NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.4879 8.3531 120.3172 52.1116 41.4296 176.1611 5 G 3.7690 8.4765 106.9535 45.1388 0.0000 171.1017 6 Y 4.5674 8.3822 118.5375 56.7016 39.0580 174.0403 7 F 4.5674 9.0725 123.3009 57.4365 40.0558 175.8043 8 E 4.8001 7.9723 119.4407 53.2274 32.6810 173.8591 9 P 4.1573 0.0000 0.0000 63.7931 31.9162 177.7617 10 T 3.4910 8.3180 120.1039 66.6825 68.5692 175.4308 11 Q 4.1127 7.8517 120.3904 57.8644 29.3482 175.8169 12 E 4.4689 8.0914 115.8041 56.1475 29.6958 175.5942 13 L 4.8064 7.1775 118.2437 52.2827 44.6295 177.3723 14 S 4.3915 8.4236 117.7668 58.0203 65.0581 175.0568 15 D 4.4298 8.6800 123.0668 57.8330 40.4649 179.2156 16 E 4.1664 8.1683 115.6228 59.5158 29.7071 178.7118 17 T 4.0754 7.5181 115.9940 66.6529 68.6870 176.4286 18 R 4.3833 7.9992 119.6746 58.9593 30.0095 178.9250 19 D 4.6796 8.4221 116.7305 55.1216 40.5274 177.7035 *21 H 4.6428 8.1322 121.2869 56.3444 31.8956 175.5438 22 R 3.6908 8.1707 118.2124 58.8922 29.6438 179.0443 23 A 3.8192 8.2217 120.9295 55.1875 18.4592 179.7650 24 I 3.5874 7.6058 117.8233 64.4733 37.2172 178.4196 25 I 3.5891 7.8130 119.6528 64.1552 37.8398 177.7937 26 S 4.0604 7.7464 115.6195 61.7983 62.6638 176.7050 27 L 3.9859 8.0498 122.7948 58.1697 41.8515 179.0910 28 R 3.9437 8.4033 118.5030 59.3052 29.8877 178.9855 29 E 3.9351 8.2753 118.3571 59.4758 29.5477 179.1492 30 E 3.9965 8.2649 118.5947 59.5374 29.5156 179.5204 31 L 4.0650 8.0198 118.9840 57.4686 41.5098 179.2922 32 E 3.8341 8.1394 119.2471 59.1483 29.6744 178.2887 33 A 3.8941 8.0974 121.1516 55.4125 18.3594 179.7752 34 V 3.5974 7.8140 116.2060 66.1955 31.7957 177.5592 35 D 4.3424 8.0183 117.6607 57.3981 41.0573 178.2374 36 L 3.9209 8.5620 120.1150 58.2202 41.6635 179.1793 37 Y 4.2478 8.3749 116.8428 61.1344 37.7017 178.4102 38 N 4.4393 8.3839 118.1461 56.5873 39.0058 177.1094 39 Q 3.9585 7.9308 119.1564 59.1307 28.9996 178.8373 40 R 3.9412 8.1567 119.1335 59.0410 29.8316 179.1262 41 V 3.5890 8.0546 117.6359 66.2773 31.6266 177.2435 42 N 4.4111 8.0211 114.9066 56.1146 38.8846 175.6348 43 A 4.4573 7.8345 118.9848 51.2091 19.9121 176.7332 44 C 4.2872 7.3164 118.2099 59.2295 32.4024 173.1333 45 K 4.2354 8.4896 125.4175 58.3770 32.8956 176.8072 46 D 4.3734 7.8759 118.5861 54.0335 41.8098 176.9349 47 K 3.9632 8.7457 127.4970 59.2033 32.3216 178.3454 48 E 3.9623 8.5905 119.9220 58.8096 29.7227 178.0268 49 L 3.9310 8.1838 119.9186 58.0716 42.0960 178.3978 50 K 3.8186 8.1988 119.2738 59.7289 32.0507 178.4143 51 A 3.9659 7.8452 120.1742 55.1712 18.3893 179.3855 52 I 3.5683 7.5744 117.9423 64.6334 37.1968 178.6058 53 L 3.7552 8.0220 119.1586 57.8385 41.5671 179.5268 54 A 3.9506 7.9304 120.6279 55.1311 18.2177 179.2437 55 H 3.9540 8.0850 116.8437 59.5174 30.0255 177.1118 56 N 4.1660 7.7244 118.0610 56.3855 38.2687 177.0256 57 R 3.8221 7.3021 119.7478 59.7632 29.9697 178.2632 58 D 4.3587 7.9226 117.9446 57.2816 41.2169 178.2085 59 E 3.9516 8.0445 119.9192 59.3197 29.5748 178.7947 60 E 3.7885 8.1760 118.5959 58.9513 29.5272 178.9871 61 K 3.8506 8.0442 118.7773 59.7456 31.8299 178.7170 62 E 4.0002 7.6955 118.1393 59.4511 29.6792 178.1544 63 H 4.3972 8.0203 114.6514 58.6876 29.0923 177.1845 64 A 4.1963 8.2238 122.2950 55.1052 18.2572 179.9245 65 A 3.9376 7.7867 118.0195 53.3386 19.3578 179.2576 *67 L 4.2994 7.9016 122.2624 56.3002 43.9929 179.1871 68 L 4.0406 8.5491 120.2585 58.2937 41.9240 178.6617 69 E 3.9134 8.2957 119.2484 59.0255 29.3264 178.5182 70 W 4.0464 8.2315 127.0015 60.4397 31.1129 177.4804 71 I 3.7717 8.5076 120.1098 64.3938 36.3751 178.1284 72 R 4.0673 8.6444 120.0669 59.8778 29.6483 178.4492 73 R 3.8126 7.8886 116.5594 59.1035 30.0935 177.8502 74 C 4.5275 7.5332 113.9265 58.6884 29.3506 173.0806 75 D 4.7118 7.4819 119.7689 51.2237 41.7939 174.2479 76 P 4.3477 0.0000 0.0000 65.0596 31.0215 178.4623 77 A 4.0440 8.1041 119.6914 54.8674 18.2663 179.2668 78 F 4.2270 8.7105 119.3943 61.1708 39.4936 176.8228 79 D 4.2647 8.2769 117.7708 57.5653 40.8006 178.0582 80 K 3.7469 8.0873 118.7801 59.7935 32.2836 177.9754 81 E 4.2164 7.6519 117.0340 59.1066 29.6931 179.0025 82 L 3.8946 7.7434 119.2213 57.3643 41.7694 178.9773 83 K 4.2902 7.9866 115.6529 57.9679 32.9468 177.3428 84 D 4.3972 7.7935 119.0658 55.5963 41.1769 176.6609 85 Y 4.6020 7.4874 113.7366 57.6956 40.4621 175.7551 86 L 3.9443 8.3893 122.0685 55.6034 42.6847 176.5029 87 F 4.2576 8.2536 121.2286 58.7562 36.5973 175.8148 88 T 4.5484 7.1170 112.1210 61.0880 70.7599 173.4447 89 N 5.0252 8.3589 113.7270 53.1988 41.9530 175.0251 90 K 4.2507 8.1561 117.6375 55.0618 32.9706 174.5947 91 P 4.1169 0.0000 0.0000 62.5639 31.8041 176.2356 92 I 3.9705 8.7084 124.4974 64.1716 37.4912 176.5690 93 A 4.5610 7.8726 119.8615 53.6684 20.7557 175.7119 94 H 4.3532 8.3753 118.3346 56.7997 29.7816 174.5968 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 4 D 8.35 4.49 0.00 2.91 2.92 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 5 G 8.48 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.38 4.57 0.00 3.18 2.83 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 0.00 0.00 0.00 0.00 7 F 9.07 4.57 0.00 2.92 3.15 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 8 E 7.97 4.80 0.00 1.98 1.85 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 2.28 2.28 0.00 9 P 0.00 4.16 0.00 2.14 1.97 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 10 T 8.32 3.49 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 0.99 0.00 0.00 11 Q 7.85 4.11 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.14 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 12 E 8.09 4.47 0.00 2.17 1.96 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 2.29 2.26 0.00 13 L 7.18 4.81 0.00 1.66 1.60 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.42 4.39 0.00 4.07 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 15 D 8.68 4.43 0.00 2.74 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 16 E 8.17 4.17 0.00 2.20 2.16 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 2.32 2.44 0.00 17 T 7.52 4.08 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 18 R 8.00 4.38 0.00 2.16 2.14 0.00 3.26 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 19 D 8.42 4.68 0.00 2.84 2.79 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 *21 H 8.13 4.64 0.00 3.22 3.52 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.17 3.69 0.00 1.95 1.83 0.00 3.15 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 23 A 8.22 3.82 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 24 I 7.61 3.59 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.86 0.00 0.00 25 I 7.81 3.59 1.66 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.73 0.00 0.00 26 S 7.75 4.06 0.00 4.10 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 27 L 8.05 3.99 0.00 1.76 1.88 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.40 3.94 0.00 2.01 1.95 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 29 E 8.28 3.94 0.00 2.14 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 2.31 2.32 0.00 30 E 8.26 4.00 0.00 2.15 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 2.59 2.55 0.00 31 L 8.02 4.06 0.00 1.93 1.72 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.14 3.83 0.00 2.11 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 2.26 2.29 0.00 33 A 8.10 3.89 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 34 V 7.81 3.60 2.26 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 1.02 0.00 0.00 1.00 0.00 0.00 35 D 8.02 4.34 0.00 2.95 2.83 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 0.00 0.00 0.00 0.00 36 L 8.56 3.92 0.00 1.45 1.51 0.81 -0.06 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 37 Y 8.37 4.25 0.00 3.09 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 38 N 8.38 4.44 0.00 3.13 2.86 0.00 0.00 7.14 6.41 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 39 Q 7.93 3.96 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 40 R 8.16 3.94 0.00 1.95 2.04 0.00 3.03 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 41 V 8.05 3.59 2.30 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 0.81 0.00 0.00 1.05 0.00 0.00 42 N 8.02 4.41 0.00 2.91 3.01 0.00 0.00 7.23 8.10 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 43 A 7.83 4.46 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 44 C 7.32 4.29 0.00 3.33 2.90 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 45 K 8.49 4.24 0.00 1.78 1.83 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.35 7.81 46 D 7.88 4.37 0.00 2.68 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 47 K 8.75 3.96 0.00 1.86 1.79 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.50 7.81 48 E 8.59 3.96 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 2.29 2.35 0.00 49 L 8.18 3.93 0.00 1.80 1.82 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.20 3.82 0.00 2.06 1.96 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 51 A 7.85 3.97 1.32 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 52 I 7.57 3.57 2.04 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 1.48 1.27 0.89 0.00 0.00 53 L 8.02 3.76 0.00 1.88 1.81 1.00 1.05 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 54 A 7.93 3.95 1.29 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 0.00 0.00 55 H 8.08 3.95 0.00 3.18 3.39 0.00 5.61 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 56 N 7.72 4.17 0.00 1.75 2.49 0.00 0.00 6.73 7.48 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 57 R 7.30 3.82 0.00 1.84 1.91 0.00 3.14 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 58 D 7.92 4.36 0.00 2.62 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 59 E 8.04 3.95 0.00 2.07 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 2.25 2.32 0.00 60 E 8.18 3.79 0.00 2.14 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 0.00 2.56 2.69 0.00 61 K 8.04 3.85 0.00 1.99 1.90 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 62 E 7.70 4.00 0.00 1.99 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 2.39 2.38 0.00 63 H 8.02 4.40 0.00 3.39 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.22 4.20 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 65 A 7.79 3.94 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 *67 L 7.90 4.30 0.00 1.91 1.81 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.55 4.04 0.00 1.89 1.88 1.23 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.30 3.91 0.00 2.23 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 2.38 2.44 0.00 70 W 8.23 4.05 0.00 3.35 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.77 1.96 0.00 0.00 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 1.63 0.64 0.49 0.00 0.00 72 R 8.64 4.07 0.00 2.08 2.27 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 73 R 7.89 3.81 0.00 1.40 1.83 0.00 3.33 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 74 C 7.53 4.53 0.00 2.37 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 75 D 7.48 4.71 0.00 2.51 2.52 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 76 P 0.00 4.35 0.00 2.20 2.08 0.00 3.65 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 2.10 2.12 0.00 77 A 8.10 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 4.23 0.00 3.41 3.26 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 79 D 8.28 4.26 0.00 2.95 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 80 K 8.09 3.75 0.00 1.88 2.06 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 81 E 7.65 4.22 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 2.49 2.51 0.00 82 L 7.74 3.89 0.00 1.54 1.57 0.79 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.99 4.29 0.00 1.84 1.91 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.37 7.81 84 D 7.79 4.40 0.00 2.71 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 0.00 0.00 0.00 0.00 85 Y 7.49 4.60 0.00 2.84 2.88 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 0.00 0.00 0.00 86 L 8.39 3.94 0.00 1.61 1.25 0.68 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.25 4.26 0.00 3.26 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 88 T 7.12 4.55 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 1.27 0.00 0.00 89 N 8.36 5.03 0.00 2.68 2.84 0.00 0.00 6.82 7.61 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 90 K 8.16 4.25 0.00 1.75 1.74 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.45 7.81 91 P 0.00 4.12 0.00 2.05 2.08 0.00 3.69 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 2.04 2.17 0.00 92 I 8.71 3.97 1.89 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 1.43 0.52 0.87 0.00 0.00 93 A 7.87 4.56 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 94 H 8.38 4.35 0.00 3.09 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.