NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3034 8.2644 123.5861 51.4974 20.3323 176.4597 3 R 4.1163 8.0746 118.0616 57.8111 31.9658 172.0856 4 I 4.5405 9.3474 124.1231 61.7121 38.9333 177.0782 5 A 4.0771 9.4986 135.0000 53.4597 19.0649 179.3631 6 G 3.7463 8.4021 115.1875 47.8144 0.0000 173.7857 7 V 3.7961 8.5399 115.5563 61.7832 30.6041 175.2437 8 E 4.4136 8.4057 121.7267 55.0802 29.6566 175.5158 9 I 4.3752 8.0295 126.5524 58.3730 36.7823 173.0195 10 P 4.3784 0.0000 0.0000 62.7632 31.0594 177.1975 11 R 4.4077 8.9383 122.4214 55.7888 31.1401 176.7122 12 N 4.0793 7.5919 116.6633 55.2173 37.7858 176.0551 13 K 4.1683 9.0621 120.1319 55.2655 32.5166 175.8451 14 R 3.9842 8.9548 111.0123 57.7588 29.9753 179.1646 15 V 2.6580 8.6194 113.6478 60.5182 33.2608 178.6120 16 D 4.2145 8.4312 122.6128 56.3473 41.7020 178.3549 17 V 3.5128 7.7103 119.9652 65.1465 31.7097 177.5621 18 A 3.5760 7.5300 120.1251 55.4796 17.8197 179.6398 19 L 4.0261 7.6595 116.5265 58.1439 41.9539 179.4835 20 T 4.7167 8.3611 117.3272 65.7467 67.9659 175.1607 21 Y 4.9788 7.3668 117.0704 58.3129 37.8258 175.0247 22 I 4.8641 7.7897 120.8892 58.3068 39.7063 174.2090 23 Y 4.4584 9.4477 127.2460 61.2420 37.3855 174.8212 24 G 3.0546 7.6927 118.0051 44.5579 0.0000 171.6069 25 I 4.0465 8.2244 123.8842 59.3995 38.7967 174.7454 26 G 4.3209 7.9117 117.2085 44.6850 0.0000 173.1535 27 K 4.1051 8.4644 118.6793 57.8731 32.3405 179.2610 28 A 4.1682 7.6976 120.9371 55.2701 18.6607 179.4376 29 R 4.0472 7.7460 115.3822 58.5209 30.0022 178.5195 30 A 4.1465 7.4825 119.2861 53.8769 18.4903 178.2485 31 K 4.4025 7.6303 114.7523 58.1384 33.9412 178.1571 32 E 4.0823 8.2952 118.6489 59.3007 29.3897 178.4805 33 A 4.7083 8.1664 119.4559 54.6893 18.7422 179.4268 34 L 4.2981 8.0819 119.0912 57.0463 42.0302 178.9525 35 E 3.9427 8.7354 117.8011 59.4606 29.3979 178.8997 36 K 3.9888 8.0439 117.2732 57.2987 32.1138 177.4139 37 T 4.2632 7.1959 108.3137 60.2502 69.7982 173.8426 38 G 4.0308 8.5365 107.7053 46.9337 0.0000 172.9492 39 I 4.2609 8.1068 119.7582 59.5319 39.6774 174.2620 40 N 4.0568 8.7303 123.9081 53.0899 38.6201 173.5726 41 P 4.2384 0.0000 0.0000 65.3907 31.6252 177.6553 42 A 4.0987 8.0232 120.3767 54.6527 18.7094 178.0713 43 T 3.9804 7.5552 106.1595 62.0892 69.3551 173.8979 44 R 4.6344 8.0846 121.3636 54.7991 31.8376 177.9091 45 V 3.7829 8.1708 118.5301 65.5704 31.6071 177.0570 46 K 4.1136 8.0140 117.1307 57.9018 33.0607 176.0577 47 D 4.8232 8.0450 118.9507 52.7590 41.6937 175.5308 48 L 5.7344 8.1287 133.0136 54.4788 41.7082 174.5301 49 T 4.0327 8.0393 119.9388 63.5170 70.4152 174.8226 50 E 3.7849 8.8597 122.4245 59.6797 29.4876 179.5727 51 A 3.9721 7.9890 120.0080 55.4644 18.5380 179.3043 52 E 3.9478 8.0978 116.3495 60.2399 29.4762 178.8961 53 V 3.6939 8.8133 119.8702 65.3689 31.5228 177.6978 54 V 3.6286 8.7012 119.4838 65.3724 31.7354 178.5977 55 R 3.8708 7.9495 118.5907 60.0694 29.7097 177.9549 56 L 4.2020 8.5468 119.2011 57.6241 41.6741 180.2350 57 R 4.0701 7.3770 117.7963 59.0970 31.0472 178.1314 58 E 3.9555 8.2436 118.6574 59.7728 29.4638 178.8295 59 Y 4.1585 7.6913 118.3448 61.1949 38.3177 176.8581 60 V 3.7884 9.2864 120.2576 65.4579 31.1210 176.9554 61 E 4.0812 8.2695 123.3239 60.3009 29.9818 177.9837 62 N 4.4588 8.5833 116.0943 54.1592 38.5558 178.8539 63 T 2.4800 7.0130 115.1308 62.5189 69.7750 175.4485 64 W 4.7332 5.7137 119.8016 54.8010 31.3728 175.3979 65 K 4.5344 8.3793 119.2330 55.1385 32.8081 174.9168 66 L 4.0731 8.4649 123.6808 55.3530 42.8657 174.6787 67 E 3.6055 10.5184 113.5633 58.4706 27.7212 173.7390 68 G 3.6232 8.3134 120.8183 46.2733 0.0000 171.7060 69 E 4.2813 8.2787 126.9568 57.8541 30.0678 174.7765 70 L 4.8268 8.8270 134.6386 55.6069 39.6477 175.4800 71 R 4.3927 8.4802 120.3409 58.8797 29.9128 178.2846 72 A 3.9926 8.7122 120.9992 55.1082 18.4005 179.2959 73 E 3.8005 8.0483 117.4337 59.4018 29.7219 178.8688 74 V 3.6480 8.9926 119.0971 65.9873 31.4092 177.9242 75 A 3.9889 8.3420 120.7433 54.9971 18.1192 179.5017 76 A 3.9307 8.4814 118.9822 55.0397 18.7510 179.0876 77 N 4.3729 8.6139 116.5156 56.7613 39.0778 176.9103 78 I 3.6910 7.6160 120.8198 64.5518 37.1937 178.3580 79 K 3.9171 8.0583 118.9640 59.5874 32.1450 178.2363 80 R 4.1347 7.8482 118.4462 58.6830 29.8949 177.4153 81 L 4.4004 8.4620 118.6268 55.3679 41.1811 177.5820 82 M 4.6813 7.8614 114.0019 54.8479 32.6197 176.8344 83 D 4.8319 7.5969 118.1707 53.7541 38.5903 178.3892 84 I 3.7983 8.5544 118.5818 61.8163 36.7930 173.7819 85 G 3.6294 8.8441 112.1613 45.1530 0.0000 173.3136 86 C 4.3520 8.0862 120.1480 58.0787 30.6384 175.0128 87 Y 4.1778 8.6687 121.1447 61.1641 38.3427 178.3939 88 R 3.9084 8.0971 117.4050 59.4262 30.3477 177.7582 89 G 4.3699 8.6413 108.5812 45.1959 0.0000 173.1271 90 L 4.2716 7.6996 127.6842 53.2736 40.3723 176.3661 91 R 4.5657 7.5417 130.5551 57.5318 32.4763 176.8291 92 H 4.2910 8.4156 113.9121 58.3269 28.7409 176.8596 93 R 4.3242 7.9131 116.2381 57.1687 30.3815 176.4440 94 R 4.6130 7.9785 118.5371 56.9461 31.2646 175.5984 95 G 4.0649 8.3116 101.9745 46.1070 0.0000 173.1754 96 L 4.5483 7.2237 118.5551 51.5868 43.2487 173.4955 97 P 4.1297 0.0000 0.0000 62.6601 30.6350 176.7435 98 V 3.8057 7.8792 130.2579 61.9847 31.2830 177.4723 99 R 4.4895 7.9017 114.6312 58.6719 32.0240 178.6037 100 G 3.9315 7.8424 99.1116 47.0774 0.0000 172.1531 101 Q 4.4063 7.6594 124.5035 54.9851 32.5467 174.4051 102 R 4.3726 8.5972 119.7214 56.2538 29.9597 176.2759 103 T 4.4075 8.3113 112.7235 61.4940 69.7894 175.6958 104 R 4.1163 7.8786 122.4635 58.7010 30.5088 175.8117 105 T 4.7703 7.1640 111.4283 61.9417 73.6284 175.5840 106 N 3.6392 9.1433 119.6903 52.5034 37.6195 176.3482 107 A 3.8125 8.7555 125.5497 53.6414 17.0811 178.7749 108 R 3.9645 7.9790 115.6114 59.7289 30.3689 179.1713 109 T 3.9000 7.9588 112.9601 66.1290 68.5088 175.0944 110 R 4.4600 7.6647 117.9139 56.5869 31.7716 177.9102 111 K 4.6782 7.4279 125.8791 56.1138 30.7907 180.7029 112 G 3.8731 8.6031 108.0110 46.3299 0.0000 169.2685 113 P 3.5762 0.0000 0.0000 64.2909 28.9824 175.9905 114 R 3.5534 7.5528 124.1085 55.0817 27.9825 176.2476 115 K 3.9477 8.7172 122.6022 58.8240 32.4601 174.0114 116 T 3.4470 8.3456 123.0075 62.9539 67.8908 171.3228 117 V 4.4338 8.0054 123.8684 60.5204 34.9192 174.0454 118 A 4.0929 8.5659 126.3862 52.8319 18.9690 178.2646 119 G 4.3011 8.2203 109.2744 44.2016 0.0000 173.0081 120 K 4.4891 8.3876 120.9803 55.0313 35.3457 176.9030 *121 K 4.1215 8.4805 121.2779 54.9817 32.3269 176.6220 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 A 8.26 4.30 1.35 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 3 R 8.07 4.12 0.00 1.88 1.89 0.00 3.20 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 4 I 9.35 4.54 1.92 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 1.27 1.07 0.97 0.00 0.00 5 A 9.50 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 6 G 8.40 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 7 V 8.54 3.80 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 0.92 0.00 0.00 8 E 8.41 4.41 0.00 2.25 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 2.28 2.37 0.00 9 I 8.03 4.38 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 1.49 0.55 0.94 0.00 0.00 10 P 0.00 4.38 0.00 2.21 2.24 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 11 R 8.94 4.41 0.00 1.98 1.93 0.00 3.18 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.72 0.00 12 N 7.59 4.08 0.00 2.75 2.82 0.00 0.00 6.72 7.61 0.00 0.00 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 K 9.06 4.17 0.00 1.64 1.66 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.37 7.81 14 R 8.95 3.98 0.00 2.10 2.35 0.00 3.12 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 15 V 8.62 2.66 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 0.93 0.00 0.00 1.02 0.00 0.00 16 D 8.43 4.21 0.00 2.84 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 17 V 7.71 3.51 1.95 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 0.71 0.00 0.00 0.84 0.00 0.00 18 A 7.53 3.58 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 19 L 7.66 4.03 0.00 1.93 1.74 0.97 0.73 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 T 8.36 4.72 4.20 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 0.00 0.00 1.24 0.00 0.00 21 Y 7.37 4.98 0.00 3.17 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 22 I 7.79 4.86 2.01 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 1.23 1.56 1.05 0.00 0.00 23 Y 9.45 4.46 0.00 2.88 2.93 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 0.00 0.00 0.00 24 G 7.69 3.05 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 0.00 0.00 0.00 25 I 8.22 4.05 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.38 0.84 0.00 0.00 26 G 7.91 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 0.00 0.00 0.00 0.00 27 K 8.46 4.11 0.00 1.70 1.80 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.53 7.81 28 A 7.70 4.17 1.29 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 0.00 0.00 0.00 29 R 7.75 4.05 0.00 1.41 1.19 0.00 2.33 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.17 0.00 30 A 7.48 4.15 1.33 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 0.00 0.00 0.00 31 K 7.63 4.40 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.41 7.81 32 E 8.30 4.08 0.00 2.18 2.24 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 2.50 2.47 0.00 33 A 8.17 4.71 1.82 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.08 4.30 0.00 1.95 1.75 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.74 3.94 0.00 2.13 2.22 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 2.49 2.48 0.00 36 K 8.04 3.99 0.00 0.96 1.13 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.60 7.81 37 T 7.20 4.26 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 1.31 0.00 0.00 38 G 8.54 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 39 I 8.11 4.26 1.88 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 1.29 0.87 0.92 0.00 0.00 40 N 8.73 4.06 0.00 2.79 2.76 0.00 0.00 7.08 7.71 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 41 P 0.00 4.24 0.00 2.07 2.13 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 42 A 8.02 4.10 1.33 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 0.00 0.00 0.00 43 T 7.56 3.98 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 1.28 0.00 0.00 44 R 8.08 4.63 0.00 2.21 1.86 0.00 3.29 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 45 V 8.17 3.78 2.30 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 0.90 0.00 0.00 0.96 0.00 0.00 46 K 8.01 4.11 0.00 1.91 1.93 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.46 7.81 47 D 8.05 4.82 0.00 2.70 2.64 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 48 L 8.13 5.73 0.00 1.85 1.73 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.04 4.03 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 1.24 0.00 0.00 50 E 8.86 3.78 0.00 2.01 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 2.41 2.40 0.00 51 A 7.99 3.97 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 52 E 8.10 3.95 0.00 2.19 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 2.40 2.38 0.00 53 V 8.81 3.69 2.26 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 1.09 0.00 0.00 1.04 0.00 0.00 54 V 8.70 3.63 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 0.96 0.00 0.00 0.98 0.00 0.00 55 R 7.95 3.87 0.00 2.21 2.06 0.00 3.14 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 1.67 0.00 56 L 8.55 4.20 0.00 1.91 1.74 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.38 4.07 0.00 1.93 2.00 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 58 E 8.24 3.96 0.00 2.10 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 2.63 2.48 0.00 59 Y 7.69 4.16 0.00 3.05 3.07 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 60 V 9.29 3.79 2.35 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 1.06 0.00 0.00 1.09 0.00 0.00 61 E 8.27 4.08 0.00 2.06 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 0.00 2.35 2.41 0.00 62 N 8.58 4.46 0.00 2.75 2.62 0.00 0.00 7.08 8.67 0.00 0.00 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 T 7.01 2.48 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 -0.76 0.00 0.00 64 W 5.71 4.73 0.00 3.31 3.24 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 0.00 65 K 8.38 4.53 0.00 1.78 1.76 0.00 2.04 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.45 7.81 66 L 8.46 4.07 0.00 1.82 1.69 1.12 0.72 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 67 E 10.52 3.61 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 2.31 2.33 0.00 68 G 8.31 3.62 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 0.00 0.00 0.00 69 E 8.28 4.28 0.00 1.98 1.96 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 2.32 2.27 0.00 70 L 8.83 4.83 0.00 1.88 2.06 0.29 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.48 4.39 0.00 1.93 2.02 0.00 2.98 0.00 0.00 2.64 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 72 A 8.71 3.99 1.44 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 0.00 0.00 73 E 8.05 3.80 0.00 2.07 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 2.39 2.38 0.00 74 V 8.99 3.65 2.29 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 0.99 0.00 0.00 1.03 0.00 0.00 75 A 8.34 3.99 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 76 A 8.48 3.93 1.38 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 0.00 0.00 77 N 8.61 4.37 0.00 3.00 2.88 0.00 0.00 7.05 7.63 0.00 0.00 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 I 7.62 3.69 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.79 0.00 0.00 79 K 8.06 3.92 0.00 1.89 1.86 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 80 R 7.85 4.13 0.00 2.23 2.03 0.00 3.15 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 81 L 8.46 4.40 0.00 1.85 1.66 0.99 0.85 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 M 7.86 4.68 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 83 D 7.60 4.83 0.00 2.81 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 0.00 0.00 0.00 84 I 8.55 3.80 1.88 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 1.35 0.81 0.92 0.00 0.00 85 G 8.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 4.35 0.00 3.14 3.11 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 0.00 0.00 0.00 87 Y 8.67 4.18 0.00 2.94 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 88 R 8.10 3.91 0.00 1.79 1.90 0.00 3.28 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 89 G 8.64 4.37 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 0.00 90 L 7.70 4.27 0.00 1.62 1.66 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.54 4.57 0.00 1.59 1.78 0.00 3.32 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.55 0.00 92 H 8.42 4.29 0.00 3.34 3.30 0.00 5.66 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 93 R 7.91 4.32 0.00 1.75 1.96 0.00 3.44 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 94 R 7.98 4.61 0.00 1.82 1.83 0.00 3.30 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 95 G 8.31 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 0.00 0.00 0.00 96 L 7.22 4.55 0.00 1.57 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.13 0.00 2.18 2.15 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 98 V 7.88 3.81 1.82 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 0.63 0.00 0.00 0.86 0.00 0.00 99 R 7.90 4.49 0.00 1.80 1.83 0.00 3.34 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 100 G 7.84 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.66 4.41 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 102 R 8.60 4.37 0.00 1.80 2.06 0.00 3.36 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 103 T 8.31 4.41 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 1.24 0.00 0.00 104 R 7.88 4.12 0.00 1.80 1.99 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 105 T 7.16 4.77 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 0.00 106 N 9.14 3.64 0.00 2.95 2.41 0.00 0.00 6.74 7.18 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 0.00 107 A 8.76 3.81 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.98 3.96 0.00 1.92 2.03 0.00 3.29 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 109 T 7.96 3.90 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 0.00 110 R 7.66 4.46 0.00 1.83 2.15 0.00 3.17 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 111 K 7.43 4.68 0.00 1.86 1.44 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.38 7.81 112 G 8.60 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 0.00 0.00 0.00 113 P 0.00 3.58 0.00 2.12 2.35 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 114 R 7.55 3.55 0.00 1.84 1.95 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 115 K 8.72 3.95 0.00 1.72 1.86 0.00 2.01 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.52 7.81 116 T 8.35 3.45 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 0.00 117 V 8.01 4.43 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 0.79 0.00 0.00 0.93 0.00 0.00 118 A 8.57 4.09 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 0.00 119 G 8.22 4.30 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 0.00 0.00 0.00 120 K 8.39 4.49 0.00 1.71 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.33 7.81 *121 K 8.48 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.