NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2121 8.4449 120.2292 56.0833 30.8329 175.2382 3 L 4.3650 8.3330 123.6291 53.0120 42.1869 176.1689 4 K 4.5210 8.2004 132.4020 56.1502 32.3786 178.5347 5 N 5.1202 8.8802 120.8520 54.7287 40.0908 174.5171 6 S 4.7504 8.2137 114.0915 57.3417 67.4940 175.3822 7 I 3.8880 8.5459 124.8328 64.4711 36.9693 178.2668 8 S 4.6261 7.9260 112.4137 59.6529 63.0152 174.4444 9 D 4.5881 8.1305 120.2464 55.1842 41.4416 175.8671 10 Y 4.8952 8.0147 118.4323 56.7525 39.5708 175.6143 11 T 4.8870 8.8359 115.4119 60.8655 71.6628 175.7786 12 E 3.2458 8.6356 120.7356 59.3424 29.4863 179.5501 13 A 3.9720 7.9098 120.1229 55.3451 18.5685 179.3801 14 E 4.0582 8.3613 117.1076 59.5860 29.5370 179.4175 15 F 3.9546 8.5536 120.8056 61.1503 39.4195 177.3578 16 V 3.6185 7.9233 118.0416 66.0575 31.2754 178.0611 17 Q 3.9952 7.9464 117.4804 58.7608 28.5214 178.4850 18 L 3.9018 7.7446 121.4227 58.1096 42.0854 179.0678 19 L 3.8269 7.7315 118.9278 57.5629 41.4724 179.6752 20 K 3.9727 8.1336 118.6791 59.1910 31.9412 179.0375 21 E 3.9337 8.1388 119.8022 59.2977 29.5700 178.9846 22 I 3.7205 7.6726 119.9281 64.3302 36.8807 178.3043 23 E 3.9486 7.7989 118.7717 59.0500 29.4031 178.9743 24 K 4.0757 8.0855 119.8506 59.5931 32.3268 178.8133 25 E 4.0254 8.2755 118.6310 58.9717 29.1036 178.7505 26 N 4.3790 7.9221 116.3029 55.8858 38.6651 176.0903 27 V 4.1020 7.1675 110.2484 60.9088 31.9697 176.0411 28 A 4.2339 7.6723 123.2884 51.3170 19.0237 177.9558 29 A 4.0955 8.7294 123.0101 54.8523 18.3662 177.5909 30 T 4.6889 7.5731 102.3825 60.2615 71.9259 173.1682 31 D 4.8343 8.2991 117.7224 54.3828 41.3220 178.0700 32 D 4.3574 7.8245 120.4149 57.7400 40.8175 179.2181 33 V 3.5945 7.6577 117.6837 65.8023 31.6519 177.2278 34 L 3.9319 8.0168 119.7276 58.7716 41.7968 178.7569 35 D 4.3613 8.7287 118.5382 57.1595 40.6318 179.0821 36 V 3.8082 7.3693 119.2746 66.0053 31.5756 178.1706 37 L 4.1165 8.0054 118.7334 57.6580 41.3029 179.5091 38 L 4.1371 8.2818 119.5542 57.6398 41.4948 179.2608 39 E 4.0243 8.3917 118.7050 59.6284 29.3309 178.7981 40 H 4.1784 8.3488 118.3126 59.1729 29.9458 176.9280 41 F 4.0551 8.3294 122.4348 61.4331 39.3001 177.2359 42 V 3.5351 8.3287 118.0276 65.7239 31.0892 177.7779 43 K 3.8711 8.1739 118.8751 59.6658 32.2085 178.6114 44 I 3.8959 7.6750 112.1998 63.8346 37.4313 177.8646 45 T 3.7571 7.7272 111.8353 62.7640 68.4406 175.9258 46 E 3.9808 7.6819 117.3686 56.6573 27.9761 173.6055 47 H 2.9798 7.1512 120.1006 54.3247 30.3413 174.4019 48 P 4.1438 0.0000 0.0000 65.9620 31.0801 176.7127 49 D 4.6354 8.3365 116.2842 53.7238 42.6684 178.2716 50 G 4.0121 7.8417 110.7678 46.0008 0.0000 177.4122 51 T 4.1518 8.8284 118.3574 63.7728 68.1657 174.8784 52 D 4.6412 8.5700 122.7927 57.5431 40.5657 178.3657 53 L 3.9256 7.7535 118.4284 57.3920 41.5864 179.2468 54 I 3.7164 7.3214 118.3499 63.9442 37.6449 177.1526 55 Y 4.2523 7.7489 114.6934 58.6316 39.4002 175.5400 56 Y 4.7251 8.3818 117.1077 55.7042 38.7285 173.5812 57 P 4.4285 0.0000 0.0000 62.4064 32.6820 177.4997 58 S 4.3764 8.3900 116.6670 58.8248 63.1946 174.4890 59 D 4.5176 8.5890 122.0176 56.7188 40.9125 177.7955 60 N 4.7544 8.1213 114.6897 53.1383 37.4678 174.3523 61 R 4.7345 7.4045 114.1261 54.5304 32.9292 174.3415 62 D 4.5178 8.3802 118.2030 54.2350 41.5022 175.9843 63 D 4.8160 8.3302 123.7337 52.6175 39.8596 175.5567 64 S 4.5609 7.5791 117.9902 55.2017 67.1036 173.6782 65 P 4.2105 0.0000 0.0000 65.8211 31.0224 178.8488 66 E 4.0839 8.1917 117.0670 59.3690 29.3765 179.4988 67 G 3.7871 7.9737 107.1505 47.1616 0.0000 175.9085 68 I 3.7613 8.0492 122.3487 64.2416 37.1300 178.6510 69 V 3.6250 7.9584 119.0601 65.8279 31.2776 177.9107 70 K 3.9506 8.1703 119.3317 59.5489 32.0198 178.3954 71 E 4.0012 8.4849 119.7264 59.2749 29.5820 178.7464 72 I 3.7675 8.0131 119.9119 64.2659 37.2212 178.0544 73 K 3.9093 8.5599 120.7806 59.8854 31.9352 178.6101 74 E 4.0148 8.4821 118.6983 59.0532 29.2739 179.1775 75 W 4.0120 8.7148 128.8521 60.5331 30.8374 178.2927 76 R 3.7018 8.8918 118.1523 59.1130 29.4966 178.9060 77 A 3.8863 8.0216 120.3217 55.1447 18.1951 179.5849 78 A 3.9602 8.0044 118.0907 54.2692 18.3218 178.5685 79 N 4.5775 6.9646 113.0879 52.2701 39.0704 175.4782 80 G 3.8283 7.4236 106.8834 46.0710 0.0000 174.5500 81 K 4.2961 7.6321 118.6211 54.0416 33.1204 175.2058 82 P 4.2110 0.0000 0.0000 63.2093 31.6474 176.5388 83 G 3.8865 8.1253 109.4156 43.8453 0.0000 172.8587 84 F 4.4779 8.2277 117.3076 56.9164 39.4112 175.4438 85 K 4.0279 8.9969 125.3229 57.4345 32.4035 175.9393 86 Q 4.4991 8.5048 122.5948 56.9345 34.6933 174.2607 *87 G 3.7389 8.0444 110.5516 45.6646 0.0000 172.2383 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 E 8.44 4.21 0.00 1.95 1.94 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 2.21 2.27 0.00 3 L 8.33 4.36 0.00 1.66 1.40 0.87 0.60 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 4 K 8.20 4.52 0.00 1.79 1.67 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.59 0.55 7.81 5 N 8.88 5.12 0.00 2.82 2.92 0.00 0.00 5.65 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 6 S 8.21 4.75 0.00 4.16 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 7 I 8.55 3.89 1.66 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 -0.01 0.00 0.00 8 S 7.93 4.63 0.00 3.98 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 9 D 8.13 4.59 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.90 0.00 3.57 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 11 T 8.84 4.89 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 1.31 0.00 0.00 12 E 8.64 3.25 0.00 1.89 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 1.51 2.14 0.00 13 A 7.91 3.97 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 14 E 8.36 4.06 0.00 2.50 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 0.00 2.40 2.41 0.00 15 F 8.55 3.95 0.00 3.28 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 16 V 7.92 3.62 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 0.96 0.00 0.00 1.01 0.00 0.00 17 Q 7.95 4.00 0.00 2.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 18 L 7.74 3.90 0.00 1.67 1.43 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.73 3.83 0.00 1.82 1.57 1.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.13 3.97 0.00 2.07 1.82 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 21 E 8.14 3.93 0.00 2.20 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 2.30 2.38 0.00 22 I 7.67 3.72 1.87 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.75 0.00 0.00 23 E 7.80 3.95 0.00 2.06 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 0.00 2.22 2.46 0.00 24 K 8.09 4.08 0.00 1.82 1.95 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 25 E 8.28 4.03 0.00 2.03 1.98 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 2.49 2.49 0.00 26 N 7.92 4.38 0.00 2.92 2.92 0.00 0.00 6.94 6.96 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 27 V 7.17 4.10 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 0.65 0.00 0.00 1.01 0.00 0.00 28 A 7.67 4.23 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 29 A 8.73 4.10 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 30 T 7.57 4.69 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 1.21 0.00 0.00 31 D 8.30 4.83 0.00 2.69 2.99 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 32 D 7.82 4.36 0.00 2.73 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 33 V 7.66 3.59 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 0.93 0.00 0.00 34 L 8.02 3.93 0.00 1.80 1.82 0.96 1.31 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 35 D 8.73 4.36 0.00 2.75 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 36 V 7.37 3.81 2.28 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 1.06 0.00 0.00 0.95 0.00 0.00 37 L 8.01 4.12 0.00 1.90 1.71 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.28 4.14 0.00 1.88 1.80 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.39 4.02 0.00 2.23 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 2.37 2.67 0.00 40 H 8.35 4.18 0.00 3.26 3.55 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.33 4.06 0.00 3.08 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 42 V 8.33 3.54 2.29 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 0.96 0.00 0.00 1.21 0.00 0.00 43 K 8.17 3.87 0.00 1.86 1.98 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 44 I 7.68 3.90 1.90 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 1.76 0.63 0.89 0.00 0.00 45 T 7.73 3.76 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 0.47 0.00 0.00 46 E 7.68 3.98 0.00 2.31 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 2.33 2.40 0.00 47 H 7.15 2.98 0.00 2.41 2.75 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.14 0.00 2.18 2.17 0.00 2.33 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 49 D 8.34 4.64 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 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 51 T 8.83 4.15 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 1.37 0.00 0.00 52 D 8.57 4.64 0.00 2.96 2.88 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 53 L 7.75 3.93 0.00 1.87 1.84 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.32 3.72 1.42 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.21 -0.23 0.00 0.00 55 Y 7.75 4.25 0.00 2.99 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 56 Y 8.38 4.73 0.00 3.02 2.90 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 57 P 0.00 4.43 0.00 2.17 2.02 0.00 3.70 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 1.97 2.11 0.00 58 S 8.39 4.38 0.00 4.05 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 59 D 8.59 4.52 0.00 2.73 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 60 N 8.12 4.75 0.00 2.83 2.94 0.00 0.00 5.80 7.66 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 61 R 7.40 4.73 0.00 1.89 1.91 0.00 3.15 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 62 D 8.38 4.52 0.00 2.73 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 D 8.33 4.82 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.56 0.00 4.14 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 65 P 0.00 4.21 0.00 2.16 2.12 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 66 E 8.19 4.08 0.00 2.05 1.99 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 2.39 2.43 0.00 67 G 7.97 3.79 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 0.00 0.00 0.00 68 I 8.05 3.76 2.11 0.00 0.00 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 1.57 0.78 1.16 0.00 0.00 69 V 7.96 3.62 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 0.68 0.00 0.00 1.03 0.00 0.00 70 K 8.17 3.95 0.00 2.02 1.98 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.48 7.81 71 E 8.48 4.00 0.00 2.12 1.98 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 2.35 2.45 0.00 72 I 8.01 3.77 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.69 0.00 0.00 73 K 8.56 3.91 0.00 2.19 2.11 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.69 7.81 74 E 8.48 4.01 0.00 2.24 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 0.00 2.36 2.36 0.00 75 W 8.71 4.01 0.00 3.52 3.43 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 76 R 8.89 3.70 0.00 1.87 1.89 0.00 3.02 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 77 A 8.02 3.89 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 78 A 8.00 3.96 1.22 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 79 N 6.96 4.58 0.00 1.81 2.30 0.00 0.00 6.96 8.94 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 80 G 7.42 3.83 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 0.00 0.00 0.00 81 K 7.63 4.30 0.00 1.66 1.69 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.37 7.81 82 P 0.00 4.21 0.00 2.13 2.03 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 83 G 8.13 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 0.00 0.00 0.00 84 F 8.23 4.48 0.00 3.10 3.14 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 85 K 9.00 4.03 0.00 1.95 1.92 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.43 7.81 86 Q 8.50 4.50 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 *87 G 8.04 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.