NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3050 8.2644 123.5807 52.4633 19.8015 175.8886 2 S 4.2276 8.0506 110.0322 56.5531 63.0190 171.2764 3 A 3.8567 8.3569 124.7813 52.2031 17.8701 177.9861 4 A 5.1578 6.6701 129.5787 52.6555 21.7888 177.3176 5 K 4.5754 7.4221 122.1795 57.4369 32.5763 175.6055 6 G 3.9597 8.2167 111.1700 44.5340 0.0000 177.9765 7 D 3.3700 8.5019 114.8358 52.1681 44.4505 174.0645 8 H 4.0998 8.0740 117.9319 56.8928 27.8454 175.7917 9 G 4.0745 8.0915 113.6775 48.3496 0.0000 174.3331 10 G 3.9233 7.2791 111.3772 44.2736 0.0000 173.1364 *12 G 3.8097 8.4661 115.2074 44.7858 0.0000 172.5302 13 A 4.1502 8.5337 119.5265 55.2191 18.0641 179.7144 14 R 3.9696 8.0657 116.7674 59.8425 30.1969 178.7788 15 T 3.8965 7.8846 114.9850 66.6308 68.5698 176.6690 16 W 4.1248 8.0446 120.6656 59.5507 28.9968 178.7060 17 R 3.9368 8.8029 119.4563 59.2004 29.4568 178.1758 18 F 4.2962 8.5748 120.9380 61.4873 39.2631 177.1823 19 L 3.9721 8.0735 118.5563 57.7562 41.4043 179.3537 20 T 3.7710 7.9940 115.7665 66.8332 68.2420 176.4034 21 F 4.9148 7.9648 117.3021 59.0404 39.2803 177.4220 22 G 4.1738 8.4472 103.7073 44.6669 0.0000 173.5785 23 L 4.5145 7.6729 119.8076 56.3733 44.4251 178.1358 24 A 3.9564 8.3517 120.2148 55.2952 18.4062 179.6531 25 L 3.9685 8.3503 117.8393 57.3523 41.6535 177.8369 26 P 4.2722 0.0000 0.0000 65.9073 31.3016 178.6251 27 S 4.0984 8.0051 113.5878 61.7471 62.6769 177.0713 28 V 3.5869 7.8283 120.5786 65.6687 31.1971 177.9048 29 A 4.0143 7.9561 120.7658 54.6208 18.3261 179.6336 30 L 3.9074 8.0795 117.7966 58.2801 41.8611 179.5384 31 C 4.1052 8.0621 116.6141 62.7751 27.8833 176.3691 32 T 3.2593 7.9696 117.5700 66.9938 67.8191 175.8622 33 L 3.7762 7.6593 118.0596 58.5311 41.7924 178.4884 34 N 4.1973 8.4974 116.3038 57.3609 38.4304 177.4315 35 S 4.1116 7.7606 115.6960 60.2105 63.9222 175.0118 36 W 5.3771 7.7670 122.8958 55.2148 26.0395 174.3327 37 L 4.5800 7.5005 123.7755 56.8586 49.8100 174.7401 38 H 4.5102 8.4329 114.9474 56.7698 28.5702 175.8610 39 S 4.5895 7.7723 114.9205 57.4912 64.6566 173.6135 40 G 3.9727 8.5909 107.4548 45.8167 0.0000 173.0801 41 H 4.1821 8.4259 118.8566 56.2388 29.0205 175.6175 42 R 4.2596 8.3956 123.5038 55.0853 31.0086 175.9650 43 E 4.0535 8.6047 122.2762 55.5303 29.8078 176.8395 44 R 3.9752 8.6175 123.3421 56.2029 29.6646 174.6314 45 P 4.6269 0.0000 0.0000 61.2855 32.7703 175.5424 46 A 4.1442 8.5233 121.9353 52.6422 18.6820 177.3248 47 F 4.5186 8.9683 124.2042 57.9431 40.1485 174.7508 48 I 3.8955 7.3299 127.5542 58.7415 40.3383 174.8311 49 P 4.0869 0.0000 0.0000 61.5829 30.0952 176.3542 50 Y 4.2835 7.0935 116.7271 58.9865 38.7855 177.8203 51 H 4.6334 8.9516 118.9553 57.1675 29.4097 175.7507 52 H 4.7396 8.2397 113.6822 55.3667 28.8513 174.2384 53 L 4.7765 6.9929 117.8156 53.4014 45.5588 175.6681 54 R 3.8686 8.6234 115.4757 57.3760 27.5185 177.3960 55 I 3.8250 7.6268 116.6785 61.5914 37.9512 177.1697 56 R 4.2171 8.1761 123.0719 55.2434 31.7366 174.7549 57 T 4.3063 7.9880 112.5360 61.4865 70.0272 175.0690 58 K 4.2406 7.1097 120.2870 54.6197 34.9721 172.8688 59 P 4.2026 0.0000 0.0000 62.2039 32.2354 176.4971 60 F 3.9781 8.1004 121.1134 57.8019 39.1703 175.7718 61 S 4.5198 7.8583 118.7171 58.3116 62.7366 173.5370 62 W 5.2752 6.6741 117.8316 55.0008 31.9849 175.2440 63 G 3.7695 8.6527 107.0736 47.3317 0.0000 173.8898 64 D 4.5919 8.8502 124.5211 53.1397 39.8244 177.8295 65 G 4.1788 8.5358 109.4959 45.5978 0.0000 174.2672 66 N 5.0191 8.8689 115.7239 53.0806 40.2370 173.1974 67 H 4.8858 8.1474 114.3016 54.6274 31.1137 174.5360 68 T 3.6905 8.2620 113.7703 60.7879 69.7445 175.2461 69 F 3.2375 8.7440 124.0667 60.3928 39.5430 175.9384 70 F 4.8764 7.5055 117.6640 56.1652 39.2692 175.5672 71 H 3.9693 7.8867 119.6365 56.8646 30.2521 173.4453 72 N 4.8262 8.4731 125.1005 51.0194 38.7043 172.7920 73 P 4.2357 0.0000 0.0000 65.5417 31.7910 179.0083 74 R 4.0649 8.1152 117.7469 58.6492 29.9775 177.3538 75 V 4.4658 7.3147 104.5330 60.4394 33.5707 175.0943 76 N 4.8379 8.3973 118.1557 50.5651 38.4874 172.9388 77 P 4.1225 0.0000 0.0000 62.0460 32.2637 176.1698 78 L 4.4091 7.9197 120.0909 52.7751 42.8735 176.2175 79 P 4.2946 0.0000 0.0000 65.5967 31.1295 177.6344 80 T 4.3272 7.7382 105.3084 60.7316 69.2860 172.6697 81 G 2.1569 7.1720 108.7244 43.4409 0.0000 173.1538 82 Y 4.3038 7.5904 116.5172 57.6879 38.4094 176.1502 83 E 4.2798 8.6862 122.1204 55.5853 30.6040 177.2287 84 K 4.1797 8.6254 119.6379 57.0641 32.0192 176.5525 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 1 A 8.26 4.30 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 2 S 8.05 4.23 0.00 3.84 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 3 A 8.36 3.86 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 4 A 6.67 5.16 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 5 K 7.42 4.58 0.00 1.57 1.39 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.30 7.81 6 G 8.22 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 7 D 8.50 3.37 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.07 4.10 0.00 3.20 3.68 0.00 5.98 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 9 G 8.09 4.07 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 0.00 0.00 0.00 10 G 7.28 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 *12 G 8.47 3.81 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 0.00 0.00 0.00 13 A 8.53 4.15 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 14 R 8.07 3.97 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 15 T 7.88 3.90 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 0.78 0.00 0.00 16 W 8.04 4.12 0.00 3.39 3.23 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 0.00 0.00 0.00 0.00 17 R 8.80 3.94 0.00 2.01 2.20 0.00 3.23 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 18 F 8.57 4.30 0.00 3.28 3.10 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 19 L 8.07 3.97 0.00 1.87 1.65 -0.01 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.99 3.77 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 0.78 0.00 0.00 21 F 7.96 4.91 0.00 3.11 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 22 G 8.45 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 0.00 0.00 0.00 0.00 23 L 7.67 4.51 0.00 1.65 1.79 0.90 1.26 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 24 A 8.35 3.96 1.37 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 25 L 8.35 3.97 0.00 1.83 1.82 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.27 0.00 2.18 2.14 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 27 S 8.01 4.10 0.00 4.09 3.90 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 28 V 7.83 3.59 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 1.04 0.00 0.00 0.98 0.00 0.00 29 A 7.96 4.01 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 30 L 8.08 3.91 0.00 1.84 1.69 0.91 0.75 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 31 C 8.06 4.11 0.00 2.86 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 32 T 7.97 3.26 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 0.92 0.00 0.00 33 L 7.66 3.78 0.00 1.81 1.66 0.94 0.94 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 34 N 8.50 4.20 0.00 2.68 2.86 0.00 0.00 7.40 6.95 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 35 S 7.76 4.11 0.00 3.13 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 36 W 7.77 5.38 0.00 3.20 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 37 L 7.50 4.58 0.00 1.78 1.68 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.43 4.51 0.00 3.19 3.33 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.77 4.59 0.00 4.13 4.44 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 40 G 8.59 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 41 H 8.43 4.18 0.00 3.15 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.40 4.26 0.00 1.84 1.89 0.00 3.25 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 43 E 8.60 4.05 0.00 1.94 1.89 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 2.29 2.25 0.00 44 R 8.62 3.98 0.00 1.94 1.86 0.00 2.24 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 45 P 0.00 4.63 0.00 2.32 2.17 0.00 4.03 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 2.14 2.07 0.00 46 A 8.52 4.14 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 47 F 8.97 4.52 0.00 2.93 3.06 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 48 I 7.33 3.90 1.14 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 -0.16 0.00 0.00 49 P 0.00 4.09 0.00 1.83 1.94 0.00 3.22 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 50 Y 7.09 4.28 0.00 2.92 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 51 H 8.95 4.63 0.00 3.20 3.38 0.00 5.69 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 52 H 8.24 4.74 0.00 3.27 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 6.99 4.78 0.00 1.65 1.59 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.62 3.87 0.00 1.96 2.02 0.00 3.34 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 55 I 7.63 3.82 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 1.44 0.76 0.89 0.00 0.00 56 R 8.18 4.22 0.00 1.65 1.68 0.00 3.10 0.00 0.00 2.95 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 57 T 7.99 4.31 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 1.17 0.00 0.00 58 K 7.11 4.24 0.00 1.59 1.53 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 1.33 7.81 59 P 0.00 4.20 0.00 1.96 1.85 0.00 3.63 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 60 F 8.10 3.98 0.00 2.20 1.45 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 61 S 7.86 4.52 0.00 4.10 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 62 W 6.67 5.28 0.00 3.40 3.32 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 63 G 8.65 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 64 D 8.85 4.59 0.00 2.78 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 65 G 8.54 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 0.00 0.00 0.00 0.00 66 N 8.87 5.02 0.00 2.55 2.85 0.00 0.00 7.01 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 67 H 8.15 4.89 0.00 3.14 3.18 0.00 5.95 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.26 3.69 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 1.37 0.00 0.00 69 F 8.74 3.24 0.00 2.43 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 0.00 0.00 0.00 0.00 70 F 7.51 4.88 0.00 3.11 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 71 H 7.89 3.97 0.00 3.31 3.30 0.00 5.90 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.47 4.83 0.00 2.74 2.66 0.00 0.00 7.18 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 73 P 0.00 4.24 0.00 2.23 2.16 0.00 3.65 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 2.14 2.17 0.00 74 R 8.12 4.06 0.00 2.01 1.91 0.00 3.27 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 75 V 7.31 4.47 2.17 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 0.78 0.00 0.00 0.97 0.00 0.00 76 N 8.40 4.84 0.00 2.72 2.84 0.00 0.00 6.98 8.14 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 77 P 0.00 4.12 0.00 1.35 0.49 0.00 3.72 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 78 L 7.92 4.41 0.00 1.66 1.55 0.86 1.01 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 79 P 0.00 4.29 0.00 2.03 2.15 0.00 3.61 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 2.14 2.11 0.00 80 T 7.74 4.33 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 1.20 0.00 0.00 81 G 7.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.59 4.30 0.00 2.94 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 83 E 8.69 4.28 0.00 2.04 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 2.34 2.36 0.00 84 K 8.63 4.18 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.55 7.81 * Residues marked with a * may have inaccurate shift predictions.