NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5767 8.2227 120.3140 52.9895 41.1585 175.7122 3 Y 3.5571 8.3312 118.7413 60.4507 38.4106 177.0651 4 F 4.6019 8.6068 119.5119 60.9245 39.5164 177.3438 5 R 4.1215 8.6025 117.5973 59.0313 29.7744 178.7185 6 L 3.8437 7.8517 119.9518 58.2658 41.9847 178.9688 7 A 3.9104 8.1174 120.9162 55.0524 18.3160 179.4100 8 E 3.9283 8.4593 117.2378 59.6041 29.6205 179.7287 9 K 3.9951 8.0960 118.4347 59.4273 31.8802 179.2815 10 F 4.2868 8.3042 120.1215 61.1537 39.4137 176.5377 11 L 3.9344 8.0837 119.2328 58.3137 42.1539 178.8442 12 R 4.1446 7.9123 117.6589 59.1459 29.9910 179.3802 13 E 4.1281 7.9386 116.8291 56.9291 29.4623 178.4762 *15 H 4.7378 8.2337 120.5638 56.2401 31.6961 175.0741 16 A 4.0027 8.0580 121.1367 54.9847 18.7107 178.6591 17 K 4.0930 8.4243 117.2639 59.8609 32.4896 178.8898 18 Y 4.3888 7.6577 116.6024 58.5144 38.2297 177.7921 *20 K 4.1973 8.1712 119.2265 56.0382 34.5140 178.2521 21 R 3.9331 8.1771 118.7344 59.5324 30.0552 178.9554 22 V 3.7137 7.6622 109.8829 63.5103 31.5377 177.6131 23 S 4.2399 7.3140 112.8641 60.0624 63.6206 175.0932 24 R 4.0354 7.7337 121.5486 55.1848 30.3175 174.3766 25 P 4.3724 0.0000 0.0000 64.3603 31.7794 176.7260 26 G 4.0523 8.8614 110.2036 45.5386 0.0000 173.6679 27 N 4.5481 7.5392 116.9329 52.9250 39.1155 174.9531 28 T 3.8935 8.2625 117.7259 61.4091 67.9072 172.4264 29 P 4.4399 0.0000 0.0000 63.9759 32.5652 176.4260 30 R 2.5100 7.5421 118.2867 52.3514 30.5827 173.8597 31 P 3.2330 0.0000 0.0000 65.3848 31.3064 178.4901 32 W 4.3880 7.4343 114.6027 58.3821 28.0561 176.8060 33 F 4.6566 6.9931 119.7811 59.6702 40.2817 176.4370 34 D 4.2446 7.8162 117.5140 55.0822 41.0686 176.7661 35 F 5.1444 6.9563 117.2469 55.9283 40.7510 176.4059 36 S 4.4545 8.3994 118.0054 58.0331 65.0039 175.0215 37 E 4.0487 8.7960 122.2810 59.9660 29.1198 179.6726 38 E 3.9744 8.1200 117.8656 59.3886 29.6392 179.2492 39 R 3.8149 8.1390 118.7666 59.2996 30.0859 178.5136 40 L 4.3440 8.4702 119.2730 57.8006 41.6505 179.4372 41 L 4.1823 8.4139 119.2657 57.9484 41.6313 179.2905 42 S 4.0783 8.3360 113.2471 61.6893 62.2478 176.5079 43 R 3.7840 8.5124 120.8412 59.1090 29.5655 178.7696 44 L 4.0049 8.0656 119.0364 58.2996 42.1799 178.7532 45 F 4.0379 8.4657 116.6520 60.4117 39.1057 177.0650 46 E 4.2090 8.2933 118.2689 59.4371 29.3004 180.4904 47 E 4.2236 8.0267 116.5520 56.8160 29.3446 178.7622 *49 D 4.6040 8.0987 120.9440 54.5406 43.1591 177.9425 50 E 3.9566 8.2999 118.5657 59.1124 29.2716 179.2546 51 L 3.9639 8.0636 120.4619 58.1608 42.1384 179.0365 52 R 3.9368 8.0080 117.5152 59.4655 30.0606 178.5219 53 E 4.0651 8.3707 117.9935 59.5573 29.3979 179.3993 54 A 3.9144 8.0422 120.5910 55.0916 18.4100 179.8551 55 V 3.5907 7.9882 116.8078 66.2651 31.4037 178.1870 56 E 4.0031 8.2082 117.5258 59.0234 29.4055 178.6655 57 K 4.0761 7.9010 115.7197 55.7264 32.6044 176.4838 58 E 2.0000 7.2316 117.8303 56.7565 27.8134 176.0716 59 D 4.2900 7.2154 118.4624 52.8281 38.4472 175.1606 60 W 4.5810 7.2272 124.0031 58.9805 29.8433 177.2243 61 E 4.0339 8.2558 119.0591 59.5914 29.2360 178.5624 62 N 4.3204 8.3503 115.4564 55.4858 38.5243 177.1404 63 L 4.0344 7.9167 122.5129 58.1663 42.0307 178.9465 64 R 4.0132 7.7614 116.9041 59.6470 30.0797 178.7040 65 D 4.4249 7.5768 116.3878 57.5896 40.8486 178.8558 66 E 4.0962 8.3822 118.9864 59.2373 29.4213 179.3890 67 L 4.1379 8.2348 119.3558 57.6628 41.5591 179.5232 68 L 3.9309 7.8925 119.0253 57.7509 41.5784 179.1638 69 D 4.4988 8.1735 118.8633 57.4670 40.7374 179.0555 70 V 3.6525 7.9690 118.3608 65.9767 31.3291 177.8237 71 A 4.0288 7.9261 119.1469 55.2687 18.3200 179.0219 72 N 3.9272 8.0155 113.8823 56.4749 38.9025 177.5356 73 F 3.8966 8.1828 118.8045 60.0379 38.8287 177.9357 74 C 4.0758 8.2433 114.1451 60.7040 27.6352 175.0928 *76 Y 5.0055 7.8043 120.2387 58.2985 39.6519 177.3832 77 L 4.1511 8.2923 120.9970 57.9044 42.1397 178.6051 78 W 4.2686 8.7718 128.7575 60.4298 30.7095 178.0963 79 G 3.6935 8.5053 105.0505 47.8226 0.0000 175.1938 80 K 4.0193 8.4500 123.0144 59.3067 32.0151 178.7749 81 L 4.0761 7.9580 117.5701 57.3158 41.5791 179.0683 82 S 3.9729 7.3520 114.4618 60.4569 62.7708 176.5623 83 V 3.7435 7.4596 122.5772 66.4084 31.5134 177.0926 84 K 4.1735 7.6473 126.1360 57.3200 31.7021 177.9435 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 D 8.22 4.58 0.00 2.79 2.91 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 0.00 0.00 0.00 3 Y 8.33 3.56 0.00 3.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 4.60 0.00 3.30 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 5 R 8.60 4.12 0.00 1.88 2.00 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 6 L 7.85 3.84 0.00 1.63 1.56 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.12 3.91 1.24 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 0.00 0.00 8 E 8.46 3.93 0.00 2.20 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 2.35 2.56 0.00 9 K 8.10 4.00 0.00 2.03 1.90 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 10 F 8.30 4.29 0.00 2.88 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.93 0.00 1.68 1.87 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.91 4.14 0.00 2.11 1.98 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 13 E 7.94 4.13 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 2.46 2.51 0.00 *15 H 8.23 4.74 0.00 3.21 3.57 0.00 5.87 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 16 A 8.06 4.00 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 17 K 8.42 4.09 0.00 2.01 1.86 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.51 7.81 18 Y 7.66 4.39 0.00 3.37 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 K 8.17 4.20 0.00 2.06 1.88 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.58 7.81 21 R 8.18 3.93 0.00 1.97 2.12 0.00 3.45 0.00 0.00 3.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 22 V 7.66 3.71 1.85 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 0.36 0.00 0.00 0.44 0.00 0.00 23 S 7.31 4.24 0.00 3.98 3.93 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 0.00 0.00 0.00 24 R 7.73 4.04 0.00 2.22 1.91 0.00 3.16 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 25 P 0.00 4.37 0.00 2.04 2.00 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 26 G 8.86 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 0.00 0.00 0.00 27 N 7.54 4.55 0.00 2.94 2.76 0.00 0.00 6.92 6.84 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 28 T 8.26 3.89 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 0.61 0.00 0.00 29 P 0.00 4.44 0.00 2.22 2.09 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 30 R 7.54 2.51 0.00 1.29 0.66 0.00 2.94 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.24 0.00 31 P 0.00 3.23 0.00 2.11 2.16 0.00 2.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.77 0.00 32 W 7.43 4.39 0.00 3.54 3.42 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 0.00 33 F 6.99 4.66 0.00 2.68 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 34 D 7.82 4.24 0.00 2.14 2.38 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 35 F 6.96 5.14 0.00 3.23 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 36 S 8.40 4.45 0.00 4.21 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 37 E 8.80 4.05 0.00 2.11 2.11 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 2.44 2.54 0.00 38 E 8.12 3.97 0.00 2.05 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 2.39 2.42 0.00 39 R 8.14 3.81 0.00 1.83 1.97 0.00 2.97 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.07 0.00 40 L 8.47 4.34 0.00 2.11 2.00 1.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.41 4.18 0.00 1.99 1.76 0.97 0.96 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 42 S 8.34 4.08 0.00 3.92 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 43 R 8.51 3.78 0.00 2.07 1.47 0.00 3.37 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 44 L 8.07 4.00 0.00 1.93 2.09 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.47 4.04 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.21 0.00 2.14 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 2.32 2.51 0.00 47 E 8.03 4.22 0.00 2.06 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 2.14 2.14 0.00 *49 D 8.10 4.60 0.00 2.93 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 50 E 8.30 3.96 0.00 2.26 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 0.00 2.32 2.47 0.00 51 L 8.06 3.96 0.00 1.85 1.67 0.96 0.77 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 52 R 8.01 3.94 0.00 2.06 1.98 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 53 E 8.37 4.07 0.00 2.17 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 2.32 2.48 0.00 54 A 8.04 3.91 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 55 V 7.99 3.59 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 1.19 0.00 0.00 1.13 0.00 0.00 56 E 8.21 4.00 0.00 2.09 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 2.35 2.46 0.00 57 K 7.90 4.08 0.00 1.58 1.70 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81 58 E 7.23 2.00 0.00 1.68 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 2.15 2.06 0.00 59 D 7.22 4.29 0.00 2.48 2.38 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 60 W 7.23 4.58 0.00 3.42 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 61 E 8.26 4.03 0.00 2.08 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 2.41 2.45 0.00 62 N 8.35 4.32 0.00 3.08 2.85 0.00 0.00 6.72 6.04 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 63 L 7.92 4.03 0.00 2.12 2.09 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.76 4.01 0.00 2.00 2.05 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 65 D 7.58 4.42 0.00 2.94 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 66 E 8.38 4.10 0.00 2.19 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 2.50 2.51 0.00 67 L 8.23 4.14 0.00 2.01 1.87 0.98 0.51 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 68 L 7.89 3.93 0.00 1.83 1.65 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.17 4.50 0.00 2.95 2.96 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 70 V 7.97 3.65 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 1.13 0.00 0.00 1.00 0.00 0.00 71 A 7.93 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.02 3.93 0.00 2.77 2.12 0.00 0.00 7.13 8.31 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 73 F 8.18 3.90 0.00 3.28 3.27 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 74 C 8.24 4.08 0.00 3.16 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 *76 Y 7.80 5.01 0.00 3.09 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 77 L 8.29 4.15 0.00 2.03 1.88 1.07 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 78 W 8.77 4.27 0.00 3.56 3.25 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 79 G 8.51 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.02 0.00 2.13 2.09 0.00 1.63 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.71 7.81 81 L 7.96 4.08 0.00 1.65 1.63 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.35 3.97 0.00 3.24 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 83 V 7.46 3.74 2.11 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 0.83 0.00 0.00 0.99 0.00 0.00 84 K 7.65 4.17 0.00 1.93 1.60 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.