NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4001 8.3349 115.2940 58.5009 63.5713 173.1851 4 N 4.7292 8.5910 123.6575 53.0133 39.1463 175.0373 5 Q 3.9987 8.8184 121.5868 59.6780 29.6770 179.1518 6 T 3.8927 7.8859 115.6859 66.7683 68.5984 176.7904 7 V 3.6126 7.6848 119.5830 65.9180 31.6033 177.0647 8 Y 3.5520 8.0678 119.7178 60.9255 38.5352 178.4137 9 Q 4.0615 8.6786 119.2530 58.6047 28.5481 178.1994 10 F 3.8377 8.0140 121.1378 61.3921 39.7149 176.8577 11 I 3.8395 7.8457 118.9039 64.4817 36.7239 178.1969 12 A 3.8173 7.5623 119.9831 55.2044 18.3096 179.1223 13 E 4.0892 8.0483 114.8822 57.7079 29.9593 176.9259 14 N 5.1090 7.4803 116.6540 50.9409 40.1851 176.8732 15 Q 3.8373 8.3020 118.8495 59.3276 29.0043 178.0775 16 N 4.2573 7.9369 116.7468 56.2511 38.3096 177.2223 17 E 3.8613 7.8889 119.4401 59.3972 29.5629 179.2619 18 L 3.2849 7.6882 119.0208 57.2204 41.4970 179.2543 19 L 3.8838 7.7767 120.4544 58.1766 41.9290 178.9056 20 Q 3.9308 7.8085 119.0376 58.9436 29.0172 177.7811 21 L 3.8946 7.7960 121.3694 58.1352 42.0539 179.1197 22 W 4.1253 8.0759 119.1268 59.9321 28.7397 178.7927 23 T 4.0397 8.1339 115.8213 66.7489 67.8268 176.5281 24 D 4.4161 8.4929 121.1730 57.5762 40.7335 179.0361 25 T 3.8694 8.0688 116.1784 66.7029 68.4934 176.6084 26 L 3.8939 8.2694 120.9461 57.7573 41.7575 179.7876 27 K 3.6963 7.9782 119.6614 58.6726 31.7463 178.9882 28 E 3.8982 8.1080 118.6565 59.3918 29.8902 178.6325 29 L 4.0541 8.0339 119.3490 57.6506 41.6766 179.6646 30 S 4.3467 8.2194 114.4809 61.4038 62.7075 176.3447 31 E 4.1410 7.8948 120.7646 58.8680 29.2239 178.5112 32 Q 4.2240 7.8260 116.4751 56.3606 29.1739 175.7319 33 E 4.4589 7.7084 120.3821 54.4246 31.1566 176.3743 34 S 4.2928 8.3466 114.5057 61.3676 62.9901 173.7081 35 Y 4.9477 6.8389 115.8566 55.5258 40.8278 173.5164 36 Q 4.7803 8.5310 118.5095 53.9550 31.5823 176.3719 37 L 4.3798 8.7833 122.5639 54.2895 43.0188 176.6608 38 T 4.4153 7.8840 108.8308 61.1614 70.1554 175.2739 39 D 4.5820 8.8040 122.2005 57.9161 40.7141 179.0271 40 Q 4.0026 8.0766 119.4205 58.9839 29.0731 178.2796 41 V 3.5188 7.5328 119.0917 66.1940 31.5530 177.7258 42 Y 4.3848 7.4828 116.5483 61.0660 37.6917 177.8323 43 E 4.3584 8.6624 122.0531 58.9824 29.6475 178.7047 44 N 4.4265 8.5385 116.5885 56.1745 38.4609 177.4450 45 I 3.8578 7.9943 121.3524 64.6048 37.2528 178.5601 46 S 4.4182 8.4167 115.8800 61.7049 62.7408 176.7923 47 K 4.0775 8.4853 122.4355 59.5268 31.9681 178.4742 48 E 4.0491 8.7268 120.0217 59.3319 29.5548 178.2518 49 Y 4.2005 8.6498 119.9977 60.8877 38.9019 177.8589 50 I 3.9044 8.3447 120.8559 64.5798 36.9683 178.1064 51 D 4.3903 8.1588 118.8863 57.3062 40.9961 178.5423 52 I 3.8344 7.7340 120.2096 64.4250 37.1463 178.1394 53 L 3.9038 7.6677 119.5752 58.1288 41.3598 179.7898 54 L 4.1163 8.0634 116.7662 56.9287 41.6063 178.6360 55 L 4.4625 7.6689 116.9749 55.5858 41.8984 177.7690 56 S 5.3193 8.3162 117.3950 57.4007 63.9263 176.6040 57 V 3.9463 8.0140 124.1294 64.5883 31.4281 177.3010 58 K 4.0925 8.0163 120.9288 57.6904 32.7764 175.8438 59 D 4.4456 7.0549 117.7573 53.0608 40.7400 175.3050 60 E 4.2567 8.4517 115.8790 57.6400 30.2861 178.1474 61 N 4.4861 8.9192 118.9769 56.3848 38.8907 177.3202 62 A 3.9364 8.0319 119.5770 54.8986 18.8003 178.0426 63 A 5.0657 7.4385 116.2143 51.5902 19.0864 178.6763 64 E 3.8479 7.8395 123.0550 61.2458 29.5281 179.4521 65 S 4.1565 7.9723 113.2642 61.4145 63.5416 175.9500 66 Q 4.0086 8.0950 121.2585 58.7586 28.4830 178.8676 67 I 3.7323 8.3727 120.8859 64.5699 37.2050 178.3862 68 S 4.1255 8.0161 113.8105 61.5245 62.1804 176.0990 69 E 3.9857 8.4482 121.3875 59.1517 29.1037 179.0810 70 L 4.0950 8.2119 120.2612 58.1341 42.2130 178.8415 71 A 4.1516 8.2070 120.7764 55.1727 18.2566 179.3633 72 L 3.7086 7.9385 118.8594 58.1932 42.1394 179.2036 73 R 3.8226 8.1857 118.4877 59.2810 29.9604 178.1686 74 A 4.1046 8.4290 121.0355 55.2551 18.4545 179.7860 75 V 3.3780 7.6159 116.5299 66.3616 31.3490 178.4136 76 Q 4.0144 7.9527 116.7989 58.3095 28.6573 177.7078 77 I 4.1710 7.8050 111.7970 61.0765 38.0580 176.5143 78 G 3.9893 7.8305 108.7345 45.8619 0.0000 173.3416 79 L 4.1093 7.9995 120.4740 53.7280 43.0940 178.4319 80 S 5.0142 8.1464 119.0169 57.2026 62.7338 176.0932 *82 K 3.9782 8.8059 116.8452 56.1937 33.5931 177.0278 83 F 3.8921 8.4775 120.5289 61.2843 39.1570 176.8090 84 L 3.9326 8.2454 119.5885 58.2137 41.9395 178.8237 85 A 4.0490 7.6490 120.1783 55.2765 18.2767 179.5224 86 T 3.6063 7.8574 114.1420 66.5690 68.4087 176.6529 87 A 3.4633 7.7751 122.8872 55.0525 18.0885 179.7866 88 L 2.9434 7.5640 117.2430 57.2043 41.4371 179.5167 89 A 4.0799 7.8462 120.8607 55.4150 18.3233 179.6616 90 E 3.6686 7.9567 116.8328 59.0814 29.3950 179.5287 91 F 4.1904 8.0364 118.6337 60.3565 38.8334 177.6414 92 W 4.1242 7.5496 115.8525 59.0478 28.0384 178.7327 93 K 3.4574 6.8253 119.5388 59.1673 31.2180 179.5316 94 R 4.0050 8.2162 118.5419 58.8970 29.7319 178.7339 95 L 4.0701 8.0627 119.6462 58.3096 42.2062 177.9292 96 Y 4.2523 8.0917 118.2580 61.3138 39.0164 177.9235 97 T 3.8236 7.8610 116.2162 66.5860 68.6102 176.3253 98 K 3.9229 7.5288 117.0110 57.1981 31.5504 178.2188 *100 N 4.3726 8.0156 119.6057 53.6672 40.2687 175.4550 101 D 4.4297 7.6768 116.2590 56.5527 41.2710 178.0517 102 K 3.9123 7.7724 118.0915 58.7691 32.6061 177.4027 *108 E 4.0789 7.8633 118.4934 55.8279 30.7932 175.7877 109 S 4.2527 8.7875 122.8285 62.3736 63.0114 176.8557 110 T 3.6669 8.2406 118.0015 66.5684 68.1541 176.0811 111 E 4.1036 8.2828 120.6339 59.2963 29.5668 178.3984 112 L 4.2828 7.8426 121.4742 57.7195 42.1083 178.7155 113 I 3.5301 7.8142 119.7912 64.5201 36.9306 178.5013 114 W 4.5012 7.7588 119.2451 59.4722 28.6037 178.5735 115 Q 4.1232 8.6144 118.7838 59.2613 28.2088 179.1466 116 I 4.0151 8.1541 120.8222 64.4863 37.1748 178.0220 117 D 3.9860 8.2502 118.9171 57.3700 40.8949 178.0307 118 R 3.9259 8.1336 118.0699 59.5227 30.0183 177.9683 119 F 4.2322 7.9495 119.2507 61.3680 39.7244 177.0538 120 F 4.1036 8.5420 117.4337 60.0245 38.7366 177.9029 121 S 4.0538 8.2278 113.1835 60.9306 62.1319 174.5958 122 P 4.3519 0.0000 0.0000 65.0879 30.9467 178.4096 123 I 3.5536 7.4504 119.1908 64.4237 37.0565 177.9685 124 N 4.0707 8.3382 117.7854 56.3444 38.1801 177.7377 125 T 3.7584 8.0791 111.5019 64.4579 68.6719 176.2708 126 E 4.0233 7.8496 122.5789 58.9729 29.6001 178.5797 127 I 3.7259 7.7441 119.9490 64.5297 37.3405 178.1477 128 F 4.5181 7.8595 118.5292 60.8645 38.8179 177.1389 129 N 4.4077 8.5726 116.6354 57.1650 38.7491 176.9149 130 Q 4.2111 8.4686 119.3267 58.8196 27.3857 178.0941 131 Y 4.0273 8.4112 120.8958 60.9434 38.8302 178.2482 132 S 4.6987 8.3539 113.5854 61.5815 62.3449 176.0881 133 I 3.7656 8.2868 122.0317 64.3243 36.8337 177.9031 134 S 4.1166 7.9101 115.5010 61.4430 62.6520 176.5913 135 W 4.5392 7.2271 117.6189 59.3941 29.2622 176.6254 136 E 4.3596 8.5364 122.5250 56.5148 29.2917 175.8745 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 3 S 8.33 4.40 0.00 3.85 3.86 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 4 N 8.59 4.73 0.00 3.22 2.99 0.00 0.00 7.12 6.85 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 5 Q 8.82 4.00 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 6 T 7.89 3.89 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 7 V 7.68 3.61 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 0.91 0.00 0.00 1.01 0.00 0.00 8 Y 8.07 3.55 0.00 2.94 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 Q 8.68 4.06 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 10 F 8.01 3.84 0.00 3.05 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 11 I 7.85 3.84 1.77 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 1.73 0.96 0.89 0.00 0.00 12 A 7.56 3.82 1.22 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 13 E 8.05 4.09 0.00 1.75 1.79 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 0.00 2.25 2.30 0.00 14 N 7.48 5.11 0.00 2.32 2.41 0.00 0.00 7.26 7.90 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 15 Q 8.30 3.84 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 16 N 7.94 4.26 0.00 2.65 2.80 0.00 0.00 7.09 7.66 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 17 E 7.89 3.86 0.00 1.90 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 2.31 2.37 0.00 18 L 7.69 3.28 0.00 1.16 0.13 0.79 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.78 3.88 0.00 1.78 1.85 1.02 0.67 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 20 Q 7.81 3.93 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 21 L 7.80 3.89 0.00 1.80 1.42 0.89 0.93 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 22 W 8.08 4.13 0.00 3.07 1.75 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 23 T 8.13 4.04 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 1.37 0.00 0.00 24 D 8.49 4.42 0.00 2.89 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 25 T 8.07 3.87 4.71 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 1.28 0.00 0.00 26 L 8.27 3.89 0.00 1.86 1.49 1.31 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.98 3.70 0.00 1.92 1.83 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.45 7.81 28 E 8.11 3.90 0.00 1.99 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 2.27 2.32 0.00 29 L 8.03 4.05 0.00 1.63 1.21 0.42 0.58 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 30 S 8.22 4.35 0.00 4.10 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 31 E 7.89 4.14 0.00 2.15 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 2.57 2.50 0.00 32 Q 7.83 4.22 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 33 E 7.71 4.46 0.00 1.83 1.64 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 2.39 2.22 0.00 34 S 8.35 4.29 0.00 4.16 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 35 Y 6.84 4.95 0.00 3.13 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 36 Q 8.53 4.78 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 37 L 8.78 4.38 0.00 0.93 1.36 0.85 1.26 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 38 T 7.88 4.42 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 1.21 0.00 0.00 39 D 8.80 4.58 0.00 2.78 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 40 Q 8.08 4.00 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 41 V 7.53 3.52 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.83 0.00 0.00 42 Y 7.48 4.38 0.00 3.24 3.09 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 0.00 0.00 0.00 0.00 43 E 8.66 4.36 0.00 2.10 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 0.00 2.38 2.28 0.00 44 N 8.54 4.43 0.00 3.13 2.91 0.00 0.00 7.03 6.75 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 45 I 7.99 3.86 2.29 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.18 1.16 0.00 0.00 46 S 8.42 4.42 0.00 4.21 4.14 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 0.00 0.00 0.00 47 K 8.49 4.08 0.00 2.00 2.05 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.56 7.81 48 E 8.73 4.05 0.00 2.35 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 2.42 2.40 0.00 49 Y 8.65 4.20 0.00 3.39 3.41 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 50 I 8.34 3.90 2.02 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 2.12 1.25 0.99 0.00 0.00 51 D 8.16 4.39 0.00 2.93 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 52 I 7.73 3.83 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.04 0.82 0.00 0.00 53 L 7.67 3.90 0.00 1.90 1.91 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.06 4.12 0.00 1.63 1.79 0.91 0.71 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 55 L 7.67 4.46 0.00 1.83 1.74 0.97 0.90 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 56 S 8.32 5.32 0.00 3.77 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 57 V 8.01 3.95 1.74 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 0.51 0.00 0.00 0.53 0.00 0.00 58 K 8.02 4.09 0.00 1.72 1.84 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.40 7.81 59 D 7.05 4.45 0.00 2.89 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 60 E 8.45 4.26 0.00 2.06 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 2.32 2.36 0.00 61 N 8.92 4.49 0.00 2.89 2.89 0.00 0.00 6.82 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.03 3.94 1.34 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 0.00 0.00 63 A 7.44 5.07 1.28 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 0.00 0.00 64 E 7.84 3.85 0.00 2.16 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 2.32 2.36 0.00 65 S 7.97 4.16 0.00 4.09 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 66 Q 8.09 4.01 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 67 I 8.37 3.73 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.94 0.00 0.00 68 S 8.02 4.13 0.00 4.05 3.98 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 69 E 8.45 3.99 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 2.52 2.47 0.00 70 L 8.21 4.09 0.00 1.97 1.77 1.07 1.35 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 71 A 8.21 4.15 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.71 0.00 1.85 1.79 0.72 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.19 3.82 0.00 2.02 2.09 0.00 3.30 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 74 A 8.43 4.10 1.64 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 75 V 7.62 3.38 1.79 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 0.40 0.00 0.00 -0.17 0.00 0.00 76 Q 7.95 4.01 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 77 I 7.81 4.17 1.88 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 1.82 0.58 0.96 0.00 0.00 78 G 7.83 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 79 L 8.00 4.11 0.00 1.90 1.70 1.13 0.60 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 80 S 8.15 5.01 0.00 4.04 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.81 3.98 0.00 1.82 1.86 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.44 7.81 83 F 8.48 3.89 0.00 3.12 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 84 L 8.25 3.93 0.00 1.95 1.52 0.97 1.00 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 85 A 7.65 4.05 0.79 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 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.86 3.61 4.08 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 0.99 0.00 0.00 87 A 7.78 3.46 0.70 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 88 L 7.56 2.94 0.00 1.65 1.55 0.89 -0.39 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 89 A 7.85 4.08 1.34 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 0.00 0.00 90 E 7.96 3.67 0.00 1.99 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 2.27 2.33 0.00 91 F 8.04 4.19 0.00 2.65 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 7.55 4.12 0.00 3.01 2.43 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 93 K 6.83 3.46 0.00 1.38 1.49 0.00 1.17 0.00 0.00 1.22 0.00 0.00 2.15 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.35 0.21 7.81 94 R 8.22 4.01 0.00 2.08 2.07 0.00 3.22 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 95 L 8.06 4.07 0.00 2.13 2.22 1.12 1.49 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 96 Y 8.09 4.25 0.00 3.17 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 97 T 7.86 3.82 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 1.22 0.00 0.00 98 K 7.53 3.92 0.00 1.87 1.97 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.62 7.81 *100 N 8.02 4.37 0.00 1.55 2.30 0.00 0.00 7.19 8.47 0.00 0.00 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 D 7.68 4.43 0.00 2.70 2.66 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 0.00 102 K 7.77 3.91 0.00 1.81 1.90 0.00 1.93 0.00 0.00 2.01 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.41 7.81 *108 E 7.86 4.08 0.00 2.14 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 2.34 2.68 0.00 109 S 8.79 4.25 0.00 3.98 4.14 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 0.00 0.00 0.00 110 T 8.24 3.67 4.32 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 1.42 0.00 0.00 111 E 8.28 4.10 0.00 2.14 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 2.44 2.46 0.00 112 L 7.84 4.28 0.00 1.87 1.98 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.81 3.53 1.35 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.29 0.14 0.00 0.00 114 W 7.76 4.50 0.00 3.40 3.16 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 0.00 0.00 0.00 0.00 115 Q 8.61 4.12 0.00 2.37 2.26 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 2.47 2.70 0.00 116 I 8.15 4.02 2.08 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.84 1.16 0.00 0.00 117 D 8.25 3.99 0.00 2.59 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 0.00 118 R 8.13 3.93 0.00 1.96 2.22 0.00 3.35 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 119 F 7.95 4.23 0.00 3.00 3.23 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 0.00 120 F 8.54 4.10 0.00 3.15 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 0.00 121 S 8.23 4.05 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.35 0.00 2.36 2.24 0.00 3.89 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 1.94 1.86 0.00 123 I 7.45 3.55 1.84 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.24 0.78 0.00 0.00 124 N 8.34 4.07 0.00 2.53 2.29 0.00 0.00 6.87 7.34 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 0.00 125 T 8.08 3.76 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 1.29 0.00 0.00 126 E 7.85 4.02 0.00 2.15 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 2.29 2.39 0.00 127 I 7.74 3.73 1.84 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.57 1.04 0.00 0.00 128 F 7.86 4.52 0.00 3.21 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 0.00 129 N 8.57 4.41 0.00 3.02 3.02 0.00 0.00 7.29 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 0.00 130 Q 8.47 4.21 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 131 Y 8.41 4.03 0.00 3.31 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 0.00 132 S 8.35 4.70 0.00 4.18 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 0.00 133 I 8.29 3.77 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 0.93 0.00 0.00 134 S 7.91 4.12 0.00 3.63 3.49 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 0.00 135 W 7.23 4.54 0.00 3.48 3.16 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 0.00 0.00 0.00 0.00 136 E 8.54 4.36 0.00 2.05 1.91 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 2.37 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.