NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9474 8.3549 109.7288 45.5202 0.0000 173.0262 1 L 3.4256 8.2902 117.5610 55.4112 41.9707 175.6941 2 F 5.0432 8.6521 118.1487 55.4050 42.2725 174.4596 3 E 4.3080 8.8021 125.8231 55.6465 30.5009 179.0017 4 G 3.9612 9.0669 117.2977 46.6492 0.0000 173.1810 5 D 4.7812 9.4649 123.2715 53.3799 43.4786 174.6136 6 K 4.8350 7.7291 117.7566 55.0141 34.7662 175.5603 7 F 3.9898 8.8114 123.1231 58.5215 39.7969 175.1879 8 V 4.1369 7.2389 124.3408 61.8429 33.5487 175.5927 9 G 3.1987 5.3800 107.2971 45.8359 0.0000 174.0021 10 S 4.4399 8.0159 116.0199 57.2339 65.5316 175.0808 11 F 3.9304 8.5427 122.8398 61.1773 38.7854 176.8009 12 E 3.6738 7.9547 116.9352 59.4634 29.7067 178.7816 13 S 4.2101 8.0837 114.7812 61.6430 62.9506 176.3779 14 A 3.8594 7.7627 122.9348 55.5781 17.8366 179.4537 15 A 3.8139 7.5691 117.3796 55.1451 18.3799 178.8534 16 M 4.4959 8.3455 115.3511 56.7121 32.9614 176.5005 17 G 4.4595 8.4700 106.3669 42.3204 0.0000 171.7216 18 T 5.2064 8.0429 116.6467 61.8899 70.7645 173.9369 19 F 5.1577 8.8922 119.9728 56.0519 41.9092 173.0397 20 V 4.1874 8.6114 120.1945 62.0121 32.5904 175.3928 21 I 4.0111 8.7439 130.0969 61.0616 37.9329 174.5161 22 D 5.3638 8.9229 127.8428 49.8732 42.8330 176.1139 23 M 4.2454 8.7838 114.7494 58.5484 31.0258 178.2299 24 R 4.1638 8.1007 119.0770 58.5390 30.5908 178.6558 25 S 4.0019 8.7701 116.0091 60.5584 63.1530 175.7417 26 Y 3.9251 8.0260 123.3759 60.4765 38.3927 177.6986 27 E 3.9305 8.3509 120.0321 59.7661 29.4383 179.0265 28 T 3.8829 7.5837 115.1532 66.5204 68.5121 176.8110 29 L 4.0031 7.8903 120.8467 57.9445 41.9127 179.4168 30 V 3.4648 7.4202 118.0836 65.9686 31.0129 176.7678 31 N 4.8638 7.5636 113.2895 53.1579 38.5993 175.3846 32 S 4.7728 8.3288 114.0110 58.0169 63.9461 174.8403 33 T 4.5500 7.7559 115.9500 63.2308 72.0240 175.1447 34 S 4.8430 7.6845 118.0063 57.1045 66.4742 173.6514 35 L 3.8293 8.0468 121.1952 59.1516 41.6490 180.2304 36 D 4.2451 7.9030 118.1582 57.3725 40.9769 178.4432 37 R 3.6096 7.5682 117.9498 59.2793 30.0664 178.9888 38 I 3.6326 7.5561 118.7606 64.3970 37.1060 178.1305 39 K 3.8953 8.0379 119.2614 59.7876 31.7201 178.9501 40 S 4.0590 7.7837 112.5664 61.8751 62.5186 175.4956 41 Y 4.6435 8.1102 121.1669 60.5673 37.7455 178.8090 42 A 4.1823 8.7517 121.5827 55.5662 17.9591 178.9371 43 N 4.2760 8.3631 114.9426 56.9808 38.7967 177.1739 44 S 4.4194 8.0411 111.9567 59.4742 62.9424 175.4320 45 F 4.3103 8.4945 126.3151 62.1746 38.6351 176.8206 46 N 4.2550 7.9618 115.4870 55.9424 38.0710 177.2675 47 K 3.8284 7.7434 119.8605 58.5185 32.1660 176.7543 48 Y 4.7450 7.2387 113.6348 57.4471 38.8688 176.5024 49 K 3.6448 7.3960 119.6801 56.4904 31.8245 177.3746 *56 G 3.8604 7.8130 106.0585 45.0398 0.0000 171.9377 57 E 4.1357 8.2510 118.6889 53.3024 31.8941 182.9732 58 A 3.7491 8.8679 119.5495 53.1676 18.8846 178.9179 59 D 4.3994 9.4225 119.4445 56.7727 41.6266 176.8489 60 Y 3.9446 7.7067 119.3228 60.7155 38.8230 177.8133 61 R 3.4783 7.9215 119.5249 59.8047 29.9724 177.9025 62 M 3.5287 7.4697 117.5341 58.3504 31.9660 178.4414 63 A 3.0321 7.2816 120.7857 55.1189 18.3014 179.4390 64 C 3.9076 7.6060 115.1973 63.1948 28.1536 175.6334 65 Y 4.2882 7.5834 117.9364 61.4217 37.4804 178.9739 66 A 4.4522 8.4423 121.7641 55.4362 18.5917 179.1888 67 H 4.3394 8.4670 116.7479 59.4328 29.9953 177.1537 68 L 3.7588 8.6354 122.6718 58.2225 41.7679 178.6989 69 G 4.2085 8.6148 105.7352 48.2393 0.0000 175.2067 70 K 3.7743 8.3881 121.9916 58.7304 32.1294 178.3882 71 A 4.1036 7.7771 120.7156 55.4928 18.2626 179.4455 72 L 4.1446 8.1939 117.1771 58.5616 41.7798 179.8002 73 M 4.1878 8.3843 118.5144 58.4616 31.7922 178.5930 74 D 4.3114 8.7581 119.3693 57.5994 40.7758 178.1880 75 Y 4.1012 8.3424 120.4856 60.6327 38.5054 178.2700 76 S 3.5419 7.9258 114.4700 61.0318 63.0904 176.5859 77 V 3.8454 7.2431 120.8130 64.0865 31.4994 176.1396 78 S 4.4154 7.4983 115.0388 56.2307 64.3145 175.6275 79 R 3.3522 7.9871 129.0753 54.7937 28.5594 177.5337 80 N 4.7653 7.6056 115.3200 51.8574 39.6902 175.4836 81 D 4.7162 8.7252 123.1605 55.3539 42.0638 175.8536 82 K 4.6151 8.8033 122.4820 54.9797 36.2829 174.2973 83 L 4.3362 8.4696 128.6143 54.9988 43.1106 174.9695 84 Y 4.6823 8.8009 127.9436 56.1052 40.7726 174.3670 85 T 4.7984 7.0419 114.8780 59.0385 72.0882 171.8176 86 P 4.4221 0.0000 0.0000 61.4992 32.2758 174.5375 87 P 4.2816 0.0000 0.0000 62.9118 31.9257 176.2351 88 T 4.2598 8.1622 116.2864 63.2761 69.3648 175.2636 89 V 4.0008 8.1075 123.4021 63.1160 31.8763 175.1164 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 0 G 8.35 3.95 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 0.00 0.00 0.00 1 L 8.29 3.43 0.00 1.06 0.60 0.67 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 2 F 8.65 5.04 0.00 2.96 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 3 E 8.80 4.31 0.00 2.04 1.91 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 2.22 2.35 0.00 4 G 9.07 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 5 D 9.46 4.78 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.73 4.83 0.00 2.09 1.97 0.00 1.40 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 7 F 8.81 3.99 0.00 2.99 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 8 V 7.24 4.14 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 0.70 0.00 0.00 0.88 0.00 0.00 9 G 5.38 3.20 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 0.00 10 S 8.02 4.44 0.00 4.16 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 11 F 8.54 3.93 0.00 3.03 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 12 E 7.95 3.67 0.00 1.95 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 0.00 2.34 1.99 0.00 13 S 8.08 4.21 0.00 3.73 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 14 A 7.76 3.86 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 15 A 7.57 3.81 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 16 M 8.35 4.50 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.92 0.00 17 G 8.47 4.46 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 0.00 0.00 0.00 18 T 8.04 5.21 4.37 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 1.29 0.00 0.00 19 F 8.89 5.16 0.00 3.47 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.61 4.19 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 0.76 0.00 0.00 0.96 0.00 0.00 21 I 8.74 4.01 1.72 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 1.06 -0.19 0.56 0.00 0.00 22 D 8.92 5.36 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.78 4.25 0.00 2.42 2.51 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.70 0.00 24 R 8.10 4.16 0.00 2.04 2.07 0.00 3.18 0.00 0.00 3.44 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 25 S 8.77 4.00 0.00 3.15 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.03 3.93 0.00 2.90 3.22 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 0.00 27 E 8.35 3.93 0.00 2.29 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 0.00 2.33 2.40 0.00 28 T 7.58 3.88 4.39 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 1.31 0.00 0.00 29 L 7.89 4.00 0.00 1.52 1.69 0.69 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.42 3.46 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 0.92 0.00 0.00 0.04 0.00 0.00 31 N 7.56 4.86 0.00 2.79 2.81 0.00 0.00 6.80 7.86 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 32 S 8.33 4.77 0.00 3.85 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 33 T 7.76 4.55 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 0.95 0.00 0.00 34 S 7.68 4.84 0.00 4.07 3.99 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 35 L 8.05 3.83 0.00 1.76 1.72 0.96 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.90 4.25 0.00 2.66 2.61 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 0.00 0.00 0.00 0.00 37 R 7.57 3.61 0.00 1.87 1.53 0.00 2.90 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 38 I 7.56 3.63 2.00 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 1.50 0.55 1.02 0.00 0.00 39 K 8.04 3.90 0.00 2.03 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.61 7.81 40 S 7.78 4.06 0.00 3.91 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 41 Y 8.11 4.64 0.00 3.17 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 42 A 8.75 4.18 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 43 N 8.36 4.28 0.00 3.05 2.99 0.00 0.00 6.81 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 44 S 8.04 4.42 0.00 4.34 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 45 F 8.49 4.31 0.00 3.27 3.23 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 46 N 7.96 4.26 0.00 2.79 2.84 0.00 0.00 6.69 7.29 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 47 K 7.74 3.83 0.00 1.55 1.76 0.00 1.54 0.00 0.00 1.41 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 1.00 7.81 48 Y 7.24 4.75 0.00 2.92 2.80 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 49 K 7.40 3.64 0.00 1.29 1.58 0.00 1.98 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.06 7.81 *56 G 7.81 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 57 E 8.25 4.14 0.00 2.03 1.78 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 2.39 2.30 0.00 58 A 8.87 3.75 1.24 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 0.00 0.00 0.00 59 D 9.42 4.40 0.00 2.84 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 60 Y 7.71 3.94 0.00 2.95 3.21 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 61 R 7.92 3.48 0.00 1.79 1.72 0.00 3.07 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.55 0.00 62 M 7.47 3.53 0.00 1.81 2.02 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 63 A 7.28 3.03 1.02 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 64 C 7.61 3.91 0.00 2.84 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 65 Y 7.58 4.29 0.00 2.91 2.12 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 66 A 8.44 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.47 4.34 0.00 3.60 3.60 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.64 3.76 0.00 1.17 1.26 0.81 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.61 4.21 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 0.00 70 K 8.39 3.77 0.00 1.30 1.25 0.00 0.61 0.00 0.00 0.86 0.00 0.00 3.18 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.14 1.02 7.81 71 A 7.78 4.10 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.19 4.14 0.00 2.04 2.00 1.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 M 8.38 4.19 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.97 0.00 74 D 8.76 4.31 0.00 2.79 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 75 Y 8.34 4.10 0.00 2.95 3.07 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 0.00 0.00 0.00 0.00 76 S 7.93 3.54 0.00 4.09 4.11 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 0.00 0.00 0.00 0.00 77 V 7.24 3.85 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 0.81 0.00 0.00 0.94 0.00 0.00 78 S 7.50 4.42 0.00 3.88 3.75 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 79 R 7.99 3.35 0.00 1.64 1.67 0.00 2.82 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 80 N 7.61 4.77 0.00 2.73 2.80 0.00 0.00 7.20 8.06 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 81 D 8.73 4.72 0.00 2.62 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 82 K 8.80 4.62 0.00 1.91 1.58 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.37 7.81 83 L 8.47 4.34 0.00 1.64 1.50 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.80 4.68 0.00 2.65 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 0.00 0.00 0.00 0.00 85 T 7.04 4.80 4.06 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 1.12 0.00 0.00 86 P 0.00 4.42 0.00 2.01 2.06 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 87 P 0.00 4.28 0.00 2.20 1.88 0.00 3.62 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 88 T 8.16 4.26 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 1.22 0.00 0.00 89 V 8.11 4.00 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 0.69 0.00 0.00 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.