NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 E 4.2349 8.4449 116.7575 56.1052 31.8058 174.7181 5 N 4.2167 8.4401 112.8127 52.9288 36.3105 169.7364 *8 V 4.2041 7.1147 118.0833 62.6964 34.5491 174.5079 9 K 4.8512 8.8506 126.0291 54.9961 36.1705 174.8501 10 L 4.6572 8.5410 124.4718 54.4187 43.9843 174.9579 11 I 4.7886 8.3346 125.8949 59.4578 40.1196 173.9297 12 A 4.9345 8.9870 129.8337 50.0188 20.7503 175.4897 13 L 4.7665 8.6731 125.2242 53.4318 45.1065 174.5564 14 Y 5.2772 9.1133 124.4029 56.3137 40.4434 175.8629 15 E 4.7293 9.0312 124.3780 55.5443 31.1397 176.5378 16 Q 3.9011 7.9837 120.8413 55.6033 28.7755 175.6665 17 P 4.3824 0.0000 0.0000 62.0988 32.4428 176.3560 18 E 3.9344 8.6248 119.4018 58.5214 29.8263 176.9244 19 D 4.7519 7.6828 117.9278 51.7396 42.5299 175.8967 20 K 3.9352 8.3439 127.0310 59.0107 32.2163 178.7695 21 Q 4.0223 8.2156 119.3138 59.2054 29.0852 178.0471 22 A 4.0678 8.4240 121.8198 55.0111 18.4444 179.3047 23 F 4.1619 8.4870 119.1665 61.7295 39.5271 177.1024 24 D 4.8596 8.9807 118.9039 57.5372 40.6060 178.6701 25 E 4.0289 8.4663 119.0382 59.7823 29.5202 178.9553 26 H 3.7735 8.2795 118.2327 59.0977 29.8349 176.5517 27 Y 3.0295 7.8689 121.5367 60.6171 38.3840 178.1722 28 F 4.2384 8.0839 117.1027 59.9266 39.2223 177.0661 29 N 4.6317 8.2501 114.9108 54.4301 39.0930 176.0502 30 T 4.2411 7.1740 114.1369 65.0588 70.6621 175.7192 31 H 4.0383 8.1730 121.1958 58.5075 29.8166 177.0384 32 A 3.6411 7.5274 122.8810 54.7050 17.9577 177.7210 33 P 4.1100 0.0000 0.0000 65.6749 31.7803 178.4639 34 L 4.0775 7.5962 117.2048 58.1749 41.5593 179.7541 35 T 3.9002 7.8381 115.6278 66.5811 68.1776 176.7880 36 R 4.0844 8.0132 118.5614 58.1138 30.1410 178.2579 37 K 4.3091 7.5627 116.7138 56.2803 32.7314 177.0240 38 I 3.9063 7.5110 122.4600 60.1945 37.4254 173.8585 39 P 4.4538 0.0000 0.0000 64.1462 31.5854 176.7887 40 G 4.0719 8.9508 111.4404 44.9944 0.0000 173.3813 41 L 3.2537 7.4441 121.7731 55.1648 42.3334 176.4900 42 R 4.3208 8.3388 125.3428 57.5630 31.5125 175.2447 43 D 4.3605 7.3058 113.7984 53.2038 43.6925 173.1557 *45 K 4.2211 8.4036 116.6143 56.5299 33.7416 175.0546 46 V 4.6971 8.5983 124.3445 61.4220 33.4423 174.5698 47 T 4.6484 8.4569 123.9929 61.7551 71.2179 173.3181 48 R 4.2317 8.6422 126.2303 55.7670 31.1145 176.0691 49 I 4.2275 8.2831 125.8775 60.5292 37.5832 176.3494 50 V 4.1467 9.3070 119.8166 60.3394 32.5700 176.2702 51 G 3.9092 6.8227 106.2876 45.5904 0.0000 171.0748 52 S 4.8273 7.9758 114.2615 55.4659 65.5240 172.7254 53 P 4.2438 0.0000 0.0000 63.8119 32.1472 177.1546 *55 G 4.0224 7.5153 109.1178 45.6306 0.0000 175.5813 56 E 4.5461 8.7434 124.0985 55.3606 30.3901 175.1780 57 S 4.8205 8.0868 114.6380 56.0319 64.7655 174.2209 58 K 3.7813 8.4883 126.3509 58.5998 32.1433 176.2886 59 F 5.0852 7.8853 116.2470 56.1252 40.7688 175.0513 60 Y 4.6579 9.4392 121.8727 58.9540 41.7778 174.5372 61 L 5.1316 7.5227 118.2623 54.4151 45.9964 173.1658 *63 C 4.8689 8.5234 117.9408 59.6254 32.8496 173.0676 64 E 5.2802 8.8802 124.5207 53.7340 32.8922 174.7213 *66 Y 4.5506 8.1008 116.5474 58.4479 38.2782 174.3902 67 Y 4.9897 8.6907 119.9395 55.9640 42.0427 176.6101 68 D 4.5544 9.1552 120.4842 57.3827 41.3545 176.5986 69 D 4.4285 7.3006 114.9055 51.9164 43.5232 176.6868 70 H 4.1448 8.2888 116.5215 58.9899 28.5750 177.5583 71 E 3.9222 8.2135 120.5915 59.4842 29.3890 178.9501 72 S 4.1098 8.7333 115.5214 61.3513 62.6578 176.3892 73 L 3.0708 7.5582 122.0396 57.9881 41.8866 178.7062 74 Q 4.0593 7.8692 116.7571 59.1215 28.7165 178.6197 75 Q 4.1446 8.0647 117.8669 58.5476 29.1539 179.6567 76 A 4.0928 8.0171 121.5566 52.1777 18.3629 179.0523 *78 R 4.2677 7.9804 119.4289 57.2390 32.2420 176.8720 79 T 4.1477 7.4127 109.1657 61.3335 70.7575 174.8186 80 D 4.3508 8.6135 121.4707 57.7593 40.8189 179.1166 81 E 4.0881 8.1872 118.6804 59.1849 29.5076 179.3810 82 G 3.6386 8.3140 105.9337 47.8552 0.0000 175.9182 83 K 3.9823 8.3880 121.2648 59.0179 32.0466 179.3755 84 A 3.9870 8.2241 121.1920 55.0774 18.3149 179.6427 85 S 4.1501 8.3294 111.8632 61.4601 62.2754 176.5933 86 G 3.6870 8.1194 107.3998 47.7278 0.0000 175.2136 87 K 4.1266 8.1316 121.3270 59.1954 32.6472 178.0010 88 D 4.6267 8.3308 118.1211 57.1492 41.2067 179.4060 89 A 4.1948 8.2202 121.3363 51.7788 18.1692 179.4516 *91 K 4.1636 8.0136 122.9244 57.8660 33.8697 176.7304 92 F 4.4687 8.2222 111.4104 57.7856 38.7286 176.1523 93 A 4.3422 7.6339 123.4961 51.1012 21.8837 177.6681 94 G 3.6803 7.6279 104.6729 46.3178 0.0000 176.5189 95 K 4.1469 8.7226 123.1030 58.4746 32.5479 178.0424 96 L 4.0671 8.1714 120.4818 56.8586 41.7973 176.0643 97 L 4.6362 7.6235 121.2100 53.8157 43.1685 175.8731 98 T 4.6127 8.7288 123.0432 61.7956 71.3473 173.6644 99 L 5.4398 8.2143 124.9500 52.2133 44.9882 175.6837 *101 I 4.0415 8.1172 119.7335 61.4253 38.0217 175.7895 102 G 4.2170 9.1883 114.0488 44.3431 0.0000 171.7522 103 E 4.8644 8.6534 121.0770 54.3701 31.0102 175.8036 104 E 4.1937 8.5674 126.0033 55.1810 31.5297 176.1385 *106 D 4.4372 8.4157 118.6171 54.5966 41.3375 175.7778 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 E 8.44 4.23 0.00 2.01 1.81 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 2.13 1.91 0.00 5 N 8.44 4.22 0.00 2.89 2.95 0.00 0.00 7.18 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 *8 V 7.11 4.20 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 0.95 0.00 0.00 0.68 0.00 0.00 9 K 8.85 4.85 0.00 1.16 0.90 0.00 0.94 0.00 0.00 1.28 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 1.15 7.81 10 L 8.54 4.66 0.00 1.85 1.67 0.90 0.99 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 11 I 8.33 4.79 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.01 0.84 0.00 0.00 12 A 8.99 4.93 1.21 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 13 L 8.67 4.77 0.00 1.51 1.30 0.62 -0.21 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 14 Y 9.11 5.28 0.00 3.06 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 15 E 9.03 4.73 0.00 1.83 1.80 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 1.96 2.39 0.00 16 Q 7.98 3.90 0.00 1.75 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 17 P 0.00 4.38 0.00 2.01 1.67 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 0.00 18 E 8.62 3.93 0.00 2.23 2.03 0.00 0.00 0.00 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 1.86 0.00 19 D 7.68 4.75 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 20 K 8.34 3.94 0.00 1.84 1.91 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.88 1.25 7.81 21 Q 8.22 4.02 0.00 2.17 2.32 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 2.48 2.48 0.00 22 A 8.42 4.07 1.49 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 0.00 0.00 0.00 23 F 8.49 4.16 0.00 3.17 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 24 D 8.98 4.86 0.00 3.11 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 25 E 8.47 4.03 0.00 2.06 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 2.37 2.52 0.00 26 H 8.28 3.77 0.00 3.21 2.71 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.87 3.03 0.00 2.34 2.44 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 28 F 8.08 4.24 0.00 3.26 3.13 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 0.00 0.00 0.00 29 N 8.25 4.63 0.00 2.74 2.82 0.00 0.00 6.82 7.58 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 30 T 7.17 4.24 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 1.05 0.00 0.00 31 H 8.17 4.04 0.00 2.66 2.65 0.00 5.83 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 32 A 7.53 3.64 1.01 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 33 P 0.00 4.11 0.00 1.93 2.07 0.00 3.51 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 34 L 7.60 4.08 0.00 1.74 1.64 0.89 0.72 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 35 T 7.84 3.90 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 1.26 0.00 0.00 36 R 8.01 4.08 0.00 1.89 1.97 0.00 3.13 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 37 K 7.56 4.31 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.65 7.81 38 I 7.51 3.91 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.07 1.08 0.00 0.00 39 P 0.00 4.45 0.00 2.08 2.02 0.00 3.69 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 2.05 2.11 0.00 40 G 8.95 4.07 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 0.00 0.00 0.00 41 L 7.44 3.25 0.00 1.60 1.61 0.64 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.34 4.32 0.00 1.85 1.90 0.00 3.38 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 43 D 7.31 4.36 0.00 2.42 2.34 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 *45 K 8.40 4.22 0.00 1.93 1.86 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.61 7.81 46 V 8.60 4.70 2.28 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 1.00 0.00 0.00 1.16 0.00 0.00 47 T 8.46 4.65 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 48 R 8.64 4.23 0.00 1.91 1.75 0.00 3.31 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.23 0.00 49 I 8.28 4.23 2.04 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 1.23 0.86 1.04 0.00 0.00 50 V 9.31 4.15 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 0.74 0.00 0.00 0.93 0.00 0.00 51 G 6.82 3.91 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 0.00 0.00 0.00 52 S 7.98 4.83 0.00 3.93 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 53 P 0.00 4.24 0.00 2.07 2.14 0.00 3.73 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 2.05 2.11 0.00 *55 G 7.52 4.02 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 0.00 56 E 8.74 4.55 0.00 2.22 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 2.29 1.86 0.00 57 S 8.09 4.82 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 58 K 8.49 3.78 0.00 1.53 1.22 0.00 1.48 0.00 0.00 1.35 0.00 0.00 2.57 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 1.00 7.81 59 F 7.89 5.09 0.00 3.03 2.96 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 60 Y 9.44 4.66 0.00 2.83 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 61 L 7.52 5.13 0.00 1.51 1.51 0.43 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 *63 C 8.52 4.87 0.00 3.36 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 64 E 8.88 5.28 0.00 1.95 1.66 0.00 0.00 0.00 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 2.09 0.00 *66 Y 8.10 4.55 0.00 2.89 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 67 Y 8.69 4.99 0.00 2.88 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 68 D 9.16 4.55 0.00 2.73 2.77 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 69 D 7.30 4.43 0.00 2.87 2.75 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 70 H 8.29 4.14 0.00 3.21 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.88 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 3.92 0.00 2.13 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 2.38 1.98 0.00 72 S 8.73 4.11 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 3.07 0.00 1.42 1.74 0.41 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.87 4.06 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 75 Q 8.06 4.14 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.62 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 76 A 8.02 4.09 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 *78 R 7.98 4.27 0.00 1.94 2.02 0.00 3.33 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 79 T 7.41 4.15 4.41 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 0.00 0.00 0.00 1.29 0.00 0.00 80 D 8.61 4.35 0.00 2.71 2.77 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 81 E 8.19 4.09 0.00 2.07 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 2.56 2.44 0.00 82 G 8.31 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 83 K 8.39 3.98 0.00 1.96 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 84 A 8.22 3.99 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 85 S 8.33 4.15 0.00 3.89 4.05 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 86 G 8.12 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 0.00 0.00 0.00 87 K 8.13 4.13 0.00 1.87 2.04 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.47 7.81 88 D 8.33 4.63 0.00 3.00 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 89 A 8.22 4.19 1.46 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 *91 K 8.01 4.16 0.00 1.95 2.11 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.47 7.81 92 F 8.22 4.47 0.00 2.87 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 93 A 7.63 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.63 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 95 K 8.72 4.15 0.00 1.86 1.94 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 96 L 8.17 4.07 0.00 1.95 1.89 0.99 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.62 4.64 0.00 1.45 1.58 0.25 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.73 4.61 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 99 L 8.21 5.44 0.00 1.46 1.54 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *101 I 8.12 4.04 1.87 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 1.26 0.45 0.96 0.00 0.00 102 G 9.19 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 0.00 0.00 0.00 0.00 103 E 8.65 4.86 0.00 1.86 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 2.25 2.33 0.00 104 E 8.57 4.19 0.00 2.00 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 2.35 2.39 0.00 *106 D 8.42 4.44 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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.