NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2759 8.1631 110.9398 60.9359 70.7187 172.3791 3 G 4.0982 7.5702 110.6990 42.3460 0.0000 170.1385 4 P 4.2819 0.0000 0.0000 62.6587 32.5200 175.7824 5 K 4.2850 8.4975 121.7782 55.7936 30.8962 176.7489 6 Q 4.4769 8.2313 122.4505 54.8375 30.1150 175.8752 7 Q 4.3163 8.1347 119.1538 54.3463 29.8323 174.4798 8 P 4.5828 0.0000 0.0000 61.6506 32.5403 175.8521 9 L 4.1025 8.1213 118.8953 53.7915 42.2647 175.7743 10 P 4.3261 0.0000 0.0000 62.2969 31.8160 175.6937 11 P 4.5394 0.0000 0.0000 65.0087 31.4035 178.1259 12 D 4.5622 8.0379 115.6245 54.9654 39.8547 177.0267 13 V 4.1236 7.6363 112.8284 61.4792 32.6180 175.8097 14 E 4.1042 7.6240 119.6908 57.9002 29.5547 178.1965 15 G 3.8637 8.8346 110.7429 45.7847 0.0000 173.9259 16 R 4.3362 7.7626 120.0921 54.5246 29.0547 176.9805 17 E 4.0834 8.5532 123.5341 58.5630 29.7462 178.2192 18 D 4.5034 7.9482 116.2602 54.1194 40.2864 176.6500 19 A 4.1589 7.6417 123.7769 52.0013 18.9278 176.7382 20 I 4.4523 7.9354 121.8081 59.1222 40.1084 175.0024 21 E 4.0860 8.7307 126.4837 55.6911 29.5910 176.4196 22 V 3.7077 8.5069 126.9581 65.4356 31.9235 175.1507 23 L 4.7262 7.1338 115.6498 55.0123 43.0238 174.1661 24 R 4.6721 8.7086 118.2500 54.3294 33.9141 174.3220 25 A 5.1078 8.4193 124.2852 50.0746 21.8947 175.0697 26 F 4.8190 9.3063 120.9403 55.4219 42.4263 174.8186 27 V 4.6477 8.3675 122.5838 60.6639 32.8462 175.3630 28 L 4.4029 9.1010 125.0106 55.3215 45.3588 174.5788 29 D 4.4704 9.7071 124.9243 55.5017 38.3933 174.5600 30 G 3.9383 8.6334 103.7336 45.9358 0.0000 174.1285 31 G 4.3211 8.0981 109.4380 43.5864 0.0000 170.9362 32 L 5.3039 8.4302 118.1544 53.0002 45.0190 176.1081 33 S 4.7506 9.2842 119.4330 56.6440 64.3615 172.5998 34 I 4.8802 8.4092 127.4435 59.3620 39.9659 174.7082 35 A 4.5751 8.8061 129.1995 49.6697 20.3086 175.5015 36 F 5.2929 8.9090 122.8815 57.7968 38.8224 178.4087 *38 R 4.4395 8.6934 124.9957 56.9646 31.2176 174.7814 39 A 4.4981 7.8955 119.2097 51.7147 19.7970 177.5033 40 F 4.9348 8.3937 124.2380 57.4707 39.7476 174.2973 *42 D 4.3623 8.3680 116.7816 53.2195 42.1877 175.4627 43 P 4.7905 0.0000 0.0000 66.0005 31.4648 178.6654 44 E 3.9733 7.8630 121.2299 55.5339 28.9058 178.5922 *46 W 4.7090 8.2758 118.8459 56.3625 31.5852 178.0558 47 G 3.8013 8.3927 105.0578 47.9031 0.0000 175.4409 48 L 3.9752 8.2256 123.5078 57.5868 42.0791 178.6102 49 L 3.8829 7.8870 119.7851 58.2330 41.9229 178.7824 50 L 3.9344 8.1197 118.7881 57.7450 41.4770 179.6840 51 V 3.5729 7.8937 118.0722 66.1262 31.4754 177.7562 52 D 4.3438 8.3604 118.8851 57.4509 40.6725 178.9261 53 I 3.6632 7.9433 120.0518 64.3142 37.1287 178.3342 54 A 3.9724 8.1215 121.7041 55.1518 18.1758 179.8806 55 R 3.8677 8.2714 116.8274 59.6439 30.1831 178.7722 56 H 4.0702 8.4016 117.7426 59.2533 29.8584 176.9827 57 A 3.9584 8.5407 122.7260 55.1814 18.1292 179.4922 58 A 4.0542 8.1634 119.1101 55.4241 18.5469 180.1021 59 R 3.8819 7.9574 116.5861 59.5857 29.9182 179.5724 60 S 4.1468 7.9166 113.8693 61.5929 63.1089 175.8000 61 Y 4.4720 8.5727 122.5442 60.7937 38.3546 177.8636 62 A 4.3195 7.9615 121.9302 54.7496 18.5525 179.6019 63 R 4.1236 7.8796 114.8079 58.1793 30.0500 177.4371 64 E 4.7306 7.8902 117.0635 55.4697 30.2779 175.0744 65 S 4.5767 7.6293 112.9104 57.1477 65.6595 173.6347 66 E 3.9612 8.1492 116.9464 57.6508 29.7122 176.4998 67 Y 4.5992 7.1818 119.0795 57.3084 39.1043 175.4146 68 T 4.2208 8.7914 114.4709 61.1117 71.0425 175.4832 69 E 3.9266 8.6217 121.4862 59.5774 29.6101 178.5069 70 D 4.3522 8.0458 118.3148 57.4639 40.9686 178.4882 71 E 3.8992 8.2094 118.7955 59.2774 29.3931 179.2467 72 A 3.6786 8.2967 121.2053 54.9315 18.3518 179.3681 73 L 3.8863 8.2130 119.1776 58.2951 42.1418 178.6662 74 E 3.9145 8.0794 119.1479 59.4809 29.2974 179.0939 75 R 3.8890 7.6950 116.7370 59.2678 30.1982 178.8621 76 I 3.9010 7.8100 118.5822 64.4333 37.3594 178.3953 77 V 3.9751 8.1125 119.3509 65.8352 31.2277 178.0233 78 E 4.1362 8.1815 115.2517 57.1104 29.2189 177.9570 *80 F 4.9218 7.9366 120.1020 58.0461 41.3265 176.9503 81 E 3.6008 8.4612 119.9464 59.0192 28.8900 179.1570 82 A 3.9539 8.0231 120.3485 55.1933 18.8192 179.0111 83 E 4.0175 8.0845 117.2618 59.4244 29.6009 178.8186 84 L 3.9723 7.6512 118.3166 57.5063 41.7289 179.0276 85 S 4.3968 8.0552 114.6372 60.4125 63.4296 175.6240 86 R 4.2331 7.4931 128.6947 58.7407 29.3437 181.4765 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 2 T 8.16 4.28 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 3 G 7.57 4.10 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 0.00 0.00 0.00 4 P 0.00 4.28 0.00 2.12 1.94 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 5 K 8.50 4.29 0.00 1.77 1.82 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.54 7.81 6 Q 8.23 4.48 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.87 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 7 Q 8.13 4.32 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.05 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 8 P 0.00 4.58 0.00 2.16 2.06 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 9 L 8.12 4.10 0.00 1.64 1.63 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.33 0.00 2.24 1.95 0.00 3.57 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 2.07 2.08 0.00 11 P 0.00 4.54 0.00 2.16 2.09 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 12 D 8.04 4.56 0.00 2.76 2.78 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 13 V 7.64 4.12 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 0.77 0.00 0.00 0.94 0.00 0.00 14 E 7.62 4.10 0.00 2.18 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 2.32 2.46 0.00 15 G 8.83 3.86 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 0.00 0.00 0.00 16 R 7.76 4.34 0.00 2.00 2.03 0.00 3.28 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 17 E 8.55 4.08 0.00 1.95 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 2.31 2.29 0.00 18 D 7.95 4.50 0.00 2.77 2.78 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 19 A 7.64 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.45 1.83 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 1.29 0.87 0.91 0.00 0.00 21 E 8.73 4.09 0.00 1.92 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 2.28 2.26 0.00 22 V 8.51 3.71 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 0.34 0.00 0.00 0.66 0.00 0.00 23 L 7.13 4.73 0.00 1.49 1.69 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.71 4.67 0.00 1.84 1.82 0.00 3.23 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 25 A 8.42 5.11 1.08 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 0.00 0.00 26 F 9.31 4.82 0.00 2.95 2.93 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 27 V 8.37 4.65 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 0.68 0.00 0.00 1.00 0.00 0.00 28 L 9.10 4.40 0.00 1.76 1.53 0.92 0.96 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 29 D 9.71 4.47 0.00 2.85 2.72 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 0.00 0.00 0.00 0.00 30 G 8.63 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 0.00 0.00 0.00 31 G 8.10 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 0.00 0.00 0.00 0.00 32 L 8.43 5.30 0.00 1.51 1.57 0.94 0.81 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 33 S 9.28 4.75 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.41 4.88 1.53 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 1.17 0.76 -0.14 0.00 0.00 35 A 8.81 4.58 1.26 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 0.00 0.00 0.00 36 F 8.91 5.29 0.00 3.14 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 4.44 0.00 1.85 1.89 0.00 3.26 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 39 A 7.90 4.50 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 40 F 8.39 4.93 0.00 2.95 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 *42 D 8.37 4.36 0.00 2.77 2.50 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 43 P 0.00 4.79 0.00 2.41 2.60 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 44 E 7.86 3.97 0.00 2.25 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 2.31 2.34 0.00 *46 W 8.28 4.71 0.00 3.70 3.38 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 47 G 8.39 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.23 3.98 0.00 1.75 1.64 0.96 0.70 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 49 L 7.89 3.88 0.00 1.65 1.81 0.85 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.12 3.93 0.00 1.99 1.66 1.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.89 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 1.13 0.00 0.00 0.99 0.00 0.00 52 D 8.36 4.34 0.00 2.83 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 53 I 7.94 3.66 1.93 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 1.41 0.60 0.86 0.00 0.00 54 A 8.12 3.97 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 55 R 8.27 3.87 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 56 H 8.40 4.07 0.00 3.24 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.54 3.96 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 58 A 8.16 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 3.88 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 60 S 7.92 4.15 0.00 3.91 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 61 Y 8.57 4.47 0.00 3.08 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 62 A 7.96 4.32 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 63 R 7.88 4.12 0.00 2.01 2.03 0.00 3.11 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 64 E 7.89 4.73 0.00 2.05 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 0.00 2.46 2.39 0.00 65 S 7.63 4.58 0.00 3.89 4.04 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 66 E 8.15 3.96 0.00 1.81 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 1.47 1.72 0.00 67 Y 7.18 4.60 0.00 2.72 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 68 T 8.79 4.22 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 1.26 0.00 0.00 69 E 8.62 3.93 0.00 2.06 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 2.38 2.42 0.00 70 D 8.05 4.35 0.00 2.73 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 71 E 8.21 3.90 0.00 2.23 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 2.36 2.35 0.00 72 A 8.30 3.68 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 73 L 8.21 3.89 0.00 1.86 1.84 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.08 3.91 0.00 2.09 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 2.29 2.36 0.00 75 R 7.70 3.89 0.00 1.95 1.98 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 76 I 7.81 3.90 2.04 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 1.42 0.71 0.91 0.00 0.00 77 V 8.11 3.98 2.14 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 1.18 0.00 0.00 1.05 0.00 0.00 78 E 8.18 4.14 0.00 2.16 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 2.31 2.47 0.00 *80 F 7.94 4.92 0.00 3.11 3.35 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 81 E 8.46 3.60 0.00 1.98 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 2.02 2.52 0.00 82 A 8.02 3.95 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 83 E 8.08 4.02 0.00 2.12 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 2.42 2.49 0.00 84 L 7.65 3.97 0.00 1.57 1.55 0.37 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.06 4.40 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.49 4.23 0.00 1.95 1.74 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.