NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2973 8.2644 123.5807 52.3426 19.7948 176.1005 2 S 4.2393 8.6548 112.4720 57.0836 64.0336 172.1761 3 A 4.0323 8.4261 129.2532 49.6110 16.4693 177.0653 4 A 5.5252 7.0990 127.5727 51.6807 22.6383 177.8603 5 K 4.6829 7.3808 119.6561 57.7349 33.2211 176.1168 6 G 3.9992 8.8944 112.1741 47.8919 0.0000 174.3000 7 D 3.3943 6.9435 112.5319 52.4531 42.8073 177.3769 8 H 3.8558 8.3901 118.8829 57.0563 28.1669 176.1866 9 G 3.9993 7.5784 106.2494 48.4702 0.0000 175.1354 10 G 3.7091 7.2023 114.7833 43.6492 0.0000 171.9386 *12 G 3.8183 8.4955 113.6836 44.9637 0.0000 172.4493 13 A 4.1421 8.6113 119.4683 55.1761 18.1613 179.5789 14 R 3.9027 8.1343 116.6940 60.1957 30.1497 178.7157 15 T 3.9222 7.9223 114.7857 66.5021 68.4414 176.6500 16 W 3.9984 8.1745 120.3989 59.3518 29.0208 178.7261 17 R 3.8942 8.4989 119.3147 59.0903 29.4797 178.0349 18 F 4.1491 8.4629 120.6645 61.6365 39.2656 177.2162 19 L 3.9741 8.1213 118.3534 57.8793 41.2836 179.6083 20 T 3.7716 8.0417 115.8004 66.8359 68.2264 176.5884 21 F 4.6990 8.1140 117.7242 59.1943 39.2108 177.2849 22 G 4.2221 8.4618 103.3307 44.4855 0.0000 173.4753 23 L 4.5315 7.6578 119.9099 56.2365 44.5009 178.0251 24 A 3.9549 8.3741 120.3253 55.4007 18.3537 179.7076 25 L 4.0130 8.1727 117.4210 57.1761 41.6543 177.6674 26 P 4.2805 0.0000 0.0000 66.0107 31.1930 178.5713 27 S 4.1001 8.0878 113.5834 61.6093 62.6595 176.9858 28 V 3.5362 7.8867 120.6651 65.8294 31.2553 177.7889 29 A 4.0082 8.4856 120.9072 55.2037 18.2374 179.6402 30 L 3.8818 8.1052 117.3974 58.3314 41.6924 179.6073 31 C 4.2211 8.3649 116.8876 63.0653 27.8638 176.4148 32 T 3.5328 8.1871 117.8849 66.1582 67.7355 176.5793 33 L 3.9384 7.5503 121.4426 58.1451 42.5742 177.8828 34 N 4.2781 8.4679 117.3617 56.9279 38.5205 176.8802 35 S 3.8743 8.0245 116.4106 60.8003 62.8604 176.0803 36 W 5.6161 7.9661 120.1539 56.6524 30.0074 176.9378 37 L 4.6943 7.6827 118.9881 57.3729 44.9517 176.4080 38 H 4.7324 8.1767 112.6266 56.1025 28.3855 175.9730 39 S 4.6306 7.4352 116.3233 57.4344 65.2163 173.4758 40 G 4.0202 8.7181 106.9573 46.3763 0.0000 173.0347 41 H 4.4598 8.2774 119.3244 55.4457 29.2808 175.7255 42 R 4.0937 8.4674 123.7858 55.2814 30.7164 175.7754 43 E 3.9161 8.7365 122.7661 56.0989 29.3591 176.5704 44 R 4.0017 8.5110 123.0782 56.0626 29.6875 174.6729 45 P 4.5749 0.0000 0.0000 61.5820 32.6045 175.6684 46 A 4.1129 8.6037 122.1636 52.8427 18.6653 177.2482 47 F 4.4525 8.9890 124.0151 57.8245 40.1773 174.7979 48 I 3.9608 7.2062 127.9270 58.5077 40.2049 175.0376 49 P 4.1920 0.0000 0.0000 61.8730 29.7328 176.5118 50 Y 4.2578 7.1333 116.8082 59.7107 38.7300 178.0069 51 H 4.4778 9.0310 120.5930 57.7673 29.2610 175.6916 52 H 4.7198 8.2744 113.4198 55.4214 28.8901 174.3128 53 L 4.7622 7.0022 117.8916 53.3672 45.3412 175.7107 54 R 3.8710 8.5982 115.6112 57.3992 27.4982 177.4388 55 I 3.8833 7.6274 116.8543 61.6495 37.9449 177.4196 56 R 4.3073 8.1528 123.2908 54.9503 31.3295 174.2615 57 T 4.3168 8.0111 112.1563 61.7231 70.3751 175.4885 58 K 4.4567 7.2219 121.1776 53.8732 35.2284 173.6373 59 P 4.2046 0.0000 0.0000 62.0549 32.2367 176.4993 60 F 3.9786 7.8340 119.5873 57.6540 39.1503 175.8376 61 S 4.5563 8.0048 118.3435 58.0928 63.1894 174.0880 62 W 5.1587 7.4720 115.0315 55.8728 31.5141 175.3040 63 G 3.7809 8.5431 108.4669 47.4529 0.0000 174.0846 64 D 4.5847 8.8718 124.4003 53.0407 39.8316 177.7094 65 G 4.2459 8.4411 109.9689 45.5417 0.0000 174.3760 66 N 4.9858 8.7351 115.8768 53.2196 39.9202 173.1496 67 H 4.8589 8.0997 114.1957 54.2550 31.3149 174.2985 68 T 3.5054 8.3117 113.9800 61.1549 69.3192 174.8764 69 F 3.1784 8.7341 124.5373 60.3636 39.4011 175.8838 70 F 5.1039 7.4453 118.1832 56.5621 39.5694 175.1767 71 H 4.0780 7.9505 119.9488 56.6254 30.3108 173.5587 72 N 4.8704 8.4152 124.4069 51.0108 39.4051 172.7771 73 P 4.3577 0.0000 0.0000 65.7019 31.7104 178.8943 74 R 4.2020 7.9879 117.1478 58.5455 30.0266 177.2484 75 V 4.5218 7.2630 107.7949 60.3473 33.5771 174.9554 76 N 4.9003 8.5291 118.2159 50.5161 39.0267 172.8065 77 P 4.1816 0.0000 0.0000 61.9295 32.3895 176.3186 78 L 4.3280 8.0032 120.4398 53.3511 42.4747 176.4073 79 P 4.3868 0.0000 0.0000 65.6154 31.1331 177.6792 80 T 4.2125 8.4003 105.5502 60.9477 69.6008 173.5692 81 G 2.0467 6.8286 108.6851 42.9187 0.0000 172.8572 82 Y 4.3994 7.4264 117.2118 57.8317 38.3345 176.4843 83 E 4.2162 8.5825 122.4695 55.8391 30.4450 177.3107 84 K 4.1370 8.5954 120.0608 56.9887 32.0544 176.9879 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 1.26 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 2 S 8.65 4.24 0.00 3.87 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 3 A 8.43 4.03 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 4 A 7.10 5.53 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 5 K 7.38 4.68 0.00 1.60 1.43 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.20 1.30 7.81 6 G 8.89 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 0.00 0.00 0.00 7 D 6.94 3.39 0.00 2.56 2.24 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 8 H 8.39 3.86 0.00 3.27 3.39 0.00 5.99 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 7.58 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 0.00 0.00 0.00 10 G 7.20 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 *12 G 8.50 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 0.00 0.00 0.00 13 A 8.61 4.14 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 14 R 8.13 3.90 0.00 1.94 2.01 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 15 T 7.92 3.92 4.29 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 0.79 0.00 0.00 16 W 8.17 4.00 0.00 3.53 3.34 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 17 R 8.50 3.89 0.00 2.07 2.22 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 18 F 8.46 4.15 0.00 3.23 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 19 L 8.12 3.97 0.00 1.82 1.62 -0.01 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.04 3.77 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 0.67 0.00 0.00 21 F 8.11 4.70 0.00 3.10 3.03 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 22 G 8.46 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 0.00 0.00 0.00 0.00 23 L 7.66 4.53 0.00 1.66 1.76 0.91 1.14 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 24 A 8.37 3.95 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 8.17 4.01 0.00 1.87 1.81 1.04 0.94 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 26 P 0.00 4.28 0.00 2.19 2.16 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 27 S 8.09 4.10 0.00 4.06 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 7.89 3.54 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 1.09 0.00 0.00 0.99 0.00 0.00 29 A 8.49 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 8.11 3.88 0.00 1.81 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.36 4.22 0.00 2.86 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 32 T 8.19 3.53 4.42 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 1.30 0.00 0.00 33 L 7.55 3.94 0.00 1.77 1.97 0.92 1.10 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 34 N 8.47 4.28 0.00 2.64 2.82 0.00 0.00 7.30 7.43 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 35 S 8.02 3.87 0.00 3.13 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 36 W 7.97 5.62 0.00 3.22 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 37 L 7.68 4.69 0.00 1.89 1.77 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.18 4.73 0.00 3.16 3.32 0.00 5.89 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.44 4.63 0.00 4.21 4.46 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 40 G 8.72 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 0.00 0.00 0.00 41 H 8.28 4.46 0.00 3.17 3.24 0.00 5.70 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 42 R 8.47 4.09 0.00 1.85 1.89 0.00 3.26 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 43 E 8.74 3.92 0.00 1.93 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 2.29 2.25 0.00 44 R 8.51 4.00 0.00 1.96 1.88 0.00 2.27 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.29 0.00 45 P 0.00 4.57 0.00 2.32 2.17 0.00 4.01 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 2.17 2.07 0.00 46 A 8.60 4.11 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 47 F 8.99 4.45 0.00 3.03 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.21 3.96 1.23 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 -0.23 0.00 0.00 49 P 0.00 4.19 0.00 2.05 2.14 0.00 3.39 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 50 Y 7.13 4.26 0.00 2.90 2.72 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 0.00 0.00 0.00 51 H 9.03 4.48 0.00 3.22 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.27 4.72 0.00 3.26 3.38 0.00 5.47 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 53 L 7.00 4.76 0.00 1.64 1.58 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.60 3.87 0.00 1.96 2.03 0.00 3.35 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 1.71 1.77 0.00 55 I 7.63 3.88 1.90 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 8.15 4.31 0.00 1.66 1.68 0.00 3.14 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 57 T 8.01 4.32 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 1.17 0.00 0.00 58 K 7.22 4.46 0.00 1.57 1.50 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.18 1.36 7.81 59 P 0.00 4.20 0.00 1.94 1.83 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 60 F 7.83 3.98 0.00 2.35 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 8.00 4.56 0.00 4.15 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 62 W 7.47 5.16 0.00 3.45 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 63 G 8.54 3.78 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 0.00 0.00 0.00 64 D 8.87 4.58 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 8.44 4.25 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 0.00 66 N 8.74 4.99 0.00 2.59 2.89 0.00 0.00 6.99 7.43 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 67 H 8.10 4.86 0.00 3.15 3.16 0.00 5.96 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.31 3.51 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 1.29 0.00 0.00 69 F 8.73 3.18 0.00 2.37 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 0.00 0.00 0.00 0.00 70 F 7.45 5.10 0.00 3.13 3.07 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 71 H 7.95 4.08 0.00 3.36 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.42 4.87 0.00 2.75 2.66 0.00 0.00 7.21 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 4.36 0.00 2.24 2.27 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 2.16 2.19 0.00 74 R 7.99 4.20 0.00 1.88 1.93 0.00 3.29 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 75 V 7.26 4.52 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 0.80 0.00 0.00 0.98 0.00 0.00 76 N 8.53 4.90 0.00 2.61 2.82 0.00 0.00 6.98 7.65 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 77 P 0.00 4.18 0.00 1.58 0.67 0.00 3.74 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 2.00 1.71 0.00 78 L 8.00 4.33 0.00 1.61 1.56 0.88 0.72 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 79 P 0.00 4.39 0.00 2.04 2.15 0.00 3.63 0.00 0.00 3.71 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 8.40 4.21 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 1.19 0.00 0.00 81 G 6.83 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 0.00 0.00 0.00 82 Y 7.43 4.40 0.00 2.95 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 83 E 8.58 4.22 0.00 2.04 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 2.34 2.40 0.00 84 K 8.60 4.14 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.