NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4477 8.3349 117.1003 57.5011 64.7200 173.7351 3 D 4.7547 7.8102 120.6205 51.2125 42.1360 174.8630 4 K 3.9615 9.0023 125.2198 57.9607 34.4852 177.6125 5 T 4.4305 8.0867 122.5617 60.7159 67.8095 174.6980 *7 K 4.2394 8.7516 120.4992 58.6953 34.1514 178.2491 8 D 4.5007 8.3357 121.3828 58.0865 39.7613 182.5984 9 I 4.0085 7.7288 120.1017 64.3041 37.0559 178.4868 10 Q 3.9615 8.0379 118.3161 58.8857 28.6966 178.0922 11 A 4.0278 7.8567 121.7863 55.2675 18.4081 179.0383 12 E 3.9060 8.8369 117.8935 59.7715 29.8450 179.2288 13 V 3.8524 7.9937 118.0295 66.2067 31.4878 177.4632 14 D 4.7401 8.4192 119.2505 56.2745 40.8153 178.1965 15 R 3.8974 7.9946 118.9310 59.6505 30.4420 177.3340 16 Y 4.3073 8.0947 119.1476 61.1471 38.8148 178.1492 17 I 3.4809 8.1486 120.2966 64.3274 37.1547 178.6432 18 G 3.6639 8.1998 105.7625 47.0913 0.0000 175.3821 19 Q 4.0212 7.7834 119.3425 57.9713 29.0019 177.2542 20 F 4.2743 8.3022 117.5945 56.4031 38.9793 175.8477 21 K 4.1778 7.4748 116.9875 57.5407 30.1210 175.2582 22 E 4.3704 7.5721 114.5968 55.1468 30.7074 177.6023 23 G 3.7537 7.7301 108.4882 44.8311 0.0000 172.5090 24 Y 4.3270 7.9355 115.4334 56.1453 39.4142 175.5470 25 F 4.5261 8.3749 120.1413 57.4954 39.7500 175.8746 26 S 4.4426 8.6171 117.3344 57.5399 63.8126 173.2765 27 P 4.2431 0.0000 0.0000 66.0192 31.2003 177.9961 28 L 4.0409 7.9962 115.6094 57.7009 41.9241 178.2212 29 A 4.0581 7.6651 122.4693 52.1107 15.9624 177.1014 *32 A 4.2472 8.1284 124.0766 52.0167 21.1558 179.7124 33 R 3.8428 7.9575 114.7452 59.3333 30.0212 179.2277 34 L 3.9667 7.7933 117.9885 58.3282 41.5460 179.4265 35 T 3.9096 7.8896 113.5774 67.0382 68.5506 175.4063 36 E 3.9701 8.5048 121.4551 59.5944 29.5473 178.7306 37 E 3.9675 8.6982 118.5397 59.2751 29.6969 179.2745 38 L 4.1064 8.5517 120.8270 57.5637 41.9510 179.0475 39 G 3.6819 8.2172 106.1010 47.4010 0.0000 175.7581 40 E 4.0473 7.9704 120.4121 58.9902 29.6503 178.8632 41 L 3.9898 8.3767 120.7304 58.0402 42.3573 178.8727 42 A 4.0961 8.1783 120.5988 54.6315 18.2093 179.7609 43 R 3.9331 7.6584 117.8040 59.8164 30.2365 178.4500 44 E 4.0113 8.0398 118.1485 59.4126 29.4167 179.8490 45 V 3.8617 7.9097 119.2504 64.7187 31.3351 177.8851 46 N 4.4809 7.9449 116.3369 56.0633 38.5479 176.5920 47 H 4.1246 7.9882 119.2832 59.2360 30.2329 176.9422 48 R 4.1305 8.0486 116.8117 56.9803 30.1489 176.9399 49 Y 4.9398 7.6998 114.9001 57.8623 39.9911 175.4991 50 G 4.2551 7.9613 108.3871 44.7814 0.0000 173.5276 51 E 4.6113 8.3649 123.0677 56.8884 35.9384 182.3215 *61 K 4.2853 7.3710 120.4270 54.2519 33.5686 179.9341 62 S 5.4181 7.8627 111.0890 59.3815 62.5906 176.3782 *64 E 4.3152 8.3242 123.8688 56.1750 31.2997 177.6354 65 E 4.0203 8.0058 117.3802 59.4459 29.4123 178.9042 66 E 4.0800 8.7555 119.5839 58.5165 29.4226 179.3661 67 I 3.8784 7.6318 120.0448 64.0812 37.5485 178.1726 68 G 3.7022 8.1952 106.5477 47.8955 0.0000 175.3158 69 D 4.4767 8.2901 121.1643 57.2767 40.7439 179.2077 70 V 3.6370 7.4324 118.4041 65.9245 31.6254 177.7594 71 L 3.9450 8.0720 120.1374 58.0557 41.7390 178.6740 72 F 4.1954 8.7835 120.9943 61.4350 39.3326 177.1240 73 V 3.4038 7.7246 117.8393 66.0544 31.2823 177.7576 74 L 3.9058 8.2162 120.1633 57.9882 41.8279 179.1908 75 V 3.5672 7.7162 118.3756 65.8109 31.4924 177.7043 76 C 3.8868 8.0074 116.9005 62.8539 27.5587 175.9236 77 L 4.0640 8.3364 123.1187 57.3033 41.4909 178.9197 78 A 3.9013 7.5657 120.2612 55.3377 18.3283 179.4377 79 N 4.1647 8.2851 115.6743 56.2610 38.4184 177.7986 80 S 3.6935 7.9481 115.8448 60.2164 62.5084 175.6407 81 L 4.5194 7.0076 119.6596 53.4311 42.2057 175.9043 82 D 4.2926 7.7013 116.5719 55.6904 39.9207 173.5273 83 I 4.4108 7.8085 118.3137 59.3929 40.1688 176.6003 84 S 4.3863 8.4027 118.8349 57.4093 63.2489 174.7390 85 L 3.9641 8.6845 131.3450 58.0681 41.7993 178.2670 86 E 3.9009 8.1036 118.9381 59.3710 29.8100 178.1096 87 E 3.8804 8.4797 119.1663 59.4143 29.7186 178.8248 88 A 4.0137 8.2063 120.8199 55.1856 18.1922 179.1357 89 H 4.1487 8.1180 116.1517 59.3644 30.0201 176.8708 90 D 4.4778 8.1585 120.0109 57.5763 41.0345 178.1204 91 R 3.9453 7.8304 118.7007 59.7590 29.9894 179.1165 92 V 3.4119 7.4934 114.4127 63.9254 31.9767 177.1501 *94 H 4.5892 8.1200 117.8479 55.7194 31.5640 175.3641 95 K 3.9372 7.8542 118.0564 59.6855 31.6194 179.3189 96 F 4.5021 7.5093 116.1735 60.8987 38.8553 177.2803 97 N 4.5573 7.6980 114.7675 56.3010 38.3610 177.5408 98 T 3.9208 7.5137 119.1190 66.2553 68.9609 175.6499 *106 R 4.1276 7.2131 118.7379 56.6205 30.7944 177.9688 107 K 4.3072 8.5339 117.8455 55.4590 32.0614 177.8990 108 E 4.5299 7.9090 118.3839 56.1195 29.4242 175.4873 109 E 4.4529 8.7269 122.5738 56.2295 30.1429 178.5425 110 G 4.0346 7.8631 110.4854 48.4410 0.0000 175.9201 111 K 4.1385 7.9429 118.2585 58.4651 32.1330 177.5077 112 L 2.4400 7.7886 120.3117 55.6763 41.6818 175.3687 113 E 4.6400 7.2271 117.7032 58.0054 32.3403 175.7612 *114 H 4.2385 8.0248 119.9665 54.5854 27.8814 176.7447 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 4.45 0.00 3.65 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 3 D 7.81 4.75 0.00 2.71 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 4 K 9.00 3.96 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.47 7.81 5 T 8.09 4.43 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 8.75 4.24 0.00 1.81 1.88 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.46 7.81 8 D 8.34 4.50 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.01 1.89 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 1.66 0.62 0.95 0.00 0.00 10 Q 8.04 3.96 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 11 A 7.86 4.03 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 8.84 3.91 0.00 2.23 2.19 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 2.37 2.38 0.00 13 V 7.99 3.85 2.31 0.00 0.00 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 1.17 0.00 0.00 14 D 8.42 4.74 0.00 3.00 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 R 7.99 3.90 0.00 1.89 2.27 0.00 3.40 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 16 Y 8.09 4.31 0.00 3.25 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 17 I 8.15 3.48 1.45 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 1.90 0.96 0.13 0.00 0.00 18 G 8.20 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.78 4.02 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 20 F 8.30 4.27 0.00 2.88 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 21 K 7.47 4.18 0.00 1.78 1.82 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.33 7.81 22 E 7.57 4.37 0.00 1.91 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 2.18 2.44 0.00 23 G 7.73 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 0.00 0.00 0.00 24 Y 7.94 4.33 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 25 F 8.37 4.53 0.00 3.11 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 26 S 8.62 4.44 0.00 4.04 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 0.00 27 P 0.00 4.24 0.00 2.06 2.18 0.00 3.71 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 2.04 2.14 0.00 28 L 8.00 4.04 0.00 1.63 1.72 0.92 0.76 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 29 A 7.67 4.06 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 *32 A 8.13 4.25 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 33 R 7.96 3.84 0.00 1.75 1.97 0.00 3.12 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.00 34 L 7.79 3.97 0.00 1.67 1.71 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.89 3.91 4.35 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 1.20 0.00 0.00 36 E 8.50 3.97 0.00 2.18 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 2.31 2.35 0.00 37 E 8.70 3.97 0.00 2.05 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 2.51 2.54 0.00 38 L 8.55 4.11 0.00 1.83 1.84 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.22 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 40 E 7.97 4.05 0.00 2.19 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 2.40 2.36 0.00 41 L 8.38 3.99 0.00 1.91 1.80 0.95 1.24 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 42 A 8.18 4.10 1.43 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 0.00 0.00 43 R 7.66 3.93 0.00 2.02 2.04 0.00 3.12 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 1.64 1.68 0.00 44 E 8.04 4.01 0.00 2.05 2.00 0.00 0.00 0.00 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 2.44 0.00 45 V 7.91 3.86 2.17 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 0.86 0.00 0.00 1.06 0.00 0.00 46 N 7.94 4.48 0.00 3.08 2.99 0.00 0.00 6.76 7.77 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 47 H 7.99 4.12 0.00 3.32 3.41 0.00 5.80 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 48 R 8.05 4.13 0.00 1.53 1.05 0.00 3.09 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 49 Y 7.70 4.94 0.00 3.11 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 50 G 7.96 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 0.00 0.00 0.00 0.00 51 E 8.36 4.61 0.00 1.93 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 2.02 1.75 0.00 *61 K 7.37 4.29 0.00 1.70 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 62 S 7.86 5.42 0.00 3.84 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 *64 E 8.32 4.32 0.00 2.03 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 2.28 2.32 0.00 65 E 8.01 4.02 0.00 2.17 2.17 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 2.53 2.32 0.00 66 E 8.76 4.08 0.00 1.97 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 2.61 2.49 0.00 67 I 7.63 3.88 2.06 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 1.23 0.93 0.00 0.00 68 G 8.20 3.70 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 0.00 0.00 0.00 69 D 8.29 4.48 0.00 2.97 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 70 V 7.43 3.64 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 1.10 0.00 0.00 1.00 0.00 0.00 71 L 8.07 3.95 0.00 1.77 1.91 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.78 4.20 0.00 3.06 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 73 V 7.72 3.40 2.25 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 1.05 0.00 0.00 1.12 0.00 0.00 74 L 8.22 3.91 0.00 1.93 1.81 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.72 3.57 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 0.99 0.00 0.00 0.96 0.00 0.00 76 C 8.01 3.89 0.00 2.98 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 77 L 8.34 4.06 0.00 1.68 1.69 0.87 0.90 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 78 A 7.57 3.90 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 79 N 8.29 4.16 0.00 2.28 2.71 0.00 0.00 6.85 7.25 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 80 S 7.95 3.69 0.00 3.84 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 81 L 7.01 4.52 0.00 1.57 1.63 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.70 4.29 0.00 2.71 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 83 I 7.81 4.41 1.92 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 0.83 0.88 0.00 0.00 84 S 8.40 4.39 0.00 3.88 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 8.68 3.96 0.00 1.95 1.65 0.90 0.85 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 8.10 3.90 0.00 2.08 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 2.40 2.38 0.00 87 E 8.48 3.88 0.00 2.07 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 0.00 2.30 2.33 0.00 88 A 8.21 4.01 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 89 H 8.12 4.15 0.00 3.20 3.57 0.00 5.77 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 8.16 4.48 0.00 2.85 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 7.83 3.95 0.00 2.05 2.07 0.00 3.11 0.00 0.00 3.03 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 92 V 7.49 3.41 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 0.83 0.00 0.00 0.94 0.00 0.00 *94 H 8.12 4.59 0.00 3.37 3.50 0.00 5.92 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 95 K 7.85 3.94 0.00 1.54 1.65 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.46 7.81 96 F 7.51 4.50 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 97 N 7.70 4.56 0.00 2.95 2.87 0.00 0.00 7.07 7.42 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 98 T 7.51 3.92 4.33 0.00 0.00 0.00 0.00 0.00 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 *106 R 7.21 4.13 0.00 1.85 1.76 0.00 3.26 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 107 K 8.53 4.31 0.00 1.77 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 0.99 7.81 108 E 7.91 4.53 0.00 2.22 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 0.00 2.34 2.33 0.00 109 E 8.73 4.45 0.00 2.46 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 2.30 2.39 0.00 110 G 7.86 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.94 4.14 0.00 1.83 2.00 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.48 7.81 112 L 7.79 2.44 0.00 1.18 1.49 0.45 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.23 4.64 0.00 2.11 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 2.43 2.84 0.00 *114 H 8.02 4.24 0.00 2.97 2.83 0.00 7.29 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.