NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1048 8.4449 116.7220 55.4359 32.1896 177.0623 3 F 4.8764 7.5143 116.5632 55.6148 40.5048 176.3091 4 K 4.1190 8.2237 118.9330 59.6481 32.7506 178.6149 5 K 4.0200 8.0342 120.5337 59.0461 32.2323 178.6673 6 V 3.7295 7.7960 117.8623 65.3080 31.6222 177.6465 7 A 4.1334 8.0818 120.8015 54.5686 18.2051 179.6743 8 K 4.0185 8.0700 117.3256 60.1150 32.7220 179.4222 9 E 4.0056 7.9641 119.9365 59.4836 29.3239 179.3584 10 T 3.9164 8.0815 115.6947 66.3977 68.4354 176.6803 11 A 4.0118 8.0993 122.7789 55.3788 18.5530 179.8355 12 I 3.7236 7.5982 118.2723 64.6322 37.0147 178.9015 13 T 3.9718 7.7696 116.4158 66.3788 68.2618 176.8428 14 L 4.0528 8.2961 121.3361 57.8376 41.7016 179.0576 15 Q 3.9957 8.2624 119.5754 59.6152 28.9472 178.9688 16 S 4.1404 8.0019 115.4121 61.7709 62.9214 176.0941 17 Y 4.0926 8.3979 122.5040 60.7319 38.5206 178.0465 18 L 4.0199 8.7889 120.2896 57.9081 41.6829 179.5654 19 T 3.8443 7.9878 115.9554 66.7717 68.3602 175.9760 20 Y 3.9979 7.9201 121.4267 60.6834 38.8008 177.8682 21 Q 3.3978 7.7064 120.1359 58.4835 28.9997 177.8202 22 A 3.9238 7.9426 122.2001 55.1180 18.3993 179.8023 23 V 3.5214 7.7537 116.7631 65.9057 31.4001 178.3569 24 R 3.7084 7.5297 118.6909 59.0014 29.9028 178.1335 25 L 3.9139 7.7496 120.0969 58.3772 42.0648 179.0986 26 I 3.7284 7.9486 119.9191 64.4000 36.9236 178.3913 27 S 4.1594 8.2706 114.0970 61.2815 61.9120 176.3867 28 Q 3.9311 7.5035 120.1338 59.0299 28.3333 177.9127 29 Q 4.1667 7.7693 118.5972 59.3775 28.8616 179.6069 30 L 4.0610 8.3249 120.1556 57.8155 41.4258 179.6810 31 S 4.3468 8.1922 113.5037 61.3584 62.7350 175.8407 32 E 4.0733 7.7379 120.2824 59.2109 29.3200 177.7061 33 T 4.4331 7.6826 109.7636 62.5937 70.0550 174.1275 34 N 5.0893 8.6191 118.8328 50.1120 39.9926 173.0836 35 P 4.3831 0.0000 0.0000 65.9893 31.7486 178.6415 36 G 3.7159 8.1459 104.9342 47.8307 0.0000 175.4227 37 Q 4.0934 8.1186 119.8640 58.5453 28.5892 178.6015 38 A 4.1051 8.0184 121.4196 55.1437 18.4360 179.6467 39 I 3.7330 7.8391 118.2915 64.3671 37.1876 178.1035 40 W 4.2664 8.4150 129.1165 60.8642 30.3317 177.7495 41 L 4.0560 8.8993 120.4396 57.8557 41.3471 179.1585 42 G 3.6508 7.9093 105.7103 47.5419 0.0000 175.6035 43 E 3.9268 7.9893 120.0621 59.1888 29.7491 179.0651 44 F 3.8062 8.0221 120.7891 61.1297 39.1223 177.4754 45 S 4.4513 7.7295 113.7780 60.8693 62.7269 175.8189 46 K 4.2221 7.4937 120.9703 57.4785 32.0407 177.1032 47 R 4.4411 7.1221 112.3903 55.8970 30.2341 174.8321 48 H 4.6293 7.5516 115.4693 53.8302 31.7385 171.2491 49 P 4.3996 0.0000 0.0000 62.2834 31.6748 177.3518 50 I 3.0495 8.2480 123.4306 63.1961 38.1360 176.8217 51 Q 4.0748 7.9151 118.1209 58.3581 28.9671 176.4090 52 E 4.3506 7.5680 118.7408 54.3610 28.3913 176.3628 53 S 4.1626 8.5490 117.4518 61.8847 62.4838 175.3969 54 D 4.4647 8.0888 120.5565 57.3474 40.8037 178.6751 55 L 4.1082 7.9674 119.0563 57.6159 41.3931 178.8475 56 Y 4.1283 7.9642 119.1553 60.8113 38.9322 177.6360 57 L 4.2143 8.1084 118.4268 57.4978 41.7148 178.8770 58 E 4.3604 7.8199 117.5732 57.9762 30.6879 178.0350 59 A 4.2585 7.4541 120.7991 52.2206 15.8170 177.1106 *62 L 4.3161 7.7554 118.9294 54.0532 44.0317 177.4933 63 E 4.4457 8.0819 115.4995 56.8644 32.6143 175.8459 64 N 4.4720 7.5058 118.0272 51.7255 40.3842 174.3872 65 K 4.0267 8.3487 128.3558 58.6828 32.4474 178.4749 66 E 3.8673 8.1367 119.4031 59.4100 29.5388 178.6320 67 L 4.0079 7.8553 120.0423 57.7129 42.0937 179.0626 68 V 3.6026 7.4338 117.7231 66.0734 31.5441 178.1007 69 L 4.0794 7.7952 118.1706 57.3554 41.3998 179.5158 70 R 3.8762 7.8304 118.6240 59.5157 30.0784 178.5506 71 I 3.7579 7.7495 119.6012 64.4268 36.5337 178.4901 72 L 4.0418 8.0657 119.7857 57.9798 41.4484 179.7036 73 T 3.8855 7.7526 115.2243 66.5748 68.3604 176.9987 74 V 3.5665 7.8253 120.3173 66.0381 31.6648 178.2706 75 R 3.9414 8.1220 115.7716 59.1922 29.0800 178.4231 76 E 3.9852 7.8532 119.3233 59.0626 29.4088 178.4152 77 N 4.3589 7.9874 115.7651 56.1875 38.9353 176.9590 78 L 4.1102 8.2905 120.4751 57.8390 41.7805 179.1317 79 A 4.0227 7.9943 120.4109 55.7105 18.1173 179.6866 80 E 4.1273 8.2898 114.9920 58.7378 29.5423 178.9467 81 G 3.9899 7.8645 104.1942 45.2847 0.0000 174.9042 82 V 4.4129 7.5978 118.6623 64.5079 33.2097 177.0014 83 L 4.0434 7.8697 118.9274 58.1354 41.3096 179.5202 84 E 3.8648 8.0260 115.3564 59.2243 29.5267 178.3194 85 F 4.4186 7.4483 116.2940 58.4662 39.2147 177.2378 86 L 4.2196 7.7681 119.4058 57.1725 41.7947 176.9454 87 P 4.4367 0.0000 0.0000 65.5796 31.4447 179.7601 88 E 3.7378 7.9862 114.3204 57.0653 29.3647 179.2103 *90 V 3.9955 7.9233 120.7059 62.9272 33.5372 177.3045 91 L 3.9187 7.9341 120.9810 58.1213 41.8944 178.7469 92 S 4.0972 7.9403 112.7150 61.6194 62.3953 176.2246 93 Q 4.0180 8.0094 120.1574 59.0685 28.4280 178.6872 94 I 3.7901 8.1118 121.1569 64.0961 37.0226 178.7005 95 K 3.9624 8.0485 119.5918 59.5011 31.9608 179.2481 96 Q 3.9315 8.2159 119.7385 58.6590 28.8009 178.1714 97 S 3.9766 7.7951 113.9454 61.1040 62.5875 175.3696 98 N 4.3212 8.3356 119.7991 56.6466 38.3793 177.4090 99 G 3.6492 8.2163 106.6681 47.9726 0.0000 175.4788 100 N 4.3813 7.8728 118.4406 56.3085 38.4713 177.4044 101 H 4.3368 8.4231 117.9752 58.9518 28.9744 178.0448 102 R 3.9195 8.5994 120.2451 59.2089 29.6403 179.1054 103 R 3.8856 7.8702 117.5561 59.5811 30.0910 178.3002 104 S 4.2529 8.1406 112.8791 60.9931 62.5207 175.7660 105 L 4.0922 8.1626 123.4491 57.6236 41.5543 178.5457 106 L 4.1184 7.6370 119.3808 57.7382 42.0567 177.7462 107 E 4.1306 7.6525 116.8196 59.3489 29.5024 177.5371 108 R 4.4642 7.3477 115.5765 56.1005 30.4956 176.5350 109 L 4.2078 7.6996 123.2822 55.2596 42.7336 176.0582 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 E 8.44 4.10 0.00 2.01 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 2.13 1.91 0.00 3 F 7.51 4.88 0.00 3.24 3.01 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 4 K 8.22 4.12 0.00 1.98 2.12 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.45 7.81 5 K 8.03 4.02 0.00 1.85 1.84 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 V 7.80 3.73 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 1.06 0.00 0.00 0.97 0.00 0.00 7 A 8.08 4.13 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 8 K 8.07 4.02 0.00 2.05 2.31 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 9 E 7.96 4.01 0.00 2.21 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 2.34 2.50 0.00 10 T 8.08 3.92 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 1.20 0.00 0.00 11 A 8.10 4.01 1.41 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 0.00 0.00 0.00 12 I 7.60 3.72 2.01 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 1.54 1.10 0.93 0.00 0.00 13 T 7.77 3.97 4.42 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 1.20 0.00 0.00 14 L 8.30 4.05 0.00 1.96 1.77 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.26 4.00 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 16 S 8.00 4.14 0.00 4.12 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 17 Y 8.40 4.09 0.00 3.18 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 18 L 8.79 4.02 0.00 1.72 1.72 0.98 0.84 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 19 T 7.99 3.84 4.42 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 1.22 0.00 0.00 20 Y 7.92 4.00 0.00 2.88 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 21 Q 7.71 3.40 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 22 A 7.94 3.92 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 23 V 7.75 3.52 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 1.07 0.00 0.00 1.09 0.00 0.00 24 R 7.53 3.71 0.00 1.43 1.69 0.00 2.87 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 25 L 7.75 3.91 0.00 1.85 1.78 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.95 3.73 1.95 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 1.41 0.57 0.93 0.00 0.00 27 S 8.27 4.16 0.00 3.92 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 28 Q 7.50 3.93 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 29 Q 7.77 4.17 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 30 L 8.32 4.06 0.00 1.83 1.74 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.19 4.35 0.00 4.02 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 32 E 7.74 4.07 0.00 2.18 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 2.35 2.25 0.00 33 T 7.68 4.43 4.38 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 1.21 0.00 0.00 34 N 8.62 5.09 0.00 2.68 2.66 0.00 0.00 6.59 8.07 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 35 P 0.00 4.38 0.00 2.27 2.33 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 36 G 8.15 3.72 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 0.00 0.00 0.00 37 Q 8.12 4.09 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 38 A 8.02 4.11 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 39 I 7.84 3.73 2.12 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 1.45 0.88 0.98 0.00 0.00 40 W 8.41 4.27 0.00 3.42 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 41 L 8.90 4.06 0.00 2.12 1.95 1.10 1.19 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 42 G 7.91 3.65 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 0.00 0.00 0.00 43 E 7.99 3.93 0.00 1.99 1.92 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 2.35 2.47 0.00 44 F 8.02 3.81 0.00 1.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.45 0.00 4.05 4.04 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 46 K 7.49 4.22 0.00 1.86 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.40 7.81 47 R 7.12 4.44 0.00 1.72 1.74 0.00 2.96 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.18 0.00 48 H 7.55 4.63 0.00 2.56 3.06 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.40 0.00 2.22 2.18 0.00 3.74 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 2.09 1.95 0.00 50 I 8.25 3.05 1.61 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.78 0.00 0.00 51 Q 7.92 4.07 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 52 E 7.57 4.35 0.00 2.13 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 2.30 2.40 0.00 53 S 8.55 4.16 0.00 3.90 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 54 D 8.09 4.46 0.00 2.77 2.74 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 55 L 7.97 4.11 0.00 1.75 1.75 1.00 0.82 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 56 Y 7.96 4.13 0.00 3.06 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 57 L 8.11 4.21 0.00 1.78 1.80 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.82 4.36 0.00 2.12 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 2.35 2.35 0.00 59 A 7.45 4.26 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 *62 L 7.76 4.32 0.00 1.96 1.82 0.94 1.01 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 63 E 8.08 4.45 0.00 2.05 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 2.35 2.47 0.00 64 N 7.51 4.47 0.00 1.97 2.27 0.00 0.00 7.22 6.54 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 65 K 8.35 4.03 0.00 1.80 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.44 7.81 66 E 8.14 3.87 0.00 1.96 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 2.33 2.33 0.00 67 L 7.86 4.01 0.00 1.65 1.71 0.94 1.34 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 68 V 7.43 3.60 2.21 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 0.99 0.00 0.00 0.94 0.00 0.00 69 L 7.80 4.08 0.00 1.84 1.69 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.83 3.88 0.00 2.02 1.92 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 71 I 7.75 3.76 2.10 0.00 0.00 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 1.60 0.71 0.99 0.00 0.00 72 L 8.07 4.04 0.00 1.85 1.73 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.75 3.89 4.39 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 1.21 0.00 0.00 74 V 7.83 3.57 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 1.11 0.00 0.00 0.99 0.00 0.00 75 R 8.12 3.94 0.00 2.09 2.26 0.00 2.85 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.66 0.00 76 E 7.85 3.99 0.00 2.27 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 2.32 2.36 0.00 77 N 7.99 4.36 0.00 2.92 2.88 0.00 0.00 7.07 7.99 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 78 L 8.29 4.11 0.00 1.85 1.74 0.88 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 79 A 7.99 4.02 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 80 E 8.29 4.13 0.00 2.08 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 2.35 2.34 0.00 81 G 7.86 3.99 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 0.00 0.00 0.00 82 V 7.60 4.41 2.32 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 1.20 0.00 0.00 1.02 0.00 0.00 83 L 7.87 4.04 0.00 2.01 1.73 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.03 3.86 0.00 1.87 1.86 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 1.47 1.68 0.00 85 F 7.45 4.42 0.00 3.19 3.19 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 0.00 86 L 7.77 4.22 0.00 1.93 1.74 0.99 0.92 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 87 P 0.00 4.44 0.00 2.13 2.07 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 88 E 7.99 3.74 0.00 2.08 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 2.41 2.32 0.00 *90 V 7.92 4.00 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 1.03 0.00 0.00 0.97 0.00 0.00 91 L 7.93 3.92 0.00 1.85 1.73 0.90 0.86 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 92 S 7.94 4.10 0.00 3.97 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 93 Q 8.01 4.02 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 94 I 8.11 3.79 1.86 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 1.51 0.80 0.90 0.00 0.00 95 K 8.05 3.96 0.00 1.97 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 96 Q 8.22 3.93 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 97 S 7.80 3.98 0.00 3.98 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 98 N 8.34 4.32 0.00 3.07 2.88 0.00 0.00 6.97 8.22 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 99 G 8.22 3.65 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 0.00 0.00 0.00 100 N 7.87 4.38 0.00 2.77 2.86 0.00 0.00 7.06 8.49 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 0.00 101 H 8.42 4.34 0.00 3.14 3.32 0.00 5.62 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 0.00 102 R 8.60 3.92 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 103 R 7.87 3.89 0.00 1.95 2.17 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 104 S 8.14 4.25 0.00 3.97 4.10 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 0.00 105 L 8.16 4.09 0.00 2.15 1.70 0.92 0.80 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 0.00 106 L 7.64 4.12 0.00 1.90 1.85 0.92 0.82 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 0.00 107 E 7.65 4.13 0.00 2.17 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 2.51 2.43 0.00 108 R 7.35 4.46 0.00 1.89 1.94 0.00 3.30 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 109 L 7.70 4.21 0.00 1.80 1.49 0.92 0.92 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 * Residues marked with a * may have inaccurate shift predictions.