NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7439 8.5245 117.7940 52.5729 39.5553 174.4590 8 V 4.3351 7.6443 115.8089 58.3361 35.3688 173.8871 9 E 4.3908 9.3975 124.4071 54.9820 30.4797 175.6199 10 L 4.4409 8.1957 126.5034 53.1390 43.1147 175.8561 11 P 4.4195 0.0000 0.0000 62.9026 33.2104 177.8850 12 T 3.8514 8.4514 117.4528 66.9809 68.2322 176.6167 13 E 3.9131 8.0638 119.6349 58.9743 29.7737 178.6001 14 V 3.7098 7.6397 117.2146 65.9909 32.0398 177.6691 15 K 4.1449 8.2508 118.0903 59.1685 31.9511 179.8875 16 A 4.2481 8.0948 119.5849 52.3558 18.1952 179.5325 *18 I 4.0222 7.7209 121.9402 63.1724 39.0126 178.3946 19 E 4.0888 8.1331 117.8088 59.0227 29.3769 178.3876 20 Q 4.1449 7.8109 116.3954 57.2178 29.0623 176.4161 21 S 4.5369 7.4821 112.8286 57.3576 64.1001 174.6256 22 S 4.3393 8.3875 116.1147 60.6074 63.1903 175.0279 23 D 4.6850 7.7050 119.5652 51.5881 41.8780 175.0290 24 A 3.9819 8.1084 125.4287 54.4459 18.7919 178.9610 25 Q 3.8581 8.0255 117.5437 59.5181 29.2092 178.3342 26 A 3.9958 8.0465 121.4763 54.9096 18.3377 179.4795 27 A 3.9183 8.3427 119.7577 55.5222 18.4230 180.0039 28 T 3.7761 8.0834 114.0201 66.7665 68.5210 176.6231 29 A 4.0210 8.0880 122.6468 55.1382 18.3595 179.5014 30 L 3.9406 8.2128 118.9367 58.3164 42.2458 179.3220 31 V 3.5822 7.9861 118.2975 66.0016 31.4003 177.5100 32 N 4.3306 8.3451 116.3011 56.6308 38.3649 176.6020 33 Y 4.0560 8.2520 120.7459 60.7921 38.7938 178.4207 34 V 3.5797 8.1146 119.1016 65.9898 31.5661 178.0247 35 I 3.8990 7.9084 119.5691 64.4871 36.9801 178.6419 36 K 3.9630 8.2411 119.4105 59.1627 31.7063 179.2505 37 L 3.7568 8.0453 120.7848 57.9822 41.9262 178.8767 38 A 4.0427 8.4177 120.8085 55.2573 18.3320 179.4268 39 A 3.7816 8.2905 119.2856 55.2655 18.1877 179.7525 40 A 3.9370 8.0234 118.1803 54.5447 18.4165 178.6086 41 A 4.3525 7.3012 117.4107 51.2738 19.1321 176.7769 42 E 3.7295 8.2064 116.8811 58.5298 27.4373 174.5659 43 I 4.4030 7.7773 118.6682 59.7060 39.8280 175.2095 44 H 4.7227 8.2847 120.9369 53.7579 32.3455 172.6494 45 F 5.0707 8.3578 120.1204 55.7397 41.3102 176.5191 46 T 4.2987 8.9608 115.7516 61.2804 70.8047 175.6197 47 D 4.3506 8.5725 120.8935 57.3670 40.7977 178.8242 48 L 3.9366 7.8876 120.2861 58.3595 42.1392 178.8406 49 Q 4.0422 8.0896 117.9606 58.9569 28.6336 178.7300 50 L 3.6937 8.2631 121.5614 57.9755 42.0942 178.9956 51 Q 3.9373 8.2426 118.2063 58.9805 28.7271 179.0451 52 V 3.5654 7.8409 119.1625 65.8074 31.5795 177.7568 53 L 3.6958 8.1349 120.4651 58.3474 41.7743 178.9888 54 T 3.7459 8.1293 116.0079 66.7233 68.4143 176.0278 55 N 4.2436 8.0677 118.8340 56.8362 38.7104 176.2869 56 H 4.0270 7.8885 118.5224 59.3552 30.0590 176.9439 57 L 4.0943 8.0715 119.7836 57.7711 41.6145 179.2758 58 I 3.8918 8.0216 120.0925 64.1409 37.1475 178.3864 59 E 4.3244 8.0022 119.3602 56.4375 29.7386 178.9458 *61 L 4.1897 8.0201 122.1964 55.1080 44.1858 178.5481 62 G 3.7133 8.3023 105.3693 48.1437 0.0000 175.8312 63 R 3.9447 8.1210 120.8139 58.8464 29.8458 179.3359 64 S 4.3766 7.9032 113.9812 60.3426 63.0821 176.0472 65 K 4.1677 7.5237 121.2131 58.7979 32.3443 178.7960 66 S 4.3261 8.2015 113.6272 59.1094 63.3694 175.5100 67 G 3.9592 8.2793 109.6331 44.7863 0.0000 173.5051 68 E 4.1345 7.8444 119.2137 56.4732 30.0386 176.3784 69 Q 4.6797 8.2365 120.1033 53.9609 32.0198 175.6657 70 L 4.3761 8.2388 120.9845 53.2690 42.7342 175.1718 71 P 4.3656 0.0000 0.0000 62.3014 31.8405 176.6173 72 A 4.1238 8.4079 123.8951 52.5989 18.8878 177.9449 73 V 4.1660 8.1386 114.9900 60.1561 33.3100 175.6069 74 D 4.6801 8.3952 121.5782 52.2858 40.7402 174.6961 75 P 3.9396 0.0000 0.0000 65.2098 32.0802 178.5260 76 T 4.0637 7.8225 111.7180 61.3962 67.2443 175.4221 *78 F 4.6230 7.9558 116.6788 57.9068 40.9338 177.4666 79 A 4.0902 7.8776 125.7049 54.9600 18.1368 179.0713 80 E 4.3740 7.9864 112.5787 56.4868 30.1390 176.5926 81 V 3.8827 7.6620 120.5507 62.0392 32.4107 176.5336 82 S 4.3203 9.2320 122.5679 58.6176 64.7131 175.4826 83 Q 3.9787 8.6166 124.0125 59.1290 28.8816 178.4745 84 K 3.8424 7.9968 120.2895 59.6440 32.2333 178.8146 85 S 4.0026 7.8424 115.2616 61.5360 62.6998 176.6145 86 L 3.9716 7.9405 121.6648 57.9425 41.3546 179.4134 87 D 4.2703 8.4382 119.1682 57.2435 40.7381 178.8006 88 L 3.6987 7.7552 119.2451 57.5703 41.4449 179.4529 89 A 4.1291 7.7943 120.7153 55.1756 18.3215 179.1321 90 D 4.1722 8.3013 116.9258 57.5830 41.2560 178.3261 91 Q 3.9807 8.1778 120.0828 58.9942 28.9733 178.4211 92 V 3.7969 7.9370 119.4569 65.9656 31.6658 178.0579 93 V 3.5894 7.9297 118.0277 66.4072 31.1552 178.1133 94 Q 4.0155 8.0295 116.2282 58.8485 28.5551 177.7731 95 H 4.1814 8.2065 118.8349 59.3130 29.9700 177.0966 96 I 3.7165 7.5942 120.3289 62.5825 36.0838 177.8654 97 G 3.9453 7.5979 103.6217 46.2372 0.0000 172.3104 98 H 4.2638 8.3479 111.9541 56.7474 26.3620 174.7046 99 L 4.8659 6.9832 116.6102 52.3309 45.0256 176.6626 100 E 4.0799 8.4430 120.0452 56.2925 30.3328 178.4348 101 V 3.5218 8.6387 122.1307 66.2009 31.5554 177.6746 102 A 4.0531 7.8600 117.9759 53.3422 18.1446 178.6148 103 E 4.0561 8.3441 118.2167 58.4879 29.4570 179.2089 104 K 3.8251 7.7151 119.2570 59.8429 32.1966 178.8256 105 Y 3.7628 7.0474 117.2069 60.9417 38.0927 178.2391 106 V 3.9493 7.6146 118.5712 65.9433 31.8039 177.6013 107 L 3.9897 7.6551 120.0804 58.1160 41.8775 179.0377 108 S 4.4947 8.4077 114.2434 61.6953 62.6931 176.6775 109 I 3.8747 8.0134 123.2024 64.4751 36.8800 178.0556 110 H 4.2012 8.3676 117.1819 58.7978 28.0049 177.7468 111 F 4.2965 8.2701 119.1634 60.7035 38.7471 177.1998 112 E 4.0464 8.7443 118.8103 59.1815 29.3901 178.6684 113 A 3.9982 8.6296 121.2025 55.0815 18.2574 179.2885 114 A 4.0743 7.9565 117.4616 54.1736 18.4956 178.6875 115 Q 4.3230 7.4078 114.2106 54.6541 29.2969 175.0645 116 D 4.4348 8.0281 118.7726 55.7721 38.8651 174.3866 117 K 4.4910 8.2653 115.6505 56.2299 32.9178 176.9754 118 I 3.9910 7.6791 125.4191 61.6032 37.1326 175.6762 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 7 N 8.52 4.74 0.00 2.76 2.76 0.00 0.00 6.35 6.79 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 8 V 7.64 4.34 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 0.89 0.00 0.00 0.93 0.00 0.00 9 E 9.40 4.39 0.00 2.18 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 2.25 1.89 0.00 10 L 8.20 4.44 0.00 1.68 1.57 0.92 1.11 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 11 P 0.00 4.42 0.00 2.15 1.98 0.00 3.61 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 2.12 2.34 0.00 12 T 8.45 3.85 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 13 E 8.06 3.91 0.00 1.94 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 2.44 2.42 0.00 14 V 7.64 3.71 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 0.91 0.00 0.00 0.90 0.00 0.00 15 K 8.25 4.14 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 16 A 8.09 4.25 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 *18 I 7.72 4.02 2.01 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 1.40 0.61 0.91 0.00 0.00 19 E 8.13 4.09 0.00 2.10 2.01 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 2.56 2.42 0.00 20 Q 7.81 4.14 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 21 S 7.48 4.54 0.00 3.98 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 22 S 8.39 4.34 0.00 3.87 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 23 D 7.70 4.68 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.98 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 25 Q 8.03 3.86 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 26 A 8.05 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 27 A 8.34 3.92 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 28 T 8.08 3.78 4.40 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 1.22 0.00 0.00 29 A 8.09 4.02 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 30 L 8.21 3.94 0.00 1.83 1.86 1.01 1.22 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 31 V 7.99 3.58 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 0.94 0.00 0.00 0.95 0.00 0.00 32 N 8.35 4.33 0.00 3.01 2.91 0.00 0.00 6.68 6.99 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 33 Y 8.25 4.06 0.00 3.08 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 34 V 8.11 3.58 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 1.11 0.00 0.00 1.18 0.00 0.00 35 I 7.91 3.90 2.07 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 1.63 0.64 0.99 0.00 0.00 36 K 8.24 3.96 0.00 1.87 1.81 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 37 L 8.05 3.76 0.00 1.23 1.61 0.81 0.85 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 38 A 8.42 4.04 1.66 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 0.00 0.00 39 A 8.29 3.78 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 40 A 8.02 3.94 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 41 A 7.30 4.35 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 42 E 8.21 3.73 0.00 2.11 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 0.00 2.24 2.24 0.00 43 I 7.78 4.40 1.89 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 1.25 0.75 0.56 0.00 0.00 44 H 8.28 4.72 0.00 3.02 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.36 5.07 0.00 3.02 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 46 T 8.96 4.30 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 1.24 0.00 0.00 47 D 8.57 4.35 0.00 2.72 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 48 L 7.89 3.94 0.00 1.76 1.68 0.93 0.82 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 49 Q 8.09 4.04 0.00 2.55 2.35 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 2.46 2.43 0.00 50 L 8.26 3.69 0.00 1.85 1.79 0.69 1.09 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 51 Q 8.24 3.94 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 52 V 7.84 3.57 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 1.02 0.00 0.00 1.00 0.00 0.00 53 L 8.13 3.70 0.00 1.42 1.43 0.48 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.13 3.75 4.36 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 1.17 0.00 0.00 55 N 8.07 4.24 0.00 2.84 2.94 0.00 0.00 6.91 7.99 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 56 H 7.89 4.03 0.00 3.14 3.33 0.00 6.01 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 57 L 8.07 4.09 0.00 1.69 1.69 0.84 0.89 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 58 I 8.02 3.89 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 0.89 0.00 0.00 59 E 8.00 4.32 0.00 2.08 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 2.31 2.42 0.00 *61 L 8.02 4.19 0.00 1.79 1.84 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.30 3.71 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 0.00 0.00 0.00 63 R 8.12 3.94 0.00 1.86 2.10 0.00 3.27 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 1.64 1.77 0.00 64 S 7.90 4.38 0.00 4.25 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 65 K 7.52 4.17 0.00 1.86 1.87 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.50 7.81 66 S 8.20 4.33 0.00 4.00 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 67 G 8.28 3.96 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 0.00 0.00 0.00 68 E 7.84 4.13 0.00 1.98 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 0.00 2.34 2.28 0.00 69 Q 8.24 4.68 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 70 L 8.24 4.38 0.00 1.67 1.63 0.96 1.06 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 71 P 0.00 4.37 0.00 2.07 2.01 0.00 3.71 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 2.05 2.10 0.00 72 A 8.41 4.12 1.27 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 73 V 8.14 4.17 2.33 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 0.84 0.00 0.00 0.97 0.00 0.00 74 D 8.40 4.68 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.94 0.00 1.94 1.53 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 76 T 7.82 4.06 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 1.23 0.00 0.00 *78 F 7.96 4.62 0.00 3.20 3.26 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 79 A 7.88 4.09 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 80 E 7.99 4.37 0.00 1.97 2.01 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 2.27 2.28 0.00 81 V 7.66 3.88 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 0.91 0.00 0.00 1.19 0.00 0.00 82 S 9.23 4.32 0.00 4.09 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 83 Q 8.62 3.98 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 84 K 8.00 3.84 0.00 1.83 1.77 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.47 7.81 85 S 7.84 4.00 0.00 4.08 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 0.00 86 L 7.94 3.97 0.00 1.84 1.70 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.44 4.27 0.00 2.73 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 88 L 7.76 3.70 0.00 0.76 0.48 0.64 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.79 4.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.17 0.00 2.75 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 91 Q 8.18 3.98 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 92 V 7.94 3.80 2.39 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 1.10 0.00 0.00 1.25 0.00 0.00 93 V 7.93 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 0.98 0.00 0.00 1.00 0.00 0.00 94 Q 8.03 4.02 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 95 H 8.21 4.18 0.00 3.12 3.53 0.00 5.95 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 96 I 7.59 3.72 1.99 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 1.44 0.79 0.89 0.00 0.00 97 G 7.60 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 98 H 8.35 4.26 0.00 3.47 3.36 0.00 5.75 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 99 L 6.98 4.87 0.00 1.71 1.52 0.97 0.86 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 0.00 100 E 8.44 4.08 0.00 2.03 1.88 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 2.40 2.30 0.00 101 V 8.64 3.52 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 0.96 0.00 0.00 0.90 0.00 0.00 102 A 7.86 4.05 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 0.00 103 E 8.34 4.06 0.00 2.05 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 2.33 2.53 0.00 104 K 7.72 3.83 0.00 1.80 1.87 0.00 1.01 0.00 0.00 1.52 0.00 0.00 2.45 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.84 0.50 7.81 105 Y 7.05 3.76 0.00 2.30 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 0.00 106 V 7.61 3.95 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 1.11 0.00 0.00 1.13 0.00 0.00 107 L 7.66 3.99 0.00 1.99 1.87 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.41 4.49 0.00 4.23 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 0.00 109 I 8.01 3.87 2.10 0.00 0.00 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 2.12 1.08 0.95 0.00 0.00 110 H 8.37 4.20 0.00 3.16 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.27 4.30 0.00 3.30 3.12 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 0.00 0.00 0.00 112 E 8.74 4.05 0.00 2.33 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 2.37 2.43 0.00 113 A 8.63 4.00 1.41 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 0.00 0.00 114 A 7.96 4.07 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 0.00 115 Q 7.41 4.32 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 116 D 8.03 4.43 0.00 2.82 2.75 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 0.00 117 K 8.27 4.49 0.00 1.88 1.93 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.57 7.81 118 I 7.68 3.99 1.88 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 1.31 0.50 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.