NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4922 8.3349 117.0999 57.4605 64.4629 173.5592 3 D 4.3801 7.9794 121.0286 54.3359 41.1793 174.8338 4 K 4.1453 8.7979 124.5499 57.6003 34.3121 176.8820 5 T 4.5989 8.2101 126.7688 60.9210 67.0244 175.3699 *7 K 4.5002 8.7261 121.6013 55.5959 33.6947 175.8273 8 D 4.7378 7.7995 116.2905 54.6400 39.9913 178.6408 9 I 3.6986 7.2572 122.5187 64.4695 37.1000 178.1183 10 Q 3.9702 8.0485 118.2896 58.7013 28.5953 178.3851 11 A 3.9876 7.6329 121.4280 55.3345 18.6371 179.1637 12 E 3.9402 9.1310 118.9437 59.4838 29.5665 179.3829 13 V 3.7323 7.8695 118.1242 66.1746 31.7087 177.4253 14 D 4.7892 8.5224 119.5339 56.9148 40.6925 178.6695 15 R 3.9662 7.9293 117.9158 59.3648 30.2035 178.0189 16 Y 4.4950 7.6983 119.2350 60.1483 39.1504 177.8548 17 I 3.9464 8.2250 121.2214 63.9285 37.0304 178.0212 18 G 3.7336 7.6953 102.2954 45.9791 0.0000 174.5249 19 Q 4.1631 7.9184 120.7913 58.3046 29.5550 178.3253 20 F 3.9441 8.5533 116.0987 58.7531 39.1530 175.9869 21 K 4.1190 7.3299 117.8138 57.4403 30.0546 174.9095 22 E 4.4619 7.7002 112.1889 55.4949 29.8418 176.5915 23 G 3.8499 7.9264 107.6930 45.2249 0.0000 172.8375 24 Y 4.3422 7.8486 116.4387 57.0017 38.8187 175.4756 25 F 5.2004 8.3531 119.6431 57.0356 40.0692 175.8730 26 S 4.3800 8.5152 116.7429 57.5236 62.9995 173.0735 27 P 4.2564 0.0000 0.0000 65.9582 31.2159 177.8398 28 L 4.1080 7.8619 115.9124 57.3259 42.2901 177.9552 29 A 4.0812 7.6891 122.8874 51.4121 16.5211 177.1268 *32 A 4.2492 7.9849 125.2242 51.5778 21.0788 179.6077 33 R 3.9744 8.0314 115.4805 59.4589 29.9618 178.3266 34 L 3.9536 7.9161 119.9119 58.4390 42.3047 178.8515 35 T 3.8797 7.9763 109.1573 64.5769 68.3523 175.6993 36 E 3.8950 7.9664 122.0498 59.4495 29.6572 178.6147 37 E 4.1253 8.0559 118.4897 58.9797 29.4837 179.0077 38 L 4.0502 8.2275 120.8050 58.2518 42.3726 179.3188 39 G 3.8695 8.1035 104.7514 46.9049 0.0000 175.1366 40 E 4.0408 7.7135 120.6866 58.9706 29.6757 178.3250 41 L 4.0749 8.2359 120.6778 57.9462 42.1583 178.6833 42 A 4.0334 8.4608 121.3067 55.0088 17.8418 179.4790 43 R 3.8332 7.9249 116.9659 59.6582 30.1002 178.6490 44 E 3.9968 7.8025 116.7524 59.5650 29.5016 179.3480 45 V 3.7258 7.7929 118.2564 66.2988 31.6402 177.3694 46 N 4.4363 8.3858 115.9901 55.7937 38.5387 176.2990 47 H 4.4988 7.3749 119.1663 58.3940 30.3852 176.7360 48 R 3.7432 8.3512 119.2101 58.2202 29.9282 176.1810 49 Y 4.8613 7.9565 112.3644 57.1060 40.5600 176.0993 50 G 4.3693 7.8269 110.2588 45.1244 0.0000 174.2433 51 E 4.6262 8.7359 122.0388 55.4503 30.5880 175.9288 52 K 4.3749 8.1242 120.7996 54.6370 33.9358 173.6525 53 P 4.7559 0.0000 0.0000 62.2983 32.0870 176.4521 54 K 4.2264 8.2814 122.2349 57.0381 33.9882 177.5330 55 K 4.4316 8.0323 121.4258 55.0418 33.5309 178.9359 56 A 3.1338 8.0739 114.4518 56.3013 19.7778 177.7267 *61 K 4.0687 7.6499 124.3848 54.5550 33.7025 179.0246 62 S 4.5592 8.0934 129.6993 57.0608 62.9223 171.9420 *64 E 4.2994 8.9158 117.3677 58.7901 31.5092 179.2175 65 E 3.9993 8.0354 117.4739 61.2283 29.4524 180.7973 66 E 4.3612 8.1767 119.9750 59.3940 29.4015 179.7079 67 I 3.9516 7.8015 119.5708 64.2206 37.2492 178.4904 68 G 3.6265 7.9328 106.2858 47.8611 0.0000 175.4972 69 D 4.4159 8.2871 121.1965 57.1791 40.7066 179.0799 70 V 3.6564 7.5673 117.6659 65.8482 31.5155 177.8518 71 L 3.9371 8.2201 120.3209 57.9722 41.8616 178.6748 72 F 4.0648 8.4437 120.7341 61.3832 39.4212 177.2385 73 V 3.4584 7.8095 117.3095 65.7284 31.2799 177.7075 74 L 3.8654 8.1279 120.3101 58.1180 41.8702 179.1741 75 V 3.4410 7.7893 118.1385 66.0791 31.3833 177.4015 76 C 3.5719 7.9987 116.7734 62.7487 27.9702 176.0068 77 L 3.6824 7.7460 121.1381 58.0852 41.6835 178.5582 78 A 3.9026 7.8533 120.6300 55.3934 18.1689 179.4762 79 N 4.1386 8.1325 115.1166 56.4670 38.4640 177.6177 80 S 4.1104 6.9626 114.2888 61.1549 62.7252 175.4740 81 L 4.4387 7.5240 120.1025 53.5706 43.4662 176.8218 82 D 4.3887 7.8991 116.3317 55.7210 38.6312 173.7410 83 I 4.4130 8.1573 118.4581 58.9938 40.8132 176.7132 84 S 4.3931 8.4459 119.0632 57.2296 62.7990 174.4396 85 L 3.9657 8.6180 132.0370 58.0762 41.9132 178.3036 86 E 3.9214 8.0815 118.8024 59.3091 29.7218 178.4825 87 E 3.9386 8.5914 118.7805 59.3391 29.5326 178.9601 88 A 3.9690 8.5562 121.1176 55.6356 18.1471 178.8313 89 H 3.9968 8.2093 115.5077 59.8858 30.0381 176.9179 90 D 4.4358 8.0709 119.6254 57.1139 40.9969 178.7859 91 R 4.0346 7.9985 119.4895 59.2184 30.0991 179.6496 92 V 3.3563 7.3492 115.0643 63.8272 31.2486 176.8498 *94 H 4.6027 8.3010 121.1430 56.2078 31.4807 176.0224 95 K 3.9041 7.8480 119.4584 57.5581 31.6238 180.2738 96 F 4.7293 7.7525 117.2367 59.8889 38.9893 176.0925 97 N 4.6462 8.1392 118.5855 55.1715 38.2299 176.2764 98 T 4.1866 8.3220 110.5403 60.7873 69.3315 177.7889 99 R 3.9566 9.1027 117.2123 57.8142 27.7431 176.5026 100 D 4.7962 7.5037 121.7817 54.9769 41.3530 173.9230 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 S 8.33 4.49 0.00 3.65 3.81 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 3 D 7.98 4.38 0.00 2.74 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 4 K 8.80 4.15 0.00 1.75 1.77 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.44 7.81 5 T 8.21 4.60 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 *7 K 8.73 4.50 0.00 1.70 1.89 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 8 D 7.80 4.74 0.00 2.90 2.95 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 9 I 7.26 3.70 1.88 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 1.54 1.05 0.93 0.00 0.00 10 Q 8.05 3.97 0.00 2.09 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 11 A 7.63 3.99 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 12 E 9.13 3.94 0.00 2.06 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 2.38 2.38 0.00 13 V 7.87 3.73 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 0.91 0.00 0.00 1.12 0.00 0.00 14 D 8.52 4.79 0.00 2.85 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 15 R 7.93 3.97 0.00 2.12 2.03 0.00 3.26 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 16 Y 7.70 4.49 0.00 3.07 3.28 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 17 I 8.22 3.95 1.75 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.41 0.30 0.00 0.00 18 G 7.70 3.73 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 0.00 0.00 0.00 19 Q 7.92 4.16 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 20 F 8.55 3.94 0.00 2.95 3.25 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 21 K 7.33 4.12 0.00 1.84 1.82 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.66 7.81 22 E 7.70 4.46 0.00 2.23 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 2.28 2.24 0.00 23 G 7.93 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 24 Y 7.85 4.34 0.00 3.11 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 25 F 8.35 5.20 0.00 3.07 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 26 S 8.52 4.38 0.00 3.89 3.73 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 27 P 0.00 4.26 0.00 2.08 2.13 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 28 L 7.86 4.11 0.00 1.62 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.69 4.08 1.10 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 *32 A 7.98 4.25 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 33 R 8.03 3.97 0.00 2.18 2.07 0.00 3.42 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 34 L 7.92 3.95 0.00 1.77 1.65 0.92 0.77 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 35 T 7.98 3.88 4.25 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 1.22 0.00 0.00 36 E 7.97 3.89 0.00 2.24 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 0.00 2.33 2.37 0.00 37 E 8.06 4.13 0.00 2.15 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 2.55 2.53 0.00 38 L 8.23 4.05 0.00 1.77 1.81 0.94 0.89 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 39 G 8.10 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 40 E 7.71 4.04 0.00 2.34 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 2.31 2.32 0.00 41 L 8.24 4.07 0.00 1.88 1.83 0.96 1.42 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 42 A 8.46 4.03 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 43 R 7.92 3.83 0.00 2.07 2.18 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 44 E 7.80 4.00 0.00 2.27 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 2.34 2.48 0.00 45 V 7.79 3.73 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 1.19 0.00 0.00 1.05 0.00 0.00 46 N 8.39 4.44 0.00 3.09 2.82 0.00 0.00 6.81 7.98 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 47 H 7.37 4.50 0.00 3.24 3.48 0.00 5.84 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.35 3.74 0.00 1.52 1.09 0.00 3.09 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.25 0.00 49 Y 7.96 4.86 0.00 3.14 2.89 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 0.00 0.00 0.00 50 G 7.83 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 0.00 0.00 0.00 0.00 51 E 8.74 4.63 0.00 2.04 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 2.17 2.26 0.00 52 K 8.12 4.37 0.00 1.83 1.84 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.42 7.81 53 P 0.00 4.76 0.00 2.26 2.09 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 54 K 8.28 4.23 0.00 1.81 1.76 0.00 1.45 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.77 1.18 7.81 55 K 8.03 4.43 0.00 1.78 1.67 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 0.98 7.81 56 A 8.07 3.13 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 *61 K 7.65 4.07 0.00 1.81 1.70 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 62 S 8.09 4.56 0.00 3.65 3.69 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 *64 E 8.92 4.30 0.00 2.04 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 2.28 2.32 0.00 65 E 8.04 4.00 0.00 2.01 1.94 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 2.31 1.97 0.00 66 E 8.18 4.36 0.00 2.02 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 2.60 2.52 0.00 67 I 7.80 3.95 2.03 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 1.60 0.62 0.93 0.00 0.00 68 G 7.93 3.63 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 0.00 0.00 0.00 69 D 8.29 4.42 0.00 2.86 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 70 V 7.57 3.66 2.24 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 1.10 0.00 0.00 1.00 0.00 0.00 71 L 8.22 3.94 0.00 1.81 1.85 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.44 4.06 0.00 3.23 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 73 V 7.81 3.46 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 0.99 0.00 0.00 1.17 0.00 0.00 74 L 8.13 3.87 0.00 1.95 1.80 0.89 1.15 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 75 V 7.79 3.44 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 0.96 0.00 0.00 0.91 0.00 0.00 76 C 8.00 3.57 0.00 2.81 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 77 L 7.75 3.68 0.00 1.62 1.71 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.85 3.90 1.30 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 0.00 0.00 79 N 8.13 4.14 0.00 2.30 2.83 0.00 0.00 6.77 7.73 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 80 S 6.96 4.11 0.00 3.95 3.45 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 81 L 7.52 4.44 0.00 1.58 1.67 0.88 1.12 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 82 D 7.90 4.39 0.00 2.70 2.64 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 83 I 8.16 4.41 1.97 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 1.15 0.70 0.88 0.00 0.00 84 S 8.45 4.39 0.00 3.87 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 85 L 8.62 3.97 0.00 1.77 1.64 0.89 0.81 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 86 E 8.08 3.92 0.00 2.07 1.93 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 2.39 2.41 0.00 87 E 8.59 3.94 0.00 2.18 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 2.33 2.33 0.00 88 A 8.56 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 89 H 8.21 4.00 0.00 3.18 3.55 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.07 4.44 0.00 2.71 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 91 R 8.00 4.03 0.00 2.04 1.97 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 92 V 7.35 3.36 2.20 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 0.79 0.00 0.00 0.91 0.00 0.00 *94 H 8.30 4.60 0.00 3.35 3.49 0.00 5.73 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.85 3.90 0.00 1.86 1.71 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.29 7.81 96 F 7.75 4.73 0.00 3.05 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 97 N 8.14 4.65 0.00 2.70 2.86 0.00 0.00 6.79 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 98 T 8.32 4.19 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 99 R 9.10 3.96 0.00 1.94 2.03 0.00 3.30 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 100 D 7.50 4.80 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.