 1.83 1.66 0.72 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.44 4.09 0.00 3.80 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 62 V 7.33 4.57 2.13 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 0.60 0.00 0.00 1.01 0.00 0.00 63 G 7.82 3.84 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 0.00 0.00 0.00 64 A 8.65 4.78 1.45 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 65 Q 7.46 3.34 0.00 2.28 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 66 P 0.00 4.61 0.00 2.22 2.11 0.00 3.87 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 2.06 0.00 67 T 8.09 4.00 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 1.21 0.00 0.00 68 D 8.22 4.36 0.00 2.67 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 69 T 7.68 3.94 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 1.16 0.00 0.00 70 A 7.70 4.09 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 71 R 8.12 4.08 0.00 2.27 2.33 0.00 2.79 0.00 0.00 3.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 72 R 7.88 3.82 0.00 2.00 1.99 0.00 3.17 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 73 L 7.69 4.26 0.00 1.59 1.52 -0.17 0.67 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 74 L 7.90 4.35 0.00 2.35 1.85 0.95 0.93 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 75 R 7.96 4.35 0.00 1.78 1.93 0.00 3.00 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.97 0.00 76 Q 7.61 4.26 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 77 A 7.61 4.39 1.17 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 0.00 0.00 0.00 78 G 9.40 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 8.24 4.33 1.61 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 0.62 0.00 0.00 0.93 0.00 0.00 80 F 8.54 4.38 0.00 2.98 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 81 R 8.24 4.00 0.00 1.84 1.91 0.00 3.24 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 82 Q 8.67 4.47 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 5.92 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 83 E 8.26 3.85 0.00 2.15 2.13 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 2.21 2.24 0.00 *84 A 7.84 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.