NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1096 8.0932 114.8164 57.7460 64.6409 174.0063 2 L 3.7832 8.2092 119.9459 57.6206 41.0556 179.3576 3 F 4.3674 8.2838 118.8988 60.5613 39.3800 177.2849 4 E 4.1031 8.0975 117.7681 59.1691 29.2687 178.6541 5 L 4.0986 8.1696 120.6097 58.3130 42.1032 179.2370 6 G 3.6787 8.4833 105.7398 47.8121 0.0000 175.4211 7 K 3.9937 8.2445 122.3011 59.4125 32.2294 178.7839 8 M 4.0708 8.6485 119.2983 58.4721 31.9003 178.7846 9 I 3.6206 8.0001 120.1991 64.1428 37.1553 178.1755 10 L 4.2839 8.1942 122.8609 57.8084 41.7126 179.0914 11 Q 3.6994 8.0980 116.8854 58.9106 28.6291 178.4072 12 E 4.2926 8.6003 119.0272 59.1929 29.8349 178.6341 13 T 4.3080 8.5233 109.3712 62.9167 69.3870 176.5354 *15 G 4.2326 7.6786 107.3850 44.5060 0.0000 172.2419 16 K 4.4294 7.9121 120.0363 54.0818 34.1628 175.2563 17 N 4.3984 8.5282 120.0224 53.4120 39.6215 173.5866 18 P 4.4354 0.0000 0.0000 65.9392 31.5611 178.4521 19 A 4.0300 8.0628 118.6542 54.9571 18.2266 179.3611 20 K 3.9342 8.4074 117.0788 60.0510 32.4520 178.9239 21 S 4.6012 7.9180 115.3588 59.8156 61.5037 174.5769 22 Y 4.8996 8.2196 116.4534 57.2752 39.4948 177.5837 23 G 3.8282 8.4009 110.1427 48.1471 0.0000 173.3850 24 A 4.8443 7.3007 120.4209 51.6608 20.3158 174.1833 25 Y 5.5074 8.4567 121.6245 56.7480 42.7412 176.1287 26 G 3.5438 7.8687 115.7907 46.9155 0.0000 172.9542 27 C 4.7227 9.0942 116.8032 57.2906 41.0169 173.7245 28 N 4.6653 8.7710 115.3071 52.7087 40.5867 173.6921 29 C 4.6062 8.5822 117.2208 57.2278 41.0615 171.0980 30 G 4.0118 8.6198 112.3562 43.5703 0.0000 172.1868 31 V 3.9249 8.1889 114.8427 61.6324 33.5434 174.7285 32 L 3.5291 8.5938 115.9951 57.7820 38.7166 175.7022 33 G 3.6352 7.8100 107.6116 46.9841 0.0000 172.1009 34 R 4.7419 8.1274 118.9334 55.2674 32.8735 175.2967 35 G 4.2357 9.3352 108.9257 45.5313 0.0000 174.0281 36 K 4.0934 8.8157 124.3726 54.9514 31.9444 175.3485 37 P 4.5485 0.0000 0.0000 61.6451 31.9249 176.9448 38 K 3.8632 9.6015 123.6111 59.0316 32.4034 176.3156 39 D 4.4820 7.2827 115.4283 51.6080 41.7804 175.1972 40 A 3.9329 8.7723 119.8043 56.0293 18.0606 179.5730 41 T 3.8016 8.0691 113.7546 67.1722 68.5132 175.8925 42 D 4.4880 8.9611 119.8745 57.4892 41.2327 178.2436 43 R 3.8792 8.4244 119.6089 59.4598 29.9532 177.6335 44 C 4.1901 8.3162 116.5762 60.5725 37.9860 175.7029 45 C 4.1772 7.9087 117.5945 59.7364 40.6919 175.5632 46 Y 4.0007 8.1289 121.4454 60.8025 38.4625 178.1263 47 V 3.7134 8.5106 119.5516 66.3183 31.5083 177.3746 48 H 3.9811 8.4868 118.1979 59.2927 29.7008 177.4255 49 K 3.6514 8.2512 120.5928 59.5573 31.5842 178.7585 50 C 4.2420 7.9038 115.9863 59.8850 40.1152 174.9612 51 C 4.3643 8.2126 119.8222 60.0278 42.9901 174.9073 52 Y 4.2962 8.0536 118.3389 61.1595 37.2602 178.7603 53 K 3.8374 8.0080 119.4100 59.3522 31.9099 179.0024 *57 K 4.4625 7.7703 115.6155 56.0666 34.0504 176.3606 58 L 4.1479 7.4445 118.0922 55.2134 42.0376 176.6393 59 T 4.3537 8.2861 114.9094 62.4253 69.9789 173.7887 60 G 4.1119 10.0373 117.1287 45.3933 0.0000 171.7680 61 C 5.0439 7.4829 112.2308 53.7183 45.5573 172.8612 *67 D 4.7211 8.6910 119.2216 53.3362 40.9322 173.9637 68 P 3.8807 0.0000 0.0000 65.7714 31.4670 179.4628 *69 K 4.0530 8.9602 123.2920 57.0162 32.2200 183.7614 70 K 4.1783 8.1231 119.1565 55.8262 32.6562 178.2439 71 D 4.5268 8.2657 120.0216 54.3872 40.6188 176.4552 72 R 4.6272 8.6788 123.1686 55.6015 30.9580 174.9625 73 Y 4.8756 7.4451 116.5018 56.2946 41.1264 172.9195 74 S 5.1524 9.5047 114.9337 57.0297 64.9330 172.2208 75 Y 5.5098 8.1517 122.2134 56.4299 40.9457 173.3881 76 S 4.7895 9.6572 115.6062 56.5293 67.6211 173.3173 77 W 5.3846 9.0709 134.1383 56.6746 31.8087 175.8447 78 K 4.4134 8.6578 129.6137 53.5453 34.1788 172.9576 79 D 4.2045 9.1713 124.0972 54.5749 39.5930 172.8437 80 K 2.0000 7.2366 110.4483 56.5801 29.9212 175.5851 81 T 4.4640 6.4112 112.6182 61.5148 73.1180 174.1285 82 I 4.6586 8.5849 126.5213 61.4124 38.2030 175.5411 83 V 4.3785 9.5890 127.7036 60.9029 33.8500 174.0374 84 C 4.8345 9.0070 126.3048 57.1595 40.5770 174.3744 85 G 3.9563 9.0231 111.1973 45.7177 0.0000 173.3208 86 E 4.2094 9.1753 121.9351 58.7910 31.1190 179.7691 87 N 4.0745 8.4118 112.3959 53.9809 38.3099 176.5155 88 N 4.9003 8.5484 123.4625 51.9525 41.0332 173.3788 *90 P 4.2503 0.0000 0.0000 62.9005 33.4617 179.7961 91 C 4.1770 8.2108 116.8351 59.8205 40.6274 175.3524 92 L 3.5978 8.3836 120.7007 57.6274 41.1274 179.5915 93 K 3.8468 8.5106 119.9423 59.4177 32.1541 178.7843 94 E 3.9176 8.5362 119.3459 59.1424 29.2681 178.9913 95 L 3.8312 8.4250 121.1310 58.3086 42.1382 178.0549 96 C 3.6023 7.7054 119.8941 58.9589 42.7877 175.4229 97 E 3.8529 8.3621 120.3461 59.4612 29.0011 178.6813 98 C 4.2970 8.5446 116.9353 60.2381 41.3917 175.9165 99 D 4.4082 8.4776 120.5931 57.3414 40.3937 178.7905 100 K 3.8557 8.6972 120.1799 59.4295 32.1224 178.6742 101 A 3.9750 8.3506 121.6700 55.1143 18.3165 180.0369 102 V 3.5424 7.9226 117.5402 64.6543 31.4321 178.5667 103 A 3.8132 8.0281 121.4469 54.8839 18.2144 179.6251 104 I 3.6171 7.8890 118.4589 64.6158 37.1837 177.8006 105 C 4.3639 8.4799 119.6247 59.7324 43.2503 175.5569 106 L 3.7792 7.9317 119.5874 57.6443 41.4202 179.2023 107 R 4.0309 8.0670 118.6266 59.6667 29.8806 178.4554 108 E 4.0825 8.4600 117.1189 58.6159 29.6421 178.1735 109 N 4.9492 7.7506 114.8558 53.0951 39.1276 176.6034 110 L 4.2642 8.0543 124.4629 57.8733 41.3814 179.6047 111 G 3.7378 8.2726 107.0362 48.0024 0.0000 174.0194 112 T 4.5399 7.6815 107.6101 61.1169 69.3290 173.7658 113 Y 4.0046 8.0601 124.3030 58.2973 39.3055 174.6789 114 N 4.8547 9.0408 125.2509 51.4013 40.5673 174.8632 115 K 4.0906 8.8780 126.7710 59.1412 32.3800 179.4957 116 K 3.8953 8.2857 117.6849 59.3874 32.5776 177.3905 117 Y 4.3584 7.5583 116.5149 57.8990 37.6743 176.6359 118 R 3.5502 6.8757 118.9548 59.5708 30.7075 175.9367 119 Y 4.6011 7.1460 118.0836 57.1033 38.6706 176.0279 120 H 4.0442 8.1793 118.3742 56.7018 30.5291 174.0282 121 L 4.0634 8.4332 128.9379 54.7592 41.7017 177.4187 *122 K 4.0121 8.8497 126.2924 57.4018 31.8645 172.6273 123 P 4.2558 0.0000 0.0000 65.4219 31.4275 177.5699 *125 F 5.1601 7.5522 114.3242 57.9750 40.1817 175.3766 126 C 5.1840 7.9825 116.4594 54.9174 40.7806 175.1865 127 K 4.2046 8.6107 122.6755 56.3017 33.2178 175.8649 *129 K 4.4100 8.4340 123.1498 56.3377 33.0054 175.3633 130 A 4.4738 8.5900 129.2854 51.6105 19.4488 177.0434 131 D 4.6107 8.1420 122.6701 53.8458 41.5870 175.8670 132 P 4.4414 0.0000 0.0000 62.0919 31.4576 178.3278 133 C 4.5542 8.6470 116.2262 57.5280 41.0691 173.9509 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 S 8.09 5.11 0.00 4.16 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 0.00 2 L 8.21 3.78 0.00 1.27 1.60 0.81 0.98 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 3 F 8.28 4.37 0.00 3.18 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 4 E 8.10 4.10 0.00 1.80 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 1.47 2.28 0.00 5 L 8.17 4.10 0.00 2.06 1.91 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.48 3.68 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 0.00 0.00 0.00 7 K 8.24 3.99 0.00 2.03 2.14 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.46 7.81 8 M 8.65 4.07 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.15 0.00 9 I 8.00 3.62 2.02 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.82 0.00 0.00 10 L 8.19 4.28 0.00 1.75 1.89 0.83 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.10 3.70 0.00 1.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 1.81 2.45 0.00 12 E 8.60 4.29 0.00 1.95 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 0.00 2.56 2.42 0.00 13 T 8.52 4.31 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 1.13 0.00 0.00 *15 G 7.68 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 0.00 0.00 0.00 0.00 16 K 7.91 4.43 0.00 1.82 1.56 0.00 1.51 0.00 0.00 1.19 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.44 7.81 17 N 8.53 4.40 0.00 2.74 2.71 0.00 0.00 7.07 7.71 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 18 P 0.00 4.44 0.00 2.26 2.18 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 19 A 8.06 4.03 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 20 K 8.41 3.93 0.00 1.78 1.93 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.58 7.81 21 S 7.92 4.60 0.00 3.27 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 22 Y 8.22 4.90 0.00 3.15 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 23 G 8.40 3.83 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 0.00 0.00 0.00 24 A 7.30 4.84 1.38 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 0.00 0.00 25 Y 8.46 5.51 0.00 3.07 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 26 G 7.87 3.54 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 0.00 0.00 0.00 27 C 9.09 4.72 0.00 3.17 3.16 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 28 N 8.77 4.67 0.00 3.07 2.83 0.00 0.00 6.93 7.21 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 29 C 8.58 4.61 0.00 3.50 3.43 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 30 G 8.62 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 0.00 0.00 0.00 31 V 8.19 3.92 2.10 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 0.76 0.00 0.00 0.96 0.00 0.00 32 L 8.59 3.53 0.00 1.81 1.76 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.74 0.00 1.48 1.74 0.00 2.21 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 35 G 9.34 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 0.00 0.00 0.00 0.00 36 K 8.82 4.09 0.00 1.51 1.66 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.40 1.32 7.81 37 P 0.00 4.55 0.00 1.86 2.01 0.00 3.39 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.93 0.00 38 K 9.60 3.86 0.00 0.79 0.74 0.00 1.43 0.00 0.00 1.42 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.10 0.33 7.81 39 D 7.28 4.48 0.00 2.87 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 40 A 8.77 3.93 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 41 T 8.07 3.80 4.36 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 0.78 0.00 0.00 42 D 8.96 4.49 0.00 3.02 2.86 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 43 R 8.42 3.88 0.00 1.97 1.99 0.00 3.09 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 44 C 8.32 4.19 0.00 3.13 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 45 C 7.91 4.18 0.00 3.17 3.30 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 0.00 46 Y 8.13 4.00 0.00 3.19 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 47 V 8.51 3.71 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 0.97 0.00 0.00 1.05 0.00 0.00 48 H 8.49 3.98 0.00 3.15 3.23 0.00 5.64 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 49 K 8.25 3.65 0.00 1.71 1.70 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.32 7.81 50 C 7.90 4.24 0.00 3.07 3.11 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 51 C 8.21 4.36 0.00 3.04 3.24 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 52 Y 8.05 4.30 0.00 3.20 2.85 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 53 K 8.01 3.84 0.00 2.00 1.86 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.65 7.81 *57 K 7.77 4.46 0.00 1.87 1.92 0.00 1.81 0.00 0.00 2.36 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.63 7.81 58 L 7.44 4.15 0.00 1.66 1.53 0.69 0.70 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 59 T 8.29 4.35 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 1.20 0.00 0.00 60 G 10.04 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 0.00 0.00 0.00 61 C 7.48 5.04 0.00 3.28 3.12 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 *67 D 8.69 4.72 0.00 2.70 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 68 P 0.00 3.88 0.00 1.10 0.92 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 *69 K 8.96 4.05 0.00 1.67 1.84 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.24 7.81 70 K 8.12 4.18 0.00 1.76 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.01 7.81 71 D 8.27 4.53 0.00 2.88 2.73 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 72 R 8.68 4.63 0.00 1.83 1.84 0.00 3.27 0.00 0.00 3.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 73 Y 7.45 4.88 0.00 3.34 3.10 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 74 S 9.50 5.15 0.00 3.95 3.83 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 75 Y 8.15 5.51 0.00 3.25 3.14 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 76 S 9.66 4.79 0.00 3.80 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 77 W 9.07 5.38 0.00 3.29 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 78 K 8.66 4.41 0.00 1.65 1.61 0.00 2.01 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.20 7.81 79 D 9.17 4.20 0.00 2.64 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 80 K 7.24 2.00 0.00 1.59 1.50 0.00 1.91 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.28 7.81 81 T 6.41 4.46 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 1.16 0.00 0.00 82 I 8.58 4.66 1.93 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 1.44 0.92 0.69 0.00 0.00 83 V 9.59 4.38 2.18 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 0.92 0.00 0.00 1.01 0.00 0.00 84 C 9.01 4.83 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.02 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 86 E 9.18 4.21 0.00 1.94 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 2.31 2.43 0.00 87 N 8.41 4.07 0.00 2.87 2.14 0.00 0.00 6.65 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 88 N 8.55 4.90 0.00 2.81 2.88 0.00 0.00 5.91 7.76 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 *90 P 0.00 4.25 0.00 2.21 2.16 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 C 8.21 4.18 0.00 3.06 3.17 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 92 L 8.38 3.60 0.00 2.01 1.71 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.51 3.85 0.00 1.99 1.94 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.44 7.81 94 E 8.54 3.92 0.00 2.13 1.95 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 2.30 2.54 0.00 95 L 8.42 3.83 0.00 1.73 1.54 0.97 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.71 3.60 0.00 1.96 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 97 E 8.36 3.85 0.00 2.12 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 2.52 2.47 0.00 98 C 8.54 4.30 0.00 3.35 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 99 D 8.48 4.41 0.00 2.95 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 0.00 100 K 8.70 3.86 0.00 1.70 1.96 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 101 A 8.35 3.97 1.38 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 0.00 0.00 102 V 7.92 3.54 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 0.60 0.00 0.00 0.78 0.00 0.00 103 A 8.03 3.81 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 0.00 104 I 7.89 3.62 1.99 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 1.43 0.70 0.90 0.00 0.00 105 C 8.48 4.36 0.00 3.04 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 0.00 106 L 7.93 3.78 0.00 1.38 1.10 -0.17 0.62 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 0.00 107 R 8.07 4.03 0.00 2.00 2.09 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 108 E 8.46 4.08 0.00 2.09 2.01 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 2.35 2.50 0.00 109 N 7.75 4.95 0.00 2.85 2.83 0.00 0.00 6.88 6.88 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 0.00 110 L 8.05 4.26 0.00 1.96 1.76 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.27 3.74 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 0.00 0.00 0.00 112 T 7.68 4.54 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 1.26 0.00 0.00 113 Y 8.06 4.00 0.00 3.12 2.97 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 0.00 114 N 9.04 4.85 0.00 2.62 2.41 0.00 0.00 6.92 6.79 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 0.00 115 K 8.88 4.09 0.00 1.90 1.91 0.00 1.78 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.66 7.81 116 K 8.29 3.90 0.00 1.64 1.76 0.00 1.32 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.68 0.54 7.81 117 Y 7.56 4.36 0.00 1.86 1.90 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 0.00 118 R 6.88 3.55 0.00 1.87 1.23 0.00 2.95 0.00 0.00 2.98 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.47 0.00 119 Y 7.15 4.60 0.00 3.07 2.97 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 0.00 120 H 8.18 4.04 0.00 3.23 3.40 0.00 5.92 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.43 4.06 0.00 1.24 1.16 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *122 K 8.85 4.01 0.00 1.77 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.08 7.81 123 P 0.00 4.26 0.00 1.47 1.91 0.00 3.23 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 1.83 1.95 0.00 *125 F 7.55 5.16 0.00 3.07 2.97 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 0.00 126 C 7.98 5.18 0.00 3.08 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 0.00 127 K 8.61 4.20 0.00 1.73 1.74 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.46 7.81 *129 K 8.43 4.41 0.00 1.81 1.77 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 130 A 8.59 4.47 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 0.00 131 D 8.14 4.61 0.00 2.66 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 0.00 132 P 0.00 4.44 0.00 2.09 1.84 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.62 0.00 133 C 8.65 4.55 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.