NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2519 8.1749 115.2422 61.8132 68.5214 172.9728 6 V 4.3500 7.9662 120.6113 58.8466 35.0258 173.4543 7 W 4.8267 8.8349 123.5170 55.1593 32.1139 175.5931 8 G 4.2021 8.4134 108.8765 44.3050 0.0000 172.6372 9 A 4.3054 8.5068 126.4056 51.0031 19.4737 177.1016 10 L 4.2901 8.2731 123.4386 56.1667 42.9548 176.1408 11 G 4.2054 8.8456 113.0591 45.6428 0.0000 173.7209 12 H 4.6947 7.3183 114.9806 53.9621 30.5542 174.5837 13 G 4.0298 8.2095 109.5537 44.8496 0.0000 173.0016 14 I 4.5349 7.7742 118.2336 59.1429 41.0558 173.8903 15 N 4.6455 8.5325 123.7171 51.3017 39.8068 174.7502 16 L 4.1945 7.9858 124.4509 53.6353 41.1474 176.6233 17 N 4.5239 8.5335 121.8019 52.9456 39.0027 175.0657 18 I 4.2542 8.3833 122.7034 58.6127 38.3081 173.1799 19 P 4.3778 0.0000 0.0000 64.8402 31.1762 175.3838 20 N 4.2429 8.8406 117.7625 53.9754 36.4159 173.4737 21 F 4.7879 7.6544 117.1595 56.5968 41.2158 175.2281 22 Q 3.8719 6.4027 125.8380 54.1061 30.6713 174.2129 23 M 3.9697 8.4261 126.3565 55.8592 32.1675 175.0184 24 T 4.6805 7.9562 115.5706 59.3421 71.9083 174.5577 25 D 4.5439 8.5148 120.3563 56.9117 41.0406 177.9826 26 D 4.4699 7.7546 119.1411 56.9907 40.9507 177.1680 27 I 3.8587 7.5090 120.3161 62.0547 37.5701 174.7063 28 D 4.8222 9.0151 124.9479 55.4122 42.9873 175.5688 29 E 5.9034 8.0747 116.2903 53.4887 33.3266 175.1322 30 V 4.3895 8.5620 124.5812 61.2897 34.8836 173.7690 31 R 5.0763 8.4698 124.7464 54.2519 31.4446 175.0434 32 W 4.5723 9.5091 124.9841 55.5360 31.0414 175.4574 33 E 5.0513 8.7661 122.1919 55.0625 33.1035 174.8335 34 R 4.3836 8.7794 124.2256 55.2110 31.3134 175.6950 35 G 4.1037 8.3958 117.7036 46.8089 0.0000 174.8782 36 S 4.2760 8.6915 116.7138 60.5144 63.9257 175.2012 37 T 3.8807 7.5060 118.8209 63.2008 68.5476 173.1005 38 L 4.4524 8.4016 128.6499 54.7023 42.4456 175.9637 39 V 4.0849 8.6747 126.8323 64.8004 31.9712 175.7870 40 A 4.9079 7.9545 121.0125 50.1134 22.7971 173.8784 41 E 5.0186 8.8401 121.0701 54.5741 32.9544 174.1168 42 F 4.9877 9.4961 129.3198 56.2845 42.6675 173.8496 43 K 4.5115 7.3652 126.3291 55.4088 34.2710 175.3668 44 R 3.8698 8.7661 129.4952 58.9591 30.7951 176.7707 45 K 4.1725 8.7047 120.5726 54.8588 33.2263 173.7468 *48 P 4.4108 0.0000 0.0000 62.3030 32.4855 175.6897 49 F 4.6003 8.5832 122.4576 57.3121 40.2358 175.0395 50 L 4.3273 7.1857 126.5536 52.2732 44.8938 176.0880 51 K 3.8324 8.4845 125.3312 58.8857 31.9362 176.1782 52 S 4.7368 7.9658 110.5365 56.5620 66.0147 174.0857 53 G 3.6485 8.5964 107.3910 47.8323 0.0000 174.7778 54 A 3.9115 7.8238 122.1269 54.0383 19.2012 177.5614 55 F 5.2615 7.1253 112.1888 56.4118 41.9389 175.6671 56 E 4.5409 8.5116 117.8455 55.6715 33.2965 174.0345 57 I 4.5901 8.4945 128.3244 60.3085 39.2403 175.5925 58 L 4.3714 8.9954 129.6613 53.6581 42.5727 177.7204 59 A 4.1392 8.4780 122.2565 54.3723 18.3739 178.0644 60 N 4.7561 8.2879 111.6953 52.3603 37.6091 175.8687 61 G 4.0297 8.0823 108.8705 45.6291 0.0000 174.2575 62 D 4.5119 7.8330 119.2312 54.7150 42.1442 175.0688 63 L 4.7225 8.3804 123.6575 53.7440 43.5866 175.4494 64 K 4.4270 8.9441 127.9101 54.8413 34.2193 174.9824 65 I 4.4037 8.2530 129.6386 60.2361 37.2390 176.0009 66 K 3.9843 9.1306 128.0857 58.9855 32.0798 177.4663 67 N 4.7983 7.6827 118.8933 50.7909 40.4229 174.3834 68 L 4.2838 8.3187 125.5323 55.6010 43.1196 176.1605 69 T 4.7378 8.4084 119.6137 61.9266 73.1102 175.0128 70 R 4.0508 8.8830 123.1676 59.8404 30.2742 178.9846 71 D 4.4547 8.0453 116.0415 57.2778 40.9442 177.0188 72 D 4.7559 8.3940 117.5518 55.5051 40.9838 177.2834 73 S 4.5940 6.9714 113.6108 57.2967 64.4799 173.6311 74 G 3.9226 8.9269 106.2241 45.6411 0.0000 171.6612 75 T 4.8837 7.9450 114.5641 62.5863 69.9429 174.5075 76 Y 4.6884 9.4042 122.9909 56.3587 41.4384 174.4379 77 N 5.4732 8.6059 117.8821 51.6595 42.3111 173.8296 78 V 4.3698 8.8075 124.0209 61.6213 33.8307 174.6911 79 T 4.8412 8.4363 123.3283 62.0248 71.8708 173.1651 80 V 4.4862 8.3060 126.8153 61.2795 34.1623 174.0974 81 Y 5.7743 8.6978 123.0169 55.1657 41.9870 175.5425 82 S 4.6059 8.6176 117.2874 57.3163 65.0425 175.0968 83 T 3.8651 8.5354 116.5039 66.8569 68.2095 175.4362 84 N 4.2954 7.5187 119.0329 56.4421 38.9063 175.3785 85 G 4.1433 7.9333 103.3738 45.2979 0.0000 174.1256 86 T 4.0939 7.7223 110.8961 61.3578 69.3577 174.4192 87 R 4.0557 8.3273 124.3317 55.6943 28.5991 175.9207 88 I 3.9031 8.0350 124.1233 63.3552 37.7921 175.7803 89 L 4.7053 7.7379 122.2990 53.6108 45.8921 175.1806 90 D 5.2177 8.5157 123.3035 53.2705 42.2657 173.9708 91 K 4.8160 9.1982 123.5366 53.9605 36.0563 174.5169 92 A 5.2584 8.4648 122.3244 50.2642 22.1145 175.6151 93 L 4.7221 9.2396 120.3835 53.1816 45.9165 175.7775 94 D 5.1149 8.7589 123.5808 52.5730 41.3714 174.9402 95 L 4.2023 8.5641 126.3726 54.6961 43.0247 175.8415 96 R 4.7982 8.5418 125.0095 54.3114 33.1987 175.1345 97 I 4.2407 8.1456 122.3495 60.0479 38.2882 175.9789 98 L 4.2565 8.3725 125.1737 54.4430 42.4100 176.8851 99 E 4.6958 8.4544 119.8850 57.5273 30.4167 176.7704 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 5 T 8.17 4.25 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 1.24 0.00 0.00 6 V 7.97 4.35 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 0.80 0.00 0.00 0.88 0.00 0.00 7 W 8.83 4.83 0.00 3.26 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 8 G 8.41 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 0.00 0.00 0.00 9 A 8.51 4.31 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 10 L 8.27 4.29 0.00 1.65 1.61 0.94 1.07 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 G 8.85 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.32 4.69 0.00 3.21 3.27 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.21 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 14 I 7.77 4.53 1.86 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 1.39 0.71 0.85 0.00 0.00 15 N 8.53 4.65 0.00 2.69 2.66 0.00 0.00 7.02 7.85 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 16 L 7.99 4.19 0.00 0.74 1.49 0.72 1.04 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 17 N 8.53 4.52 0.00 2.78 2.83 0.00 0.00 7.05 7.45 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 18 I 8.38 4.25 1.96 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.18 1.05 0.00 0.00 19 P 0.00 4.38 0.00 2.24 2.11 0.00 3.98 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 20 N 8.84 4.24 0.00 2.90 2.94 0.00 0.00 6.89 7.45 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 21 F 7.65 4.79 0.00 3.10 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 22 Q 6.40 3.87 0.00 1.73 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 23 M 8.43 3.97 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 24 T 7.96 4.68 4.21 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 0.00 0.00 1.16 0.00 0.00 25 D 8.51 4.54 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.75 4.47 0.00 2.67 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 27 I 7.51 3.86 2.17 0.00 0.00 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 1.45 1.03 1.19 0.00 0.00 28 D 9.02 4.82 0.00 2.84 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 29 E 8.07 5.90 0.00 1.94 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 2.18 2.45 0.00 30 V 8.56 4.39 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 0.82 0.00 0.00 0.96 0.00 0.00 31 R 8.47 5.08 0.00 1.83 1.96 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 32 W 9.51 4.57 0.00 3.43 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 33 E 8.77 5.05 0.00 1.79 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 2.23 2.31 0.00 34 R 8.78 4.38 0.00 1.88 1.82 0.00 3.19 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 35 G 8.40 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 36 S 8.69 4.28 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 3.88 4.43 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 1.21 0.00 0.00 38 L 8.40 4.45 0.00 1.59 1.58 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.67 4.08 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 0.78 0.00 0.00 0.97 0.00 0.00 40 A 7.95 4.91 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 41 E 8.84 5.02 0.00 1.93 1.80 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 2.16 2.34 0.00 42 F 9.50 4.99 0.00 3.19 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 43 K 7.37 4.51 0.00 1.76 1.44 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.58 7.81 44 R 8.77 3.87 0.00 1.82 1.92 0.00 3.40 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 45 K 8.70 4.17 0.00 1.82 1.72 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.40 7.81 *48 P 0.00 4.41 0.00 2.12 2.03 0.00 3.83 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 49 F 8.58 4.60 0.00 2.96 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 50 L 7.19 4.33 0.00 1.42 1.55 0.98 0.88 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 K 8.48 3.83 0.00 1.56 1.91 0.00 1.69 0.00 0.00 1.98 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.54 7.81 52 S 7.97 4.74 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 53 G 8.60 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 54 A 7.82 3.91 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 55 F 7.13 5.26 0.00 2.94 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 56 E 8.51 4.54 0.00 1.97 1.77 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 2.17 2.21 0.00 57 I 8.49 4.59 1.89 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 1.36 1.12 0.93 0.00 0.00 58 L 9.00 4.37 0.00 1.72 1.59 0.97 0.68 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 59 A 8.48 4.14 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 60 N 8.29 4.76 0.00 2.83 2.90 0.00 0.00 6.23 7.00 0.00 0.00 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 8.08 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 62 D 7.83 4.51 0.00 2.61 2.61 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 0.00 0.00 0.00 0.00 63 L 8.38 4.72 0.00 1.66 1.53 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.94 4.43 0.00 1.86 1.89 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 65 I 8.25 4.40 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.71 0.88 0.00 0.00 66 K 9.13 3.98 0.00 1.56 1.82 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.47 7.81 67 N 7.68 4.80 0.00 2.57 2.67 0.00 0.00 6.83 7.85 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 68 L 8.32 4.28 0.00 1.56 1.55 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.41 4.74 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 1.28 0.00 0.00 70 R 8.88 4.05 0.00 1.92 2.02 0.00 3.18 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 71 D 8.05 4.45 0.00 2.70 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 72 D 8.39 4.76 0.00 2.85 2.86 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 73 S 6.97 4.59 0.00 4.05 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 74 G 8.93 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 0.00 0.00 0.00 75 T 7.95 4.88 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 1.31 0.00 0.00 76 Y 9.40 4.69 0.00 2.86 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 77 N 8.61 5.47 0.00 2.55 2.68 0.00 0.00 6.79 7.68 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 78 V 8.81 4.37 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 0.97 0.00 0.00 1.00 0.00 0.00 79 T 8.44 4.84 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 1.04 0.00 0.00 80 V 8.31 4.49 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 0.98 0.00 0.00 0.90 0.00 0.00 81 Y 8.70 5.77 0.00 2.78 2.79 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 82 S 8.62 4.61 0.00 4.03 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 83 T 8.54 3.87 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 1.23 0.00 0.00 84 N 7.52 4.30 0.00 2.74 2.88 0.00 0.00 7.48 7.86 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 85 G 7.93 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 0.00 0.00 0.00 86 T 7.72 4.09 4.27 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 1.33 0.00 0.00 87 R 8.33 4.06 0.00 1.84 1.87 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.00 88 I 8.03 3.90 1.92 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 1.39 0.92 0.88 0.00 0.00 89 L 7.74 4.71 0.00 1.65 1.35 0.89 0.88 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 90 D 8.52 5.22 0.00 2.56 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 91 K 9.20 4.82 0.00 1.68 1.66 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.48 7.81 92 A 8.46 5.26 1.25 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 0.00 0.00 0.00 93 L 9.24 4.72 0.00 1.57 1.53 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.76 5.11 0.00 2.55 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 95 L 8.56 4.20 0.00 1.63 1.82 0.84 0.71 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 96 R 8.54 4.80 0.00 1.80 1.79 0.00 3.26 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.84 0.00 97 I 8.15 4.24 1.88 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 1.43 0.39 0.92 0.00 0.00 98 L 8.37 4.26 0.00 1.63 1.59 0.91 0.92 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 99 E 8.45 4.70 0.00 1.94 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 2.06 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.