NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9498 8.1976 109.7367 45.7949 0.0000 174.6610 3 S 4.9529 7.8238 111.6484 56.5361 63.7272 173.5283 4 M 4.3814 8.8661 120.0131 57.2542 32.5383 177.3889 5 E 4.8591 7.8424 117.0914 55.3066 31.8714 177.1921 6 S 4.2508 8.6259 117.7147 62.3742 62.5229 176.8595 7 T 3.8611 8.4201 119.6823 66.0621 68.1889 176.4977 8 Q 3.9546 8.7704 121.8864 59.1486 28.8285 178.1905 9 Q 3.9461 8.0185 118.1326 59.3041 29.0959 178.1178 10 M 4.1313 8.1189 118.7234 58.7368 32.2349 177.9880 11 A 3.9986 8.3248 121.0824 55.3634 18.5604 179.8488 12 V 3.6377 7.9159 116.8114 65.8256 31.5928 177.9893 13 S 4.4028 7.8891 113.0722 60.3880 62.6188 176.4371 14 I 3.8424 7.7860 124.4922 64.3514 36.9983 178.1802 15 I 3.9825 7.6031 120.1040 64.6447 37.0970 178.1630 16 N 4.4761 8.6817 117.7697 56.5310 38.3404 177.8153 17 S 4.1690 8.2731 116.6221 61.4588 62.9849 176.8643 18 S 4.0873 7.8935 118.1314 61.5091 62.5985 176.4824 19 F 3.2910 7.8653 123.1597 61.1480 39.0670 177.0880 20 E 3.5626 8.2953 117.9300 59.0652 29.0877 179.2336 21 A 3.9224 7.9784 120.9078 54.6857 18.3523 179.6131 22 A 3.7242 7.4106 119.2048 55.2430 18.4668 179.9672 23 V 3.1872 6.9782 116.7492 65.8815 31.4064 178.3413 24 V 3.5316 7.5638 117.6397 65.9660 31.3547 177.5314 25 A 3.8919 8.0428 120.2927 55.2566 18.2941 179.0688 26 A 3.8108 7.9621 118.8502 55.6660 18.4725 179.8362 27 T 3.0539 7.7768 107.6353 64.8509 68.6996 176.3874 28 S 4.0820 8.3688 116.1195 60.8632 62.1541 176.0460 29 A 3.9598 8.0889 122.9667 55.2367 18.4353 179.3374 30 L 4.0781 7.7193 117.3858 57.7609 41.5857 179.4037 31 E 4.1159 8.2512 119.4138 59.4848 29.4673 178.5893 32 N 4.4789 8.1183 114.7557 55.6434 38.6987 176.3752 33 M 4.3278 7.6882 118.2219 55.3045 32.5283 177.2434 34 G 4.0119 8.1759 107.7453 45.1950 0.0000 174.1173 35 I 3.8273 7.6162 123.3656 61.6692 37.5685 176.4204 36 E 4.1817 8.6598 121.9607 56.1048 30.2741 172.1812 37 Y 4.8467 7.5135 118.4645 54.7102 41.1758 173.8866 38 D 4.8438 8.6732 119.0054 52.4959 43.0656 175.1469 39 Y 4.4090 9.0689 130.6455 62.1913 38.7014 178.7730 40 Q 4.1442 8.4380 120.5834 60.2973 28.0838 180.4207 41 D 4.5128 8.1984 118.7665 57.6278 41.4007 178.4355 42 I 3.6659 7.8062 120.3414 64.3710 37.0850 177.7240 43 Y 3.7570 8.2400 120.7813 60.8295 38.6111 178.3293 44 S 4.3176 8.4511 114.1049 61.3664 62.5717 176.3577 45 R 3.9775 8.1669 121.0639 59.0495 29.7850 179.1359 46 V 3.6008 7.8012 118.1640 65.7737 31.5067 177.9755 47 K 4.0433 8.0867 119.2612 59.6044 31.8000 178.3840 48 N 4.3477 8.2690 116.7146 56.2576 38.6031 177.3747 49 K 4.0258 7.9993 120.3052 59.4189 32.4189 178.5706 50 F 4.1707 8.7194 121.2921 61.6672 39.3946 176.7103 51 D 4.3036 8.8430 118.7648 57.4171 40.3554 178.7726 52 F 4.0292 7.8157 120.2132 60.9689 39.4537 177.3085 53 V 3.6883 7.7231 119.2761 66.8836 31.6374 178.2423 54 M 4.0600 7.7049 119.8761 58.4385 31.5677 178.1546 55 D 4.8004 7.6329 121.2258 54.0642 41.9383 177.1028 56 D 5.0700 6.9741 117.6200 51.3335 41.7446 178.4783 57 S 5.3165 8.0785 124.4257 58.2411 64.1517 179.2132 58 G 3.7641 7.6513 110.0517 45.9789 0.0000 174.3604 59 V 4.0904 6.8017 120.7540 59.4719 30.2744 174.2621 60 K 4.3222 7.3213 133.6455 56.2840 35.3740 175.8256 61 N 4.2818 7.6716 116.8302 56.5754 38.8058 176.0921 62 N 4.2401 8.0701 118.3303 56.2325 39.1584 174.8906 63 P 4.2452 0.0000 0.0000 65.8699 31.4132 178.7068 64 I 3.8382 8.2408 118.9710 64.1151 36.9691 178.6441 65 G 3.6546 8.2356 106.6918 47.8040 0.0000 175.7813 66 K 3.9360 8.1602 121.0007 59.0871 32.1312 179.2047 67 A 4.0069 7.9912 120.9225 55.4358 18.2947 179.8194 68 I 3.9047 8.1527 118.4642 64.6436 37.0771 178.8724 69 T 3.9216 7.8847 116.9341 66.5310 68.1596 176.9289 70 I 3.7587 7.8515 121.8478 64.4529 37.0991 178.1498 71 D 4.3548 8.6556 120.1127 57.3440 40.3616 178.9605 72 Q 3.9413 7.8605 117.4290 58.8586 28.8556 178.2024 73 A 4.1508 7.4968 119.7439 55.3822 18.5209 179.2907 74 L 4.0507 7.8718 116.0241 57.1531 42.0937 178.2843 75 N 4.3959 7.6651 115.4664 53.0193 39.1673 174.4731 *90 D 4.4958 8.1152 119.4004 53.9710 40.7970 174.5136 91 T 4.4541 7.7488 113.1162 64.1394 69.9433 176.9432 92 S 4.0597 8.2776 116.6083 61.5030 63.3337 176.1780 93 R 3.8032 8.1050 122.1978 58.0746 29.7615 174.9905 94 P 4.3938 0.0000 0.0000 62.6251 30.4975 175.1221 95 A 4.8797 8.0969 135.0000 52.8128 19.9049 178.9525 96 K 4.0374 7.2602 114.5384 59.5980 32.1374 179.7292 97 L 4.1704 7.8665 118.9202 57.6206 41.3467 179.0644 98 D 4.3087 7.9360 117.5826 57.5167 41.2997 178.0229 99 E 4.0044 8.4834 119.4366 59.6055 29.4475 179.1721 100 D 4.4091 8.5322 119.3444 56.9602 40.7794 179.0096 101 V 3.5552 7.7200 118.8307 66.0195 31.5715 177.7205 102 N 4.2988 7.8419 116.2945 56.1850 38.3870 177.1357 103 K 3.8579 8.1100 120.7600 59.7409 32.4660 178.7196 104 L 3.9961 8.3849 119.4601 57.8412 41.4034 179.8731 105 R 3.9405 8.1802 118.0122 59.5518 30.0159 179.0450 106 M 4.0560 8.0643 118.4885 58.4833 31.6973 178.6719 107 M 4.0482 7.9566 117.8797 58.3895 32.4316 178.5229 108 L 4.1102 7.7265 118.4092 57.9680 41.9891 179.2442 109 S 4.3301 8.5653 114.9174 60.9105 62.0040 176.5174 110 S 4.3182 8.2750 117.5972 61.1113 62.8067 176.1186 111 K 4.4433 8.1084 126.0690 56.3670 31.7678 182.2091 112 G 4.0986 8.0527 106.9650 46.4501 0.0000 174.6632 113 I 4.1642 7.2678 121.9991 59.5344 36.3928 175.1656 114 D 4.7045 8.0230 126.7421 52.2655 42.0954 176.6476 115 Q 4.0717 8.6872 119.4727 60.0055 28.4563 179.1482 116 K 3.9428 8.0579 125.0579 59.8704 31.7401 180.8414 117 M 4.2726 7.9830 120.1342 58.2856 32.0493 179.1847 118 R 3.9073 8.0022 118.0003 59.2572 30.3742 179.2606 119 V 3.5931 8.1666 118.3844 66.1037 31.5315 178.1287 120 L 4.2081 7.8722 118.2191 57.8605 41.3448 178.9709 121 N 4.4426 8.3344 115.5578 55.9967 38.9136 176.0962 122 A 4.2959 7.7383 120.8256 54.0254 19.6307 178.4282 123 C 4.0416 7.7388 115.4859 59.4911 28.5333 173.2898 124 F 5.5721 7.6495 117.9780 55.6082 43.0290 174.1833 125 S 4.9111 8.9815 116.4816 56.5744 65.4694 173.0428 126 V 5.0435 8.6196 124.9520 61.6894 34.2154 175.1233 127 K 4.8220 9.0126 129.9867 53.2422 35.8033 175.7641 128 R 3.6554 8.7633 117.8176 59.8585 29.5424 174.9892 129 I 3.1653 7.0564 128.4807 59.7747 34.7849 173.5286 130 P 3.5984 0.0000 0.0000 63.4873 31.9484 178.7380 131 G 3.9796 9.1054 113.9650 45.2592 0.0000 173.3872 132 K 4.5870 7.5567 115.0185 55.2017 37.2730 177.3357 133 S 4.6987 8.2449 115.7519 56.4925 62.1481 172.1797 134 S 4.5707 7.2019 113.4530 58.3538 66.0499 173.5311 135 S 5.1527 8.3835 117.7663 57.5945 66.7196 174.2958 136 I 4.4902 8.6877 121.8203 59.0133 37.6100 175.5711 137 I 4.9958 8.5169 130.1887 59.1498 39.5260 175.9288 138 K 4.8410 8.8824 129.3004 53.4410 36.1122 172.5336 139 C 4.7609 8.9444 122.1072 59.5138 28.7894 173.7839 140 T 4.3692 8.0165 113.4942 60.3129 70.9048 175.7572 141 K 4.0342 8.5772 119.6889 59.4328 31.9118 179.5665 142 L 3.9248 7.7208 119.1018 57.8834 41.5620 178.9496 143 M 3.8683 7.7181 117.6504 58.5457 32.1361 178.1391 144 R 3.8994 7.8461 118.2439 59.5861 30.0378 178.8114 145 D 4.3311 7.8275 117.3533 57.1900 40.9623 178.7187 146 K 4.1283 7.8797 118.9779 59.1988 31.6329 179.3438 147 L 4.0477 8.3133 122.1782 58.5135 41.4545 179.9277 148 E 4.1785 8.2910 116.0571 59.5176 29.6848 178.6280 149 R 4.5031 7.7699 113.3599 56.4863 32.4257 176.7136 150 G 4.0922 7.0552 110.9376 45.5121 0.0000 173.1610 151 E 4.6098 8.6802 122.7749 54.5394 33.4143 172.8675 152 V 3.8394 8.5906 124.4461 60.4087 32.4864 173.3786 153 E 4.3319 8.6962 119.3968 55.2811 29.7274 173.7857 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 G 8.20 3.95 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 0.00 0.00 0.00 3 S 7.82 4.95 0.00 4.06 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 4 M 8.87 4.38 0.00 2.18 2.15 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 2.61 2.55 0.00 5 E 7.84 4.86 0.00 1.97 1.87 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 2.28 2.26 0.00 6 S 8.63 4.25 0.00 4.03 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 7 T 8.42 3.86 4.54 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 0.00 0.00 0.00 1.21 0.00 0.00 8 Q 8.77 3.95 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 9 Q 8.02 3.95 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 10 M 8.12 4.13 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 11 A 8.32 4.00 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 12 V 7.92 3.64 2.25 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 1.07 0.00 0.00 0.99 0.00 0.00 13 S 7.89 4.40 0.00 4.10 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 0.00 14 I 7.79 3.84 2.11 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 1.55 0.66 0.96 0.00 0.00 15 I 7.60 3.98 2.08 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 1.67 0.64 1.11 0.00 0.00 16 N 8.68 4.48 0.00 2.80 2.95 0.00 0.00 7.11 7.35 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 17 S 8.27 4.17 0.00 4.02 3.92 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 0.00 0.00 0.00 18 S 7.89 4.09 0.00 4.20 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 19 F 7.87 3.29 0.00 2.26 2.97 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 20 E 8.30 3.56 0.00 2.11 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 2.64 2.53 0.00 21 A 7.98 3.92 1.30 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 22 A 7.41 3.72 1.09 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 0.00 0.00 23 V 6.98 3.19 1.71 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 0.85 0.00 0.00 -0.05 0.00 0.00 24 V 7.56 3.53 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 1.06 0.00 0.00 0.94 0.00 0.00 25 A 8.04 3.89 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 26 A 7.96 3.81 1.20 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 0.00 0.00 0.00 27 T 7.78 3.05 4.18 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 0.00 0.00 1.10 0.00 0.00 28 S 8.37 4.08 0.00 3.99 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 29 A 8.09 3.96 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 30 L 7.72 4.08 0.00 1.56 1.79 0.67 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.25 4.12 0.00 2.47 2.20 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 2.38 2.48 0.00 32 N 8.12 4.48 0.00 2.88 2.88 0.00 0.00 7.09 7.57 0.00 0.00 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 M 7.69 4.33 0.00 1.99 2.26 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 2.80 2.55 0.00 34 G 8.18 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 0.00 0.00 0.00 35 I 7.62 3.83 1.94 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 1.31 0.48 0.99 0.00 0.00 36 E 8.66 4.18 0.00 1.99 1.73 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 2.23 1.86 0.00 37 Y 7.51 4.85 0.00 3.02 2.97 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 38 D 8.67 4.84 0.00 2.83 2.65 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 39 Y 9.07 4.41 0.00 3.27 3.08 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 40 Q 8.44 4.14 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 41 D 8.20 4.51 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 42 I 7.81 3.67 1.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.37 0.69 0.00 0.00 43 Y 8.24 3.76 0.00 2.57 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 44 S 8.45 4.32 0.00 4.14 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 45 R 8.17 3.98 0.00 2.04 1.95 0.00 3.30 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 46 V 7.80 3.60 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 0.84 0.00 0.00 0.79 0.00 0.00 47 K 8.09 4.04 0.00 2.01 1.97 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.18 7.81 48 N 8.27 4.35 0.00 3.06 2.88 0.00 0.00 6.71 6.61 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 49 K 8.00 4.03 0.00 1.93 1.88 0.00 1.59 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.59 7.81 50 F 8.72 4.17 0.00 3.26 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 51 D 8.84 4.30 0.00 3.00 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 52 F 7.82 4.03 0.00 3.09 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 53 V 7.72 3.69 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 0.79 0.00 0.00 1.11 0.00 0.00 54 M 7.70 4.06 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 55 D 7.63 4.80 0.00 2.51 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.97 5.07 0.00 2.74 2.45 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 57 S 8.08 5.32 0.00 3.89 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 58 G 7.65 3.76 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 0.00 0.00 0.00 59 V 6.80 4.09 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 0.71 0.00 0.00 0.87 0.00 0.00 60 K 7.32 4.32 0.00 1.71 1.64 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.20 7.81 61 N 7.67 4.28 0.00 2.83 2.75 0.00 0.00 6.78 6.71 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 62 N 8.07 4.24 0.00 2.93 2.77 0.00 0.00 7.22 7.73 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 63 P 0.00 4.25 0.00 2.19 2.09 0.00 3.78 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 2.09 2.17 0.00 64 I 8.24 3.84 1.95 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 1.45 0.85 0.91 0.00 0.00 65 G 8.24 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 66 K 8.16 3.94 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.45 1.71 7.81 67 A 7.99 4.01 1.42 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 0.00 0.00 0.00 68 I 8.15 3.90 2.01 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 1.52 0.84 0.91 0.00 0.00 69 T 7.88 3.92 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 1.21 0.00 0.00 70 I 7.85 3.76 2.02 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 1.52 0.77 0.91 0.00 0.00 71 D 8.66 4.35 0.00 2.63 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 72 Q 7.86 3.94 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 73 A 7.50 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 74 L 7.87 4.05 0.00 1.77 1.75 0.92 1.27 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 75 N 7.67 4.40 0.00 2.88 2.75 0.00 0.00 7.05 7.64 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 *90 D 8.12 4.50 0.00 2.79 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 91 T 7.75 4.45 4.34 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 1.38 0.00 0.00 92 S 8.28 4.06 0.00 4.00 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 93 R 8.11 3.80 0.00 1.83 1.98 0.00 3.09 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 94 P 0.00 4.39 0.00 2.22 2.09 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 95 A 8.10 4.88 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 96 K 7.26 4.04 0.00 1.95 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.64 7.81 97 L 7.87 4.17 0.00 1.73 1.72 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.94 4.31 0.00 2.75 2.83 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 99 E 8.48 4.00 0.00 2.24 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 2.36 2.52 0.00 100 D 8.53 4.41 0.00 2.80 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 0.00 101 V 7.72 3.56 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 1.03 0.00 0.00 1.02 0.00 0.00 102 N 7.84 4.30 0.00 2.91 2.86 0.00 0.00 6.72 6.97 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 0.00 103 K 8.11 3.86 0.00 1.95 1.97 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.51 7.81 104 L 8.38 4.00 0.00 1.72 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.18 3.94 0.00 2.02 1.97 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 106 M 8.06 4.06 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 107 M 7.96 4.05 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 108 L 7.73 4.11 0.00 1.88 1.72 0.92 0.58 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 0.00 109 S 8.57 4.33 0.00 3.94 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 0.00 110 S 8.28 4.32 0.00 4.06 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 0.00 111 K 8.11 4.44 0.00 1.85 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.31 7.81 112 G 8.05 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 0.00 0.00 0.00 113 I 7.27 4.16 1.98 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 1.47 1.21 0.92 0.00 0.00 114 D 8.02 4.70 0.00 2.95 2.84 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 0.00 115 Q 8.69 4.07 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 116 K 8.06 3.94 0.00 1.78 1.87 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.11 7.81 117 M 7.98 4.27 0.00 2.01 2.39 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 118 R 8.00 3.91 0.00 1.87 1.98 0.00 3.13 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 1.65 1.95 0.00 119 V 8.17 3.59 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 1.05 0.00 0.00 0.99 0.00 0.00 120 L 7.87 4.21 0.00 1.84 1.84 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.33 4.44 0.00 2.79 2.93 0.00 0.00 7.19 7.51 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 0.00 122 A 7.74 4.30 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 0.00 123 C 7.74 4.04 0.00 2.75 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 0.00 0.00 0.00 124 F 7.65 5.57 0.00 2.99 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 0.00 125 S 8.98 4.91 0.00 3.92 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 0.00 126 V 8.62 5.04 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 0.79 0.00 0.00 0.95 0.00 0.00 127 K 9.01 4.82 0.00 1.41 1.59 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.22 7.81 128 R 8.76 3.66 0.00 1.91 2.09 0.00 3.06 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 129 I 7.06 3.17 2.06 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 1.41 1.14 0.91 0.00 0.00 130 P 0.00 3.60 0.00 2.05 1.65 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 131 G 9.11 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 0.00 0.00 0.00 132 K 7.56 4.59 0.00 1.88 1.66 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.37 7.81 133 S 8.24 4.70 0.00 3.95 3.89 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 0.00 134 S 7.20 4.57 0.00 3.94 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 0.00 135 S 8.38 5.15 0.00 3.70 3.82 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 0.00 136 I 8.69 4.49 1.87 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 0.82 0.91 0.00 0.00 137 I 8.52 5.00 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.72 0.00 0.00 138 K 8.88 4.84 0.00 1.40 1.59 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.26 7.81 139 C 8.94 4.76 0.00 2.86 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 0.00 140 T 8.02 4.37 4.19 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 1.21 0.00 0.00 141 K 8.58 4.03 0.00 1.79 1.88 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 142 L 7.72 3.92 0.00 1.59 1.63 0.88 0.83 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 0.00 143 M 7.72 3.87 0.00 1.84 1.66 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.24 0.00 144 R 7.85 3.90 0.00 2.02 1.95 0.00 3.34 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 145 D 7.83 4.33 0.00 2.80 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 0.00 146 K 7.88 4.13 0.00 1.98 1.83 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.69 7.81 147 L 8.31 4.05 0.00 1.88 1.72 0.94 0.88 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 0.00 148 E 8.29 4.18 0.00 2.06 1.87 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 2.26 2.23 0.00 149 R 7.77 4.50 0.00 1.89 1.73 0.00 3.14 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 150 G 7.06 4.09 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 0.00 0.00 0.00 151 E 8.68 4.61 0.00 1.93 1.67 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 0.00 2.12 1.85 0.00 152 V 8.59 3.84 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 0.86 0.00 0.00 0.93 0.00 0.00 153 E 8.70 4.33 0.00 1.98 1.73 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 2.18 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.