NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3572 0.0000 0.0000 62.6091 31.5506 175.3103 3 R 4.4093 7.8979 125.3192 54.5353 32.6988 173.3596 4 S 4.6770 8.6167 114.0603 57.0832 66.5253 172.1176 5 L 4.4298 8.2225 129.6308 55.3566 45.9489 174.3871 6 K 4.1715 8.4357 119.1999 55.2267 28.3050 177.1367 7 K 4.1784 8.9365 125.0192 60.1693 34.3121 175.6874 8 G 3.0343 9.1672 117.1853 45.7816 0.0000 173.2171 9 V 3.6221 7.3561 119.8405 61.6001 32.2715 175.7809 10 F 4.2723 9.1726 127.1673 57.5324 39.8490 174.6474 11 V 4.7946 8.1874 122.9021 61.1556 34.9228 174.2667 12 D 4.5216 8.7742 127.7674 53.9066 41.3462 177.0301 13 D 4.5249 8.6410 124.1003 55.3869 37.9114 177.8495 14 H 4.1566 7.9721 118.7751 58.9029 28.2707 176.3271 15 L 4.6841 7.8320 119.3666 56.7814 41.5311 177.8084 16 L 4.1066 7.7716 121.6263 58.0700 41.7935 178.8126 17 E 4.0697 8.0199 116.8524 58.9750 29.9249 178.6618 18 K 4.2264 7.3158 118.7668 58.3618 32.0595 178.6653 19 V 3.8183 8.9813 120.4897 64.2947 31.7778 178.3623 20 L 4.0025 7.5854 121.0013 58.5679 39.3192 178.9624 21 E 3.7835 8.7346 119.9985 58.7690 29.1120 178.4050 22 L 4.1879 7.2631 116.0236 55.2117 41.8070 177.5493 23 N 4.6744 8.5645 118.0471 55.0517 39.4283 175.9961 24 A 4.2516 8.0256 121.6681 55.2061 19.7260 177.9743 25 K 4.9043 7.0575 118.0361 56.2862 31.5018 180.0271 26 G 4.1981 8.3825 115.9958 46.3974 0.0000 176.6177 27 E 4.5423 8.5567 119.4322 53.5459 30.2366 172.2992 28 K 4.0279 8.6564 121.1086 56.7231 32.9510 177.5990 29 R 3.0840 8.2738 119.5295 54.7876 31.2991 178.1710 30 L 4.5110 8.7901 110.5349 54.5333 43.7242 177.9905 31 I 4.3971 7.9611 121.2694 59.8467 40.7657 174.4427 32 K 4.2286 8.5762 127.7099 56.4734 32.1203 177.0089 33 T 4.8804 8.4165 120.7658 61.7921 73.0503 174.6507 34 W 4.5128 9.1622 121.4608 56.4323 30.6215 176.1716 35 S 4.6489 8.0386 113.9489 57.0607 60.6210 173.5562 36 R 4.2201 8.5682 127.5521 58.7476 30.4022 179.3839 37 R 3.9342 8.2283 113.1621 59.0553 29.2398 176.7156 38 S 4.2368 7.5277 112.2309 58.8652 63.1027 174.9779 39 T 4.1447 8.4867 122.5221 63.4761 68.9748 174.3686 40 I 4.1002 8.3078 127.1980 61.1559 37.7142 176.0434 41 V 4.5253 7.8885 118.9491 59.1153 35.2951 174.5559 42 P 4.2114 0.0000 0.0000 65.8950 31.3437 178.3562 43 E 4.1269 8.2145 111.1805 57.7821 29.3424 176.9741 44 M 4.6354 8.3140 120.4292 55.9164 34.1402 176.3279 45 V 3.7335 7.5642 117.3436 64.6694 31.8582 175.3815 46 G 4.1577 8.3991 114.2350 45.8578 0.0000 173.3806 47 H 4.7229 8.2937 117.0550 55.8123 30.8771 175.1345 48 T 4.7709 8.3132 114.4875 62.1794 70.4535 171.7234 49 I 4.2318 8.0445 125.6341 59.9723 39.3417 174.5081 50 A 4.7596 8.9566 130.6586 51.0730 19.3143 176.1181 51 V 4.2287 8.7114 123.1473 62.8779 33.3291 174.3553 52 Y 5.6222 8.2685 128.9680 56.3989 39.0551 174.8574 53 N 4.5191 8.3338 122.9135 52.0620 38.2594 174.9051 54 G 3.6998 6.0928 106.8573 45.4739 0.0000 174.7693 55 K 4.4024 7.9228 118.3523 56.4316 34.3161 175.2589 56 Q 4.7449 7.3246 115.3506 54.9233 33.9740 173.2394 57 H 5.1506 8.8042 117.5156 54.6445 30.1769 174.9111 58 V 4.4058 9.2643 119.3426 58.6633 33.6014 173.7083 59 P 4.5035 0.0000 0.0000 63.2098 31.7628 176.0707 60 V 4.2667 8.3803 126.0031 60.8373 33.0503 174.5925 61 Y 4.4050 8.5947 130.5806 57.1998 39.3707 175.0880 62 I 3.6807 7.9666 128.6504 60.4498 38.5152 175.7761 63 T 4.2405 7.6223 120.8735 60.2163 70.8013 175.1487 64 E 3.8922 8.5438 120.8203 59.5412 29.4131 178.2640 65 N 4.4478 8.0450 115.0915 55.6446 37.6680 176.1078 66 M 4.3623 8.1328 119.7045 57.9898 31.8477 178.7392 67 V 2.7021 7.8898 111.5477 64.0168 32.9828 176.4099 68 G 3.9033 8.6051 112.3174 48.9394 0.0000 173.7989 69 H 4.6313 7.8267 115.9390 55.5830 29.4648 175.2353 70 K 4.6637 8.7599 121.4806 55.7285 33.2272 178.6952 71 L 4.3207 8.4614 120.2003 58.2219 41.5204 180.0849 72 G 3.8491 8.3662 105.0983 48.0198 0.0000 174.7874 73 E 4.0250 7.8150 117.5004 57.8810 29.4457 177.4265 74 F 4.5748 8.3255 116.1184 56.9903 40.1634 175.8691 75 A 4.6358 7.8093 124.0281 48.6431 18.6732 173.1734 76 P 4.3352 0.0000 0.0000 62.7783 32.1344 178.0025 77 T 3.9642 8.4852 111.8808 63.7308 69.2701 174.8909 78 R 4.5576 7.6476 119.3677 54.6847 32.2376 175.1826 79 T 4.6424 8.2349 115.2436 61.9611 71.1193 173.2527 80 Y 4.6685 7.9304 126.1483 55.7837 42.2610 174.8822 81 R 3.0466 5.9317 127.3209 56.3960 29.6263 176.1858 *82 G 3.7389 7.7341 111.4273 45.8818 0.0000 171.1811 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 P 0.00 4.36 0.00 2.19 2.17 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 1.88 1.99 0.00 3 R 7.90 4.41 0.00 1.90 1.90 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 4 S 8.62 4.68 0.00 3.76 3.68 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 5 L 8.22 4.43 0.00 1.72 1.78 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.44 4.17 0.00 1.87 2.03 0.00 1.89 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.28 7.81 7 K 8.94 4.18 0.00 1.85 1.79 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.44 7.81 8 G 9.17 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 0.00 0.00 0.00 9 V 7.36 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 0.84 0.00 0.00 0.93 0.00 0.00 10 F 9.17 4.27 0.00 3.00 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 11 V 8.19 4.79 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 0.82 0.00 0.00 1.08 0.00 0.00 12 D 8.77 4.52 0.00 2.80 2.42 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 13 D 8.64 4.52 0.00 2.90 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 14 H 7.97 4.16 0.00 3.25 3.44 0.00 5.59 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 15 L 7.83 4.68 0.00 1.91 1.93 1.06 0.22 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 16 L 7.77 4.11 0.00 1.90 1.74 0.92 0.88 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 17 E 8.02 4.07 0.00 2.28 2.18 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 2.56 2.32 0.00 18 K 7.32 4.23 0.00 1.91 2.02 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 19 V 8.98 3.82 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 0.87 0.00 0.00 0.91 0.00 0.00 20 L 7.59 4.00 0.00 1.91 1.97 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.73 3.78 0.00 2.02 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 2.34 2.57 0.00 22 L 7.26 4.19 0.00 1.75 1.70 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.56 4.67 0.00 2.91 2.88 0.00 0.00 6.84 7.09 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 24 A 8.03 4.25 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 25 K 7.06 4.90 0.00 1.95 0.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.57 7.81 26 G 8.38 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 27 E 8.56 4.54 0.00 1.92 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 2.22 2.23 0.00 28 K 8.66 4.03 0.00 1.71 1.78 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 R 8.27 3.08 0.00 1.83 1.54 0.00 3.28 0.00 0.00 3.21 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 30 L 8.79 4.51 0.00 1.56 1.56 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.96 4.40 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.90 0.00 0.00 32 K 8.58 4.23 0.00 1.58 1.38 0.00 1.03 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.32 7.81 33 T 8.42 4.88 4.23 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 1.37 0.00 0.00 34 W 9.16 4.51 0.00 3.41 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 35 S 8.04 4.65 0.00 4.02 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 36 R 8.57 4.22 0.00 1.98 2.00 0.00 3.27 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 37 R 8.23 3.93 0.00 1.95 2.13 0.00 3.10 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 38 S 7.53 4.24 0.00 4.02 4.06 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 39 T 8.49 4.14 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 1.30 0.00 0.00 40 I 8.31 4.10 2.20 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.84 0.00 0.00 41 V 7.89 4.53 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 0.75 0.00 0.00 0.93 0.00 0.00 42 P 0.00 4.21 0.00 2.17 2.06 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 43 E 8.21 4.13 0.00 2.09 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 0.00 2.28 2.29 0.00 44 M 8.31 4.64 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 45 V 7.56 3.73 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 0.70 0.00 0.00 0.89 0.00 0.00 46 G 8.40 4.16 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 47 H 8.29 4.72 0.00 3.23 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.31 4.77 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 49 I 8.04 4.23 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.96 0.00 0.00 50 A 8.96 4.76 1.19 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 0.00 0.00 0.00 51 V 8.71 4.23 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 0.94 0.00 0.00 1.02 0.00 0.00 52 Y 8.27 5.62 0.00 2.26 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.52 0.00 2.71 2.80 0.00 0.00 6.37 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 54 G 6.09 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.40 0.00 1.54 1.75 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 56 Q 7.32 4.74 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 57 H 8.80 5.15 0.00 3.01 3.15 0.00 5.68 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 58 V 9.26 4.41 2.10 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 0.76 0.00 0.00 1.00 0.00 0.00 59 P 0.00 4.50 0.00 2.10 2.11 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 60 V 8.38 4.27 2.18 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 0.68 0.00 0.00 1.11 0.00 0.00 61 Y 8.59 4.40 0.00 2.92 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 62 I 7.97 3.68 1.65 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.93 0.94 0.00 0.00 63 T 7.62 4.24 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 0.97 0.00 0.00 64 E 8.54 3.89 0.00 2.05 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 2.35 2.40 0.00 65 N 8.04 4.45 0.00 2.93 2.96 0.00 0.00 6.05 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 66 M 8.13 4.36 0.00 1.72 2.07 0.00 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 67 V 7.89 2.70 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 0.70 0.00 0.00 0.97 0.00 0.00 68 G 8.61 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 0.00 0.00 0.00 69 H 7.83 4.63 0.00 3.71 3.58 0.00 5.61 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 70 K 8.76 4.66 0.00 1.96 1.80 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.68 7.81 71 L 8.46 4.32 0.00 1.98 1.79 1.02 0.95 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 72 G 8.37 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.81 4.02 0.00 1.89 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 74 F 8.33 4.57 0.00 3.09 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 75 A 7.81 4.64 1.23 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 0.00 0.00 76 P 0.00 4.34 0.00 2.16 2.03 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 77 T 8.49 3.96 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 1.18 0.00 0.00 78 R 7.65 4.56 0.00 1.81 1.92 0.00 3.15 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 79 T 8.23 4.64 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 1.21 0.00 0.00 80 Y 7.93 4.67 0.00 2.87 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 81 R 5.93 3.05 0.00 0.67 0.66 0.00 3.28 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 *82 G 7.73 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.