NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7104 8.4201 119.2041 53.5320 40.5626 172.8193 0 A 4.6607 8.0779 131.2794 49.6917 20.5001 171.1298 2 E 4.7439 8.7364 110.6329 55.7740 34.3807 174.1318 3 V 3.9753 8.4869 122.7152 64.0280 31.3590 175.5726 4 T 4.2338 9.4931 127.0060 65.7796 69.5698 175.1151 5 D 4.5901 7.6375 118.6552 53.0811 44.8778 174.5529 6 V 4.6907 8.3810 124.6315 61.2728 34.1268 174.1976 7 R 4.5323 8.3692 129.5936 54.9029 31.3879 174.8269 8 L 5.2409 8.4818 127.3709 53.2481 45.8466 175.3476 9 R 4.5700 9.1028 125.0671 54.3918 32.6753 174.7378 10 R 4.5995 8.6847 125.9753 56.2685 31.0589 176.4058 11 V 4.4126 9.4173 123.3837 61.2239 34.4891 174.5597 12 N 4.7601 8.9090 125.7705 52.3516 38.8663 174.4536 13 T 4.6985 8.0392 112.3473 60.0936 72.5869 173.9085 14 D 4.6759 8.4737 123.3739 52.7324 39.8034 174.6290 15 G 4.0879 7.0652 106.6675 44.7333 0.0000 171.9526 16 R 4.0864 8.1739 116.5839 55.6723 27.1857 177.6330 *18 R 4.5693 7.8541 121.4614 56.1015 33.3683 175.4785 19 A 4.9806 7.8476 118.1384 50.5060 23.6348 174.9057 20 I 4.9745 8.8919 119.0126 59.2157 41.1165 174.3515 21 A 5.3959 9.5917 130.9555 50.1386 22.8534 174.2439 22 S 5.2869 9.2860 113.4528 56.6999 66.9945 172.7908 23 I 4.8630 8.3876 112.4040 59.9516 41.4882 173.8990 24 T 5.0985 8.7293 118.3900 61.8594 72.4355 173.0393 25 L 4.9836 9.3984 126.2383 53.9207 44.1340 176.5628 26 D 4.3690 9.3800 122.4808 55.8271 39.1231 173.9793 27 H 4.2019 7.8424 109.7798 56.6359 27.0891 175.7269 28 E 4.6812 8.9456 117.5333 55.7144 33.0095 175.3194 29 F 4.8165 8.2089 120.8396 56.1189 42.3905 173.8076 30 V 4.6253 7.4388 125.4205 60.9925 33.7929 174.7129 31 V 4.2740 8.4336 126.7772 61.6034 34.1651 174.6715 32 H 4.7508 8.7981 124.7765 53.9242 31.1882 173.7322 33 D 4.2376 8.3752 115.2140 56.0101 38.7348 174.1283 34 I 4.6019 7.6390 120.2268 59.8693 40.0860 176.5517 35 R 4.8629 8.4382 126.9658 54.6413 32.1936 175.9213 36 V 4.1030 8.2267 123.9960 62.1327 33.0932 174.7101 37 I 4.5156 8.3293 128.3537 59.2525 40.7255 174.1076 38 D 4.7905 9.1694 127.6671 53.5575 41.4940 175.7514 39 G 4.4097 8.7227 114.8843 43.2855 0.0000 173.0932 40 N 4.6254 8.8117 116.6385 55.5529 38.5768 175.3653 41 N 4.9340 8.0868 115.1554 53.0505 40.1358 173.8481 42 G 3.8691 8.5616 104.6344 43.8945 0.0000 173.4932 43 L 4.7487 8.0432 118.4091 55.0435 42.2654 176.9731 44 F 4.9693 9.0873 116.4336 55.8035 41.8784 172.8512 45 V 4.5218 8.5569 119.5606 61.6039 33.0889 174.8743 46 A 4.9436 8.8957 130.8334 49.5529 22.5789 172.9410 *48 P 4.5305 0.0000 0.0000 63.0328 32.8969 175.9208 49 S 5.3967 8.6663 115.7016 56.5095 67.0764 172.5523 50 K 4.7393 8.9586 120.2162 54.6754 35.0476 175.0198 51 R 5.4334 8.6699 124.9673 53.3569 33.5329 174.7567 *54 D 4.2234 8.3119 119.8847 52.9020 38.8702 173.8275 55 G 3.8547 7.3807 117.3881 45.2995 0.0000 170.6052 56 E 3.8185 7.4474 113.5062 55.8669 30.3205 177.0197 57 F 5.6188 8.3094 119.3029 54.3405 40.0503 173.4935 58 R 4.7684 7.8305 122.4099 53.7371 32.7924 175.8958 59 D 4.9709 8.5303 120.6003 54.8652 41.4318 176.5977 60 I 4.1542 8.3989 122.3242 62.3276 38.0138 176.2900 61 T 4.4910 7.7910 115.4771 61.8712 70.6557 172.7064 62 H 4.7893 8.6645 126.0448 53.2631 32.1807 171.2506 63 P 4.3058 0.0000 0.0000 62.1989 31.6655 177.4877 64 I 3.8146 8.3245 123.7007 63.6452 38.3800 175.0315 65 N 4.9940 7.7087 114.6908 50.0233 40.3233 175.2913 66 S 4.1330 8.8302 115.0989 61.8770 62.6398 176.9715 67 S 4.0555 8.0238 117.2000 61.4552 62.6868 176.2140 68 T 3.8146 8.4739 117.0991 64.6961 67.0682 175.9893 69 R 3.9790 8.1806 120.8453 59.4163 30.1981 178.3882 70 G 3.8212 8.5795 106.1614 47.7715 0.0000 175.1376 71 K 4.2821 7.9119 119.4128 58.1654 33.0604 179.2604 72 I 3.6856 7.4660 121.6460 64.5028 37.2328 177.5081 73 Q 3.9629 8.1351 120.3486 59.6852 28.7243 179.0285 74 D 4.3067 8.0733 118.6941 57.4161 41.0959 178.3601 75 A 4.0652 7.7686 120.8355 55.4501 18.2670 179.7578 76 V 3.5476 7.9727 116.5235 66.0787 31.7507 178.0318 77 L 4.0581 8.0980 118.5964 58.1851 41.5150 179.2942 78 N 4.3409 8.7159 116.5813 56.3784 38.4646 176.6552 79 E 3.9426 8.1311 119.9076 59.8753 29.6478 177.9909 80 Y 4.0505 8.5494 119.4126 61.4632 38.6146 178.0236 81 H 4.0916 8.4420 116.4340 58.9243 28.7398 177.5556 82 R 3.8692 8.2322 119.5266 59.5409 29.8241 177.9621 83 L 4.1521 7.8161 118.9843 58.0888 42.2998 178.7588 84 G 3.6992 7.4375 101.1285 45.3498 0.0000 173.8467 85 D 5.0308 7.6270 120.7223 53.6413 41.7920 176.4884 86 T 4.1809 7.5488 120.7209 64.0328 69.6638 174.2254 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 N 8.42 4.71 0.00 2.68 2.80 0.00 0.00 6.73 7.08 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 A 8.08 4.66 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 2 E 8.74 4.74 0.00 2.03 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 2.18 2.21 0.00 3 V 8.49 3.98 2.08 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 0.79 0.00 0.00 0.94 0.00 0.00 4 T 9.49 4.23 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 1.12 0.00 0.00 5 D 7.64 4.59 0.00 2.75 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 6 V 8.38 4.69 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 0.89 0.00 0.00 0.94 0.00 0.00 7 R 8.37 4.53 0.00 1.92 1.77 0.00 3.08 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 8 L 8.48 5.24 0.00 1.66 1.48 1.05 1.02 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 9 R 9.10 4.57 0.00 1.88 1.75 0.00 3.19 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 10 R 8.68 4.60 0.00 1.71 1.85 0.00 2.86 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 11 V 9.42 4.41 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 0.78 0.00 0.00 0.96 0.00 0.00 12 N 8.91 4.76 0.00 2.75 2.76 0.00 0.00 6.84 7.54 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 13 T 8.04 4.70 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 14 D 8.47 4.68 0.00 2.69 2.68 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 0.00 0.00 0.00 0.00 15 G 7.07 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 16 R 8.17 4.09 0.00 1.74 2.09 0.00 3.18 0.00 0.00 3.41 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 *18 R 7.85 4.57 0.00 1.86 1.81 0.00 3.20 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 19 A 7.85 4.98 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 20 I 8.89 4.97 1.86 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 1.17 1.24 0.92 0.00 0.00 21 A 9.59 5.40 1.25 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 0.00 0.00 22 S 9.29 5.29 0.00 3.66 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 23 I 8.39 4.86 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.91 0.00 0.00 24 T 8.73 5.10 4.22 0.00 0.00 0.00 0.00 0.00 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 25 L 9.40 4.98 0.00 1.68 1.61 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.38 4.37 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.84 4.20 0.00 3.35 3.41 0.00 5.80 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.95 4.68 0.00 1.97 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 2.47 0.00 29 F 8.21 4.82 0.00 3.05 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 30 V 7.44 4.63 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 0.58 0.00 0.00 0.83 0.00 0.00 31 V 8.43 4.27 2.08 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 0.96 0.00 0.00 1.04 0.00 0.00 32 H 8.80 4.75 0.00 3.06 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.38 4.24 0.00 2.82 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 34 I 7.64 4.60 2.01 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 1.23 0.88 0.89 0.00 0.00 35 R 8.44 4.86 0.00 1.69 1.69 0.00 3.09 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 36 V 8.23 4.10 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.77 0.00 0.00 37 I 8.33 4.52 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.26 0.66 0.00 0.00 38 D 9.17 4.79 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.41 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 0.00 40 N 8.81 4.63 0.00 2.73 2.92 0.00 0.00 6.69 8.00 0.00 0.00 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 N 8.09 4.93 0.00 2.62 2.75 0.00 0.00 7.21 7.65 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 42 G 8.56 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.04 4.75 0.00 1.50 1.50 0.86 0.56 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 44 F 9.09 4.97 0.00 2.94 3.06 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 0.00 0.00 0.00 0.00 45 V 8.56 4.52 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 0.82 0.00 0.00 0.93 0.00 0.00 46 A 8.90 4.94 1.18 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 0.00 0.00 *48 P 0.00 4.53 0.00 2.19 2.49 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 49 S 8.67 5.40 0.00 4.04 3.93 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 50 K 8.96 4.74 0.00 1.91 1.66 0.00 1.48 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.39 7.81 51 R 8.67 5.43 0.00 1.09 1.59 0.00 2.61 0.00 0.00 3.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.08 0.00 *54 D 8.31 4.22 0.00 2.81 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 55 G 7.38 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 56 E 7.45 3.82 0.00 2.10 2.08 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 2.31 2.29 0.00 57 F 8.31 5.62 0.00 3.04 2.87 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 0.00 0.00 0.00 58 R 7.83 4.77 0.00 1.85 1.83 0.00 3.32 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 59 D 8.53 4.97 0.00 2.71 2.82 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 60 I 8.40 4.15 2.04 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 1.34 0.57 0.96 0.00 0.00 61 T 7.79 4.49 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 1.27 0.00 0.00 62 H 8.66 4.79 0.00 3.07 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.31 0.00 2.14 1.92 0.00 3.55 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 2.08 2.05 0.00 64 I 8.32 3.81 1.86 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 1.48 0.77 0.90 0.00 0.00 65 N 7.71 4.99 0.00 2.98 2.83 0.00 0.00 6.55 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.83 4.13 0.00 4.05 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 0.00 67 S 8.02 4.06 0.00 4.07 4.15 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 68 T 8.47 3.81 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 1.37 0.00 0.00 69 R 8.18 3.98 0.00 1.90 2.09 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 70 G 8.58 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 71 K 7.91 4.28 0.00 1.98 2.07 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.54 7.81 72 I 7.47 3.69 2.00 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 1.42 0.82 0.92 0.00 0.00 73 Q 8.14 3.96 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 74 D 8.07 4.31 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.97 3.55 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 77 L 8.10 4.06 0.00 1.99 1.77 0.74 0.58 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 78 N 8.72 4.34 0.00 3.03 2.89 0.00 0.00 6.58 7.56 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 79 E 8.13 3.94 0.00 2.12 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 0.00 2.48 2.40 0.00 80 Y 8.55 4.05 0.00 2.91 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 81 H 8.44 4.09 0.00 3.31 3.35 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.23 3.87 0.00 1.85 2.15 0.00 3.26 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 83 L 7.82 4.15 0.00 1.82 1.54 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.44 3.70 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 0.00 0.00 0.00 85 D 7.63 5.03 0.00 2.55 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 86 T 7.55 4.18 4.32 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.