NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.3460 8.3549 109.7075 45.5055 0.0000 169.7590 6 Y 3.2713 7.5874 123.2146 56.9819 37.0231 168.8461 7 Y 4.4723 9.0467 124.2060 58.2062 39.9748 175.1242 8 E 4.9589 8.9836 120.3411 55.6640 30.1577 178.2016 9 L 4.0085 7.8118 122.8342 59.0443 40.4766 178.1604 10 Y 4.6072 7.6433 115.4858 59.5358 37.6167 177.6144 11 R 4.3225 8.2548 119.4188 58.3610 30.0569 177.8659 12 R 4.4382 7.8523 116.4640 55.8505 30.7683 176.5551 13 S 4.6155 7.5785 114.6371 57.5114 64.6909 175.3868 14 T 3.8518 8.6982 117.0128 67.1205 68.1926 176.6307 15 I 3.8778 7.9179 119.8789 63.8439 38.0748 178.0630 16 G 3.3456 8.0620 107.9094 47.1372 0.0000 175.5018 17 N 4.3014 8.7376 119.5502 56.0845 38.5140 177.4636 18 S 4.0911 7.9177 116.4605 61.5885 62.8693 176.6376 19 L 3.7934 7.5951 122.3792 58.0393 41.7571 178.9087 20 V 3.4831 7.5235 118.0597 66.3063 31.5361 177.6067 21 D 4.3183 8.4735 118.4821 57.2486 40.6579 178.6372 22 A 3.9476 8.1261 121.2039 55.2342 18.4689 179.5471 23 L 3.9005 8.0188 117.3532 58.2236 41.7171 179.4522 24 D 4.3986 8.4332 119.0250 57.7596 40.6880 179.3432 25 T 3.8395 7.8115 115.6239 66.7519 68.5579 176.6752 26 L 3.9885 7.8898 120.8207 58.1859 41.3404 179.5975 27 I 4.0116 7.5661 120.2617 64.1986 37.1880 178.3522 28 S 4.2015 8.2099 116.0055 61.3429 62.8959 175.1129 29 D 4.5829 8.1987 121.3618 57.1404 42.1026 177.5013 30 G 4.2709 7.4271 107.2443 45.1179 0.0000 175.1293 31 R 4.5765 8.2920 119.3923 56.0325 29.8372 174.8482 32 I 3.7337 7.8280 120.4712 61.5484 37.5713 174.5086 33 E 3.8015 9.0093 124.6044 56.4060 29.0894 177.1839 34 A 4.2809 8.2217 127.1248 52.4707 20.0807 176.4215 35 S 4.4758 8.8451 117.0300 59.9618 61.7296 173.0116 36 L 3.9768 7.4052 120.3441 57.9134 41.7552 178.5725 37 A 3.9791 8.0609 120.3994 55.5010 18.1285 179.1644 38 M 3.9748 7.8451 116.0199 58.6792 32.5165 178.0697 39 R 3.8725 7.7815 118.5980 59.4761 30.1197 178.5190 40 V 3.5856 8.1083 118.1476 66.2200 31.5434 177.9825 41 L 4.0694 8.0386 118.5392 57.9305 40.8626 179.4544 42 E 4.2088 8.4751 118.8056 59.6248 29.2611 179.5680 43 T 3.8626 7.8501 115.7678 66.3643 68.4520 176.3165 44 F 4.1205 8.4674 122.9762 61.6175 39.1725 176.5885 45 D 4.3892 8.3721 118.3486 57.4807 40.7006 179.1925 46 K 2.8623 7.3198 118.5568 58.9912 32.1209 178.8686 47 V 3.3929 7.5908 118.6535 66.1341 31.3588 178.0148 48 V 3.2777 7.4398 117.6927 65.6918 31.1546 177.8040 49 A 3.9219 7.3917 119.5390 55.3446 18.3151 179.5269 50 E 3.9384 8.1321 116.9532 59.7475 29.4966 179.8186 51 T 3.7885 8.2177 116.1916 66.6757 68.3403 176.7420 52 L 4.1686 7.8691 119.4274 56.7339 41.5983 179.0404 53 K 4.1388 7.5152 118.8187 58.9326 32.5181 177.7081 54 D 4.7552 8.5759 116.6876 54.4391 41.4901 176.8145 55 N 5.0452 8.3316 117.3871 52.9698 39.3246 174.2959 56 T 4.7907 7.8698 106.4285 60.0754 71.8260 173.2751 57 Q 4.3650 8.4403 118.7129 57.0958 31.9288 176.5338 58 S 4.1765 8.0895 111.8843 59.0288 63.5225 173.4526 59 K 4.6320 8.5756 123.5437 54.7007 34.8310 174.9750 60 L 5.6576 8.5461 126.1419 52.6874 44.9278 175.9617 61 T 4.5782 8.2303 116.6000 61.9435 72.4381 172.8517 62 V 4.8040 8.5230 126.2571 60.9674 33.8586 174.7049 63 K 4.5062 8.8176 126.9371 54.7436 35.6590 176.3692 64 G 3.9115 7.9734 111.0114 46.0590 0.0000 171.2520 65 N 4.7206 7.9808 117.3535 52.2330 40.4646 174.7332 66 L 4.5977 8.4297 125.7538 54.1964 41.7705 175.4152 67 D 4.6443 8.9985 128.0033 57.4780 41.9764 176.5299 68 T 4.8794 7.7312 112.4028 62.7086 73.0785 172.2953 69 Y 5.8728 7.3314 121.4867 54.6738 41.9696 174.1285 70 G 4.1451 8.5503 103.6227 45.9710 0.0000 172.2211 71 F 4.6294 8.2822 123.7177 56.2815 42.5518 173.3579 72 C 4.0173 7.3924 121.4118 59.9281 35.3383 172.9662 73 D 4.1149 9.1968 124.7554 56.1991 37.8066 173.0871 74 D 4.5803 7.3251 111.0648 55.0415 39.3525 173.5788 75 V 4.4996 6.6251 118.0075 60.8799 34.7312 173.9883 76 W 5.0632 9.0031 127.7316 55.3453 31.6226 175.1498 77 T 4.9062 8.6627 120.8424 61.7345 71.2968 173.1526 78 F 5.5791 9.1915 123.9241 55.8810 43.9009 174.3776 79 I 5.0359 8.9884 121.7538 59.8530 40.4326 174.2860 80 V 4.7508 8.8804 128.4266 61.4251 33.2440 174.9030 81 K 4.9727 9.0807 127.0379 54.8201 35.2481 175.4341 82 N 4.4632 8.2822 119.1193 54.7679 36.5275 173.4050 83 C 5.1715 8.2755 113.3037 56.5255 33.8389 174.5395 84 Q 5.0390 8.9125 119.3519 54.1872 31.3727 174.6500 85 V 4.8698 9.2602 124.5543 61.3788 34.6039 174.1582 86 T 4.9916 8.9564 124.8464 61.8383 70.9995 173.3313 87 V 4.0984 8.5429 127.7162 62.5351 31.6786 175.7280 88 E 3.7861 9.1145 132.6400 58.0527 29.3110 175.0531 *104 S 4.2641 7.4633 110.8051 58.0186 64.1974 172.3441 105 V 4.8576 8.3264 123.8239 61.3212 33.2265 174.6000 106 I 4.6666 9.1292 128.8829 59.6311 40.2971 174.8077 107 S 5.2842 8.5846 120.1783 56.8351 65.9879 173.7572 108 V 4.3856 8.7243 122.9750 61.3991 34.3908 175.7062 109 D 4.4237 9.0227 127.7828 56.9251 41.8987 176.2723 110 K 4.9574 7.8688 118.0423 54.6888 35.1832 174.8580 111 L 4.8107 9.2622 129.6991 53.2218 45.1121 174.6716 112 R 5.0530 8.7334 126.2823 54.8203 31.9062 174.9991 113 I 4.7332 9.0735 126.9689 59.4867 40.6742 174.5858 114 V 4.8028 8.5754 125.3940 61.0317 34.1290 174.2661 115 A 4.8151 9.0791 129.3443 50.3839 21.9456 174.4073 116 C 4.8663 8.4394 119.4125 57.4170 30.5485 173.3537 117 N 4.5130 8.1230 121.1882 54.4822 38.3897 175.3508 118 S 4.4470 9.0098 120.0582 60.3755 63.9753 174.2394 119 K 4.2128 8.4472 124.8803 56.4870 31.8810 176.2482 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 5 G 8.35 3.35 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 0.00 6 Y 7.59 3.27 0.00 3.24 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 7 Y 9.05 4.47 0.00 2.96 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 8 E 8.98 4.96 0.00 2.09 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 2.63 2.33 0.00 9 L 7.81 4.01 0.00 1.75 1.79 0.03 0.20 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 10 Y 7.64 4.61 0.00 3.09 3.03 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 11 R 8.25 4.32 0.00 2.04 2.00 0.00 3.18 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 12 R 7.85 4.44 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 13 S 7.58 4.62 0.00 4.18 4.21 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 14 T 8.70 3.85 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 1.23 0.00 0.00 15 I 7.92 3.88 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.43 1.13 0.00 0.00 16 G 8.06 3.35 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 0.00 17 N 8.74 4.30 0.00 2.76 2.87 0.00 0.00 7.06 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 18 S 7.92 4.09 0.00 4.03 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 19 L 7.60 3.79 0.00 1.50 1.40 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.52 3.48 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 1.03 0.00 0.00 0.86 0.00 0.00 21 D 8.47 4.32 0.00 2.81 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 22 A 8.13 3.95 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 23 L 8.02 3.90 0.00 1.80 1.71 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.43 4.40 0.00 2.83 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 25 T 7.81 3.84 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 1.20 0.00 0.00 26 L 7.89 3.99 0.00 1.83 1.73 0.91 0.65 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 27 I 7.57 4.01 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.09 0.91 0.00 0.00 28 S 8.21 4.20 0.00 3.83 3.88 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 29 D 8.20 4.58 0.00 2.61 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 30 G 7.43 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.29 4.58 0.00 1.88 1.94 0.00 3.04 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 32 I 7.83 3.73 1.96 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 1.29 0.99 0.91 0.00 0.00 33 E 9.01 3.80 0.00 2.06 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 2.42 2.42 0.00 34 A 8.22 4.28 1.25 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 0.00 0.00 35 S 8.85 4.48 0.00 4.08 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 36 L 7.41 3.98 0.00 1.89 1.94 0.93 1.20 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 37 A 8.06 3.98 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 38 M 7.85 3.97 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 39 R 7.78 3.87 0.00 2.07 1.98 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 40 V 8.11 3.59 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 1.08 0.00 0.00 1.00 0.00 0.00 41 L 8.04 4.07 0.00 1.94 1.77 0.91 0.61 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 42 E 8.48 4.21 0.00 2.21 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 2.38 2.68 0.00 43 T 7.85 3.86 4.44 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 1.20 0.00 0.00 44 F 8.47 4.12 0.00 3.07 3.31 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 0.00 0.00 0.00 0.00 45 D 8.37 4.39 0.00 2.92 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 46 K 7.32 2.86 0.00 0.89 1.54 0.00 1.54 0.00 0.00 1.39 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 0.38 7.81 47 V 7.59 3.39 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 0.82 0.00 0.00 0.89 0.00 0.00 48 V 7.44 3.28 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 -0.30 0.00 0.00 49 A 7.39 3.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.94 0.00 1.96 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 2.34 2.43 0.00 51 T 8.22 3.79 4.13 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 1.14 0.00 0.00 52 L 7.87 4.17 0.00 1.49 1.64 0.27 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.52 4.14 0.00 1.87 2.04 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 54 D 8.58 4.76 0.00 2.62 2.69 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 55 N 8.33 5.05 0.00 2.77 2.76 0.00 0.00 6.75 7.37 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 56 T 7.87 4.79 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 1.23 0.00 0.00 57 Q 8.44 4.36 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 58 S 8.09 4.18 0.00 3.85 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 59 K 8.58 4.63 0.00 1.80 1.66 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.52 7.81 60 L 8.55 5.66 0.00 1.55 1.54 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.23 4.58 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 1.19 0.00 0.00 62 V 8.52 4.80 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 0.80 0.00 0.00 0.93 0.00 0.00 63 K 8.82 4.51 0.00 1.68 1.61 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.33 7.81 64 G 7.97 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 65 N 7.98 4.72 0.00 2.80 2.75 0.00 0.00 7.04 6.36 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 66 L 8.43 4.60 0.00 1.64 1.66 1.12 1.27 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 67 D 9.00 4.64 0.00 2.77 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 68 T 7.73 4.88 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 1.18 0.00 0.00 69 Y 7.33 5.87 0.00 3.34 3.21 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 70 G 8.55 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.28 4.63 0.00 1.51 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 0.00 0.00 0.00 72 C 7.39 4.02 0.00 2.64 2.36 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 73 D 9.20 4.11 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.33 4.58 0.00 2.80 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 75 V 6.63 4.50 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 0.85 0.00 0.00 0.75 0.00 0.00 76 W 9.00 5.06 0.00 3.28 2.38 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 77 T 8.66 4.91 4.15 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 0.00 0.00 0.00 1.23 0.00 0.00 78 F 9.19 5.58 0.00 2.99 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 79 I 8.99 5.04 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.01 0.96 0.00 0.00 80 V 8.88 4.75 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 1.03 0.00 0.00 0.95 0.00 0.00 81 K 9.08 4.97 0.00 1.68 1.68 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.55 7.81 82 N 8.28 4.46 0.00 2.77 2.81 0.00 0.00 6.78 7.56 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 83 C 8.28 5.17 0.00 3.06 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 84 Q 8.91 5.04 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 85 V 9.26 4.87 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 0.98 0.00 0.00 0.94 0.00 0.00 86 T 8.96 4.99 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 1.21 0.00 0.00 87 V 8.54 4.10 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 0.75 0.00 0.00 0.94 0.00 0.00 88 E 9.11 3.79 0.00 2.13 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 2.25 2.37 0.00 *104 S 7.46 4.26 0.00 3.93 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 0.00 105 V 8.33 4.86 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 0.88 0.00 0.00 0.93 0.00 0.00 106 I 9.13 4.67 1.88 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 1.23 0.75 0.92 0.00 0.00 107 S 8.58 5.28 0.00 3.71 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 0.00 108 V 8.72 4.39 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 1.05 0.00 0.00 0.94 0.00 0.00 109 D 9.02 4.42 0.00 2.73 2.71 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 0.00 0.00 0.00 0.00 110 K 7.87 4.96 0.00 1.72 1.64 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.45 7.81 111 L 9.26 4.81 0.00 1.76 1.49 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.73 5.05 0.00 1.88 1.83 0.00 3.25 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 113 I 9.07 4.73 2.25 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 1.14 0.00 0.00 114 V 8.58 4.80 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 0.70 0.00 0.00 0.91 0.00 0.00 115 A 9.08 4.82 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 0.00 116 C 8.44 4.87 0.00 2.20 1.62 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 0.00 117 N 8.12 4.51 0.00 2.81 2.88 0.00 0.00 7.19 7.52 0.00 0.00 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 S 9.01 4.45 0.00 4.10 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 0.00 119 K 8.45 4.21 0.00 1.94 1.80 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.34 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.