NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3487 8.1127 121.1238 56.3546 31.9721 173.4684 4 R 4.9842 8.7992 127.6739 54.4404 32.2143 173.1138 5 I 4.9789 9.0473 127.8176 59.3259 40.9815 173.9496 6 L 4.5021 8.8365 130.5163 54.5828 43.4129 175.5848 7 V 4.5514 9.7467 128.0220 61.5149 33.1008 174.6794 8 V 4.5900 8.4731 130.4077 61.8416 32.8310 174.3624 9 E 4.9085 8.6095 125.6280 55.8702 32.5428 175.3192 10 D 4.8741 8.9538 126.1495 54.1090 40.5567 176.7278 11 E 4.2380 8.4950 120.5970 55.0908 29.9434 176.6127 12 A 3.9919 8.6339 127.6404 54.7917 18.3733 177.2817 13 P 4.2744 0.0000 0.0000 65.8855 31.4198 178.7681 14 I 3.6601 7.6665 119.1036 64.1676 37.1324 178.0044 15 R 3.9304 8.1859 119.6519 59.7757 29.9135 178.4311 16 E 4.0416 8.7469 118.5653 59.2296 29.5027 179.1030 17 M 4.0313 8.2641 118.8246 58.7168 32.5238 178.4307 18 V 3.7849 8.2703 118.8331 66.3517 31.6153 177.7981 19 C 4.2374 8.4264 116.5996 62.6330 27.8455 175.8628 20 F 4.1388 8.3640 122.3787 61.1600 38.4958 177.3037 21 V 3.5251 7.8792 117.5168 66.0165 31.3529 178.0660 22 L 4.0368 7.8021 118.1519 57.7961 41.4389 179.0665 23 E 4.1589 8.3203 118.6907 59.8803 29.3263 179.5697 24 Q 4.0513 7.9410 115.4673 57.5301 28.7609 177.2146 25 N 4.9188 7.5336 114.9598 52.6187 39.2899 175.2572 26 G 3.8742 8.0097 108.6127 44.9495 0.0000 173.6593 27 F 4.7316 8.0997 117.9624 56.2542 41.3204 175.6802 28 Q 4.6009 9.5245 123.2751 54.0671 29.6262 172.5577 29 P 5.1453 0.0000 0.0000 62.1015 32.6758 175.5570 30 V 4.4561 9.0333 121.9195 61.2600 34.3045 173.9482 31 E 4.8118 8.8213 126.4048 54.9084 31.6199 175.2750 32 A 4.7217 8.9904 125.0419 50.3836 22.2435 176.8241 33 E 4.2513 9.0125 120.1468 57.6646 30.9647 175.3935 34 D 4.8791 7.7194 118.0508 51.5005 42.6519 175.2235 35 Y 3.7176 8.5627 118.7987 61.0599 38.6173 177.5761 36 D 4.5314 8.3857 119.4995 57.7298 40.8042 179.0719 37 S 4.0994 8.3600 112.8048 61.2594 62.9940 176.2197 38 A 3.9445 7.5945 123.8645 54.9410 18.0422 179.5237 39 V 3.6930 7.7509 116.8614 66.4563 31.3946 177.5316 40 N 4.5933 8.1453 113.0002 54.6915 38.4839 176.1245 41 Q 4.3677 7.9805 119.1609 55.2956 30.5588 176.5458 42 L 4.3294 7.5996 122.8907 52.4990 40.1014 174.7675 43 N 3.3826 6.5082 117.2756 50.2946 40.4623 174.7510 44 E 3.5057 7.7907 119.0839 56.0568 29.8409 174.6432 45 P 4.5154 0.0000 0.0000 61.6805 32.4416 175.7054 46 W 4.5570 8.5282 121.5547 55.0264 30.0453 174.8048 47 P 4.3509 0.0000 0.0000 63.8074 31.1558 175.9990 48 D 4.7700 9.0856 122.3369 55.6549 41.8342 176.3914 49 L 4.6622 7.6219 118.5184 54.0123 45.8628 173.3132 50 I 4.9384 8.7632 126.1443 59.5752 40.1191 174.3781 51 L 4.9390 9.0295 127.9373 53.2103 43.5659 175.2925 52 L 4.9204 8.9458 126.8500 52.9116 44.4655 175.2168 53 D 4.9444 8.9904 127.3397 54.0286 41.5348 176.1881 54 W 4.5486 9.0039 134.9622 60.0885 31.9673 175.7414 55 M 4.7168 7.3193 117.4191 53.3830 34.7854 173.7583 56 L 4.7069 8.2333 123.8915 51.8901 46.3784 174.1115 57 P 4.2845 0.0000 0.0000 64.7006 31.4688 177.6776 58 G 3.9712 8.8259 111.7047 44.2888 0.0000 173.2295 59 G 3.9254 7.1245 113.1797 44.4783 0.0000 172.6123 60 S 4.9593 7.7015 116.6200 56.9795 66.0818 175.6024 61 G 3.7663 8.9700 108.8475 47.8342 0.0000 175.9675 62 I 3.8603 8.0219 121.7178 64.6221 37.1810 178.3446 63 Q 4.1610 8.1806 118.2265 58.9740 28.5228 178.6028 64 F 4.3028 8.5218 121.4268 61.3906 39.3265 177.3129 65 I 3.7251 8.2192 119.5987 64.1781 36.7130 178.5846 66 K 3.9936 7.9807 119.1313 59.5080 31.6271 178.9018 67 H 4.1228 7.9451 117.8432 59.0438 30.1016 176.9313 68 L 3.9429 7.6431 120.7537 57.8717 41.3652 179.6020 69 K 4.1638 7.9504 115.6767 58.2836 32.0355 178.9864 70 R 4.0993 7.5360 118.1072 56.8773 30.6551 176.1212 71 E 4.7695 7.3182 117.6589 53.9073 32.8455 177.1830 72 S 4.1042 8.5139 116.0452 61.5552 63.3800 175.7496 73 M 3.8236 7.8302 119.9471 57.1582 31.8637 176.8725 74 T 4.3354 7.3794 106.9072 61.6723 70.6694 176.1518 75 R 3.9615 7.8827 121.8391 58.4820 30.1341 176.5623 76 D 4.6474 7.6945 115.2854 54.7821 42.1275 176.5392 77 I 3.7520 7.2210 120.4393 60.9538 37.5205 174.4423 78 P 4.4912 0.0000 0.0000 63.4186 32.7649 175.4511 79 V 4.6380 9.5753 123.0589 61.2615 34.6544 174.2905 80 V 4.5149 8.8042 129.6852 61.3094 33.1987 174.4232 81 M 4.7514 8.7357 129.8516 55.4370 33.4678 174.7943 82 L 5.1129 9.2499 127.1478 54.2005 43.2784 175.8941 83 T 4.9598 8.8912 120.1715 61.6911 72.5127 173.7538 84 A 4.9887 8.6340 126.2063 50.9511 20.9073 176.5401 85 R 4.2697 8.8971 115.6353 55.2312 30.8389 175.3978 86 G 3.3909 8.8343 110.8671 45.6433 0.0000 174.2589 *96 E 4.2978 7.9743 117.3970 55.6488 31.2040 175.9574 97 T 4.3702 7.9365 111.5668 61.7855 68.6589 174.9323 98 G 4.0143 8.4902 108.3028 45.3217 0.0000 173.8425 99 A 4.0688 7.5121 121.6325 52.1723 18.8863 177.1613 100 D 4.5031 8.2908 120.7082 56.9928 41.7536 175.6543 101 D 4.4569 7.2003 116.1060 53.7730 44.8915 173.3430 102 Y 5.3107 8.2949 116.9956 56.3677 42.2903 174.9632 103 I 4.6801 9.0575 122.3237 59.7278 41.6824 174.3617 104 T 4.9095 8.7607 125.7730 63.4443 69.5209 173.9486 105 K 4.7982 9.2594 125.8432 54.3150 33.4480 174.9540 106 P 4.2713 0.0000 0.0000 62.0039 32.4307 175.3214 107 F 5.1091 6.6868 114.2705 54.3965 40.9998 175.3938 108 S 4.5233 8.9127 117.1006 57.4923 65.3588 173.7238 109 P 4.4311 0.0000 0.0000 65.6546 31.1395 179.2122 110 K 4.0778 8.0949 117.3425 59.8065 32.5466 178.7108 111 E 3.9214 8.0754 120.7652 58.9315 29.5808 178.5903 112 L 3.7613 7.7944 120.1113 58.0460 42.1205 179.0479 113 V 3.4252 7.6474 117.3843 66.0532 31.5874 177.5481 114 A 4.0091 8.1363 120.5592 55.3363 18.2090 179.6719 115 R 3.7948 8.1003 116.8390 59.7406 30.2692 178.7428 116 I 3.6511 8.0991 119.9818 64.4126 36.4865 178.6002 117 K 4.1269 8.5708 119.4663 59.1917 31.7146 179.3029 118 A 4.0596 7.9438 120.4078 54.6838 18.2617 179.6484 119 V 3.7034 7.4331 115.7515 66.4574 31.8882 177.6709 120 M 3.9751 7.6374 116.9623 57.9936 31.8471 176.5532 121 R 4.1478 7.2796 121.7862 55.8426 32.4974 173.8703 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 R 8.11 4.35 0.00 1.84 1.75 0.00 3.33 0.00 0.00 3.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.08 0.00 4 R 8.80 4.98 0.00 2.06 1.84 0.00 3.32 0.00 0.00 3.45 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 5 I 9.05 4.98 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 0.83 0.00 0.00 6 L 8.84 4.50 0.00 1.82 1.59 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.75 4.55 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 0.91 0.00 0.00 0.91 0.00 0.00 8 V 8.47 4.59 1.90 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 0.58 0.00 0.00 0.67 0.00 0.00 9 E 8.61 4.91 0.00 1.95 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 2.24 2.34 0.00 10 D 8.95 4.87 0.00 2.77 2.82 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 11 E 8.49 4.24 0.00 2.19 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 2.29 2.30 0.00 12 A 8.63 3.99 1.31 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 0.00 0.00 13 P 0.00 4.27 0.00 2.25 2.29 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 14 I 7.67 3.66 2.06 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 1.51 0.66 1.00 0.00 0.00 15 R 8.19 3.93 0.00 1.99 2.09 0.00 3.08 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 16 E 8.75 4.04 0.00 2.04 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 2.34 2.59 0.00 17 M 8.26 4.03 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 18 V 8.27 3.78 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 1.00 0.00 0.00 1.27 0.00 0.00 19 C 8.43 4.24 0.00 3.14 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 20 F 8.36 4.14 0.00 3.24 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 21 V 7.88 3.53 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 1.03 0.00 0.00 1.16 0.00 0.00 22 L 7.80 4.04 0.00 1.78 1.70 0.80 0.24 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 23 E 8.32 4.16 0.00 2.26 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 2.37 2.55 0.00 24 Q 7.94 4.05 0.00 1.72 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 25 N 7.53 4.92 0.00 3.14 3.06 0.00 0.00 7.24 7.53 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 26 G 8.01 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 27 F 8.10 4.73 0.00 2.88 3.15 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 28 Q 9.52 4.60 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 29 P 0.00 5.15 0.00 2.13 2.04 0.00 3.79 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 2.00 2.14 0.00 30 V 9.03 4.46 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 0.99 0.00 0.00 0.97 0.00 0.00 31 E 8.82 4.81 0.00 1.87 1.83 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 2.24 2.30 0.00 32 A 8.99 4.72 1.08 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 0.00 0.00 0.00 33 E 9.01 4.25 0.00 2.13 2.18 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 0.00 2.30 2.26 0.00 34 D 7.72 4.88 0.00 3.18 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 35 Y 8.56 3.72 0.00 3.12 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 36 D 8.39 4.53 0.00 2.81 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 37 S 8.36 4.10 0.00 3.98 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 38 A 7.59 3.94 0.75 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 39 V 7.75 3.69 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 1.13 0.00 0.00 0.78 0.00 0.00 40 N 8.15 4.59 0.00 2.72 2.83 0.00 0.00 7.07 7.29 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 41 Q 7.98 4.37 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.38 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 42 L 7.60 4.33 0.00 1.85 1.92 0.93 1.04 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 43 N 6.51 3.38 0.00 2.39 2.46 0.00 0.00 6.28 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 44 E 7.79 3.51 0.00 1.98 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 0.00 2.28 2.35 0.00 45 P 0.00 4.52 0.00 2.07 1.96 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 46 W 8.53 4.56 0.00 3.28 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 47 P 0.00 4.35 0.00 2.17 2.10 0.00 4.03 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 48 D 9.09 4.77 0.00 2.69 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 49 L 7.62 4.66 0.00 1.69 1.42 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.76 4.94 1.95 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 1.36 0.57 1.03 0.00 0.00 51 L 9.03 4.94 0.00 1.49 1.52 0.78 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.95 4.92 0.00 1.74 1.55 0.82 1.25 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 53 D 8.99 4.94 0.00 2.91 2.59 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 54 W 9.00 4.55 0.00 3.46 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.32 4.72 0.00 0.85 0.57 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 56 L 8.23 4.71 0.00 1.84 1.42 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.28 0.00 2.14 1.97 0.00 3.55 0.00 0.00 3.81 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 58 G 8.83 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.12 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 60 S 7.70 4.96 0.00 4.15 4.05 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 61 G 8.97 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 0.00 0.00 0.00 62 I 8.02 3.86 2.00 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 1.75 1.04 1.00 0.00 0.00 63 Q 8.18 4.16 0.00 2.46 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 64 F 8.52 4.30 0.00 2.97 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 I 8.22 3.73 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.78 0.93 0.00 0.00 66 K 7.98 3.99 0.00 2.03 1.90 0.00 1.88 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.48 7.81 67 H 7.95 4.12 0.00 3.19 3.30 0.00 5.96 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 68 L 7.64 3.94 0.00 1.77 1.58 0.88 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.95 4.16 0.00 1.69 1.83 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.61 7.81 70 R 7.54 4.10 0.00 1.84 1.93 0.00 3.09 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 71 E 7.32 4.77 0.00 1.86 1.72 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 2.10 2.29 0.00 72 S 8.51 4.10 0.00 3.88 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 73 M 7.83 3.82 0.00 0.92 1.72 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 74 T 7.38 4.34 4.17 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 1.27 0.00 0.00 75 R 7.88 3.96 0.00 1.86 1.96 0.00 3.20 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 76 D 7.69 4.65 0.00 2.61 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 77 I 7.22 3.75 1.89 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 1.24 0.42 0.99 0.00 0.00 78 P 0.00 4.49 0.00 2.05 1.97 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 79 V 9.58 4.64 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 0.96 0.00 0.00 1.01 0.00 0.00 80 V 8.80 4.51 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 0.73 0.00 0.00 0.83 0.00 0.00 81 M 8.74 4.75 0.00 2.47 1.92 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.88 0.00 82 L 9.25 5.11 0.00 1.71 1.72 0.97 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.89 4.96 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 0.93 0.00 0.00 84 A 8.63 4.99 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 85 R 8.90 4.27 0.00 1.90 1.93 0.00 3.03 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 1.54 1.61 0.00 86 G 8.83 3.39 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 0.00 *96 E 7.97 4.30 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 2.13 2.31 0.00 97 T 7.94 4.37 4.47 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 0.00 0.00 0.00 1.50 0.00 0.00 98 G 8.49 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 0.00 0.00 0.00 99 A 7.51 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.29 4.50 0.00 2.51 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 0.00 101 D 7.20 4.46 0.00 2.63 2.37 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 0.00 102 Y 8.29 5.31 0.00 2.81 2.76 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 0.00 103 I 9.06 4.68 1.78 0.00 0.00 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 1.11 1.46 0.61 0.00 0.00 104 T 8.76 4.91 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 1.29 0.00 0.00 105 K 9.26 4.80 0.00 1.72 1.81 0.00 1.85 0.00 0.00 2.00 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.91 1.78 7.81 106 P 0.00 4.27 0.00 2.02 1.91 0.00 3.70 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 1.94 1.90 0.00 107 F 6.69 5.11 0.00 3.19 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 0.00 108 S 8.91 4.52 0.00 4.15 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 0.00 109 P 0.00 4.43 0.00 2.25 2.24 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 110 K 8.09 4.08 0.00 2.01 2.11 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.53 7.81 111 E 8.08 3.92 0.00 2.07 2.28 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 2.36 2.36 0.00 112 L 7.79 3.76 0.00 1.63 1.81 0.41 1.31 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 0.00 113 V 7.65 3.43 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 1.18 0.00 0.00 1.06 0.00 0.00 114 A 8.14 4.01 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 0.00 115 R 8.10 3.79 0.00 2.02 2.10 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 116 I 8.10 3.65 1.89 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 0.61 0.00 0.00 117 K 8.57 4.13 0.00 1.83 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.61 1.68 7.81 118 A 7.94 4.06 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 0.00 119 V 7.43 3.70 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 0.83 0.00 0.00 0.92 0.00 0.00 120 M 7.64 3.98 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.07 0.00 121 R 7.28 4.15 0.00 1.87 2.04 0.00 3.48 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 * Residues marked with a * may have inaccurate shift predictions.