NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2974 8.4444 121.4703 56.0347 30.7567 174.7541 3 S 4.4131 8.4092 119.8441 54.8545 65.5279 171.0164 4 N 4.8321 9.5756 124.3748 50.8025 41.1993 173.9385 5 L 3.9273 8.6734 118.3387 59.1265 41.8110 179.2670 6 T 4.1261 7.8318 115.2340 66.4190 68.5489 176.9261 7 T 3.8531 7.8867 111.2301 64.6578 68.8766 176.2417 8 A 3.8959 7.9587 123.4711 54.8850 18.4831 179.4665 9 A 3.9806 8.5096 119.5407 55.4101 18.3237 180.0658 10 S 4.1214 8.1760 113.7462 61.8699 62.9389 177.3683 11 V 3.6096 7.7991 115.1294 64.2701 31.2165 178.7197 12 I 3.6814 7.7618 119.3343 64.2921 36.8826 178.2172 13 A 3.9669 8.4562 121.7747 55.2095 18.0830 179.4565 14 A 3.9107 8.2436 119.0890 55.3337 18.3579 179.7977 15 A 3.9669 7.8940 118.7623 55.2551 18.4609 179.9151 16 L 3.9618 8.2512 117.5025 57.5633 41.6477 179.4836 17 A 4.0008 8.2820 121.1399 55.5103 18.1784 180.1760 18 V 3.7806 7.4199 109.5657 64.1153 31.8557 178.9858 19 G 3.7236 8.4473 105.8993 48.1074 0.0000 176.0108 20 I 3.8973 8.0381 123.3973 63.5067 36.9305 178.3904 21 G 3.8346 7.8933 104.6058 46.2318 0.0000 174.6148 22 S 4.7012 7.6188 117.1309 57.9892 63.6936 176.2813 23 I 3.7966 7.8121 124.8473 64.5383 36.9981 178.3578 24 G 3.5514 7.9383 105.8352 47.5227 0.0000 173.8010 25 P 4.4598 0.0000 0.0000 64.9242 31.4874 179.0332 26 G 3.5707 8.2437 104.6392 47.7160 0.0000 175.7829 27 L 4.1111 8.0128 121.8856 57.4419 41.6971 179.7830 28 G 3.6842 8.6126 105.9340 48.0633 0.0000 175.6713 29 Q 4.1572 8.5196 120.9638 58.5814 28.6819 179.2236 30 G 3.5570 8.0162 106.4222 47.7192 0.0000 175.5506 31 Q 3.9530 8.1740 121.8861 58.9026 29.1059 178.3495 32 A 3.9897 8.1569 121.5366 55.0437 18.5072 179.4915 33 A 4.0690 8.3848 119.7951 55.2403 18.5141 180.1456 34 G 3.5686 8.2741 104.3359 48.0586 0.0000 176.0384 35 Q 4.0668 8.1525 119.8026 58.2593 28.6242 178.5802 36 A 3.9614 7.9398 122.0661 55.4437 18.5256 180.2103 37 V 3.6091 7.9138 110.8332 64.2175 31.5500 178.5112 38 E 4.0466 8.2469 119.4470 59.1393 29.4454 179.1104 39 G 3.6092 8.3058 106.1194 47.8883 0.0000 175.8228 40 I 3.7531 7.9871 122.1014 63.9563 36.8412 178.3881 41 A 4.0336 7.9435 121.0654 55.1150 18.2610 179.3824 42 R 4.1684 7.7628 116.4477 58.4065 31.5342 176.9977 43 Q 4.5305 8.1736 117.6100 53.3607 30.1012 173.4602 44 P 4.4078 0.0000 0.0000 64.4125 32.0333 178.5535 45 E 3.9058 8.2393 117.7835 58.5728 29.7596 177.4074 46 A 4.5023 8.1887 119.8573 51.9491 18.7911 178.0494 47 E 3.9572 8.1175 121.9459 60.1449 29.5765 179.5098 48 G 3.5831 8.0058 105.0161 47.6244 0.0000 175.7889 49 K 4.0247 7.9519 120.3661 59.1847 32.0878 179.4115 50 I 3.6576 8.0810 120.4458 64.4283 37.0822 178.3708 51 R 3.9733 8.3486 120.0102 59.4557 29.8543 178.7926 52 G 3.5953 8.1071 105.4528 48.1773 0.0000 175.9414 53 T 3.9580 7.9437 118.3567 66.0074 68.4240 176.6532 54 L 3.9318 8.2014 122.6631 58.0307 42.1020 178.8824 55 L 3.9140 8.0666 120.2037 58.0222 41.9490 178.2736 56 L 4.0089 7.8431 120.3698 58.7061 42.0412 179.3270 57 S 4.2138 8.0091 114.6175 61.7087 62.5691 176.7537 58 L 4.0653 8.3029 120.7755 57.5447 41.3565 179.1686 59 A 4.1128 7.9022 120.2714 55.1472 18.4075 179.2875 60 F 4.0948 7.9438 115.2495 60.7421 39.1689 177.8729 61 M 4.3120 8.0548 117.1534 55.6880 32.1214 178.3072 *63 A 3.9565 8.0505 124.0878 52.0825 20.8969 179.9085 64 L 3.7087 7.3882 115.6649 58.3613 41.2643 179.9358 65 T 3.9791 7.6748 114.9420 66.3859 68.4949 176.8875 66 I 3.7618 7.4054 121.4862 64.3814 37.0907 177.7087 67 Y 4.5468 7.6329 117.8919 61.0631 37.6501 178.9017 68 G 3.6845 7.7537 106.1061 47.8336 0.0000 175.2560 69 L 3.9674 8.1532 123.6933 57.8060 41.9799 179.2561 70 V 3.6038 8.3670 118.3735 66.1353 31.6298 178.1726 71 V 3.5822 7.9885 117.7337 65.9351 31.1906 177.8346 72 A 4.0336 8.2207 120.7501 55.0745 18.1672 179.6563 73 L 4.1575 8.2305 117.8489 57.9944 41.8065 180.0549 74 V 3.7339 8.1080 112.6245 64.2856 31.2325 178.3652 75 L 4.1064 7.7182 119.0328 57.6609 41.9151 178.3401 76 L 4.0852 7.3374 117.5815 55.6323 42.1668 177.3248 77 F 4.8964 8.4388 114.2036 57.1574 41.1290 175.0730 78 A 4.7240 8.3096 124.1547 50.7938 19.0424 176.2643 79 N 4.3440 8.1325 119.9145 53.7482 39.7277 172.9828 80 P 4.1939 0.0000 0.0000 64.4023 31.9584 176.7725 81 F 4.9873 7.7151 116.0061 58.4009 41.0141 175.6447 82 V 4.0882 7.5827 116.6286 61.5429 32.4237 175.1775 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 4.30 0.00 1.95 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 2.19 2.31 0.00 3 S 8.41 4.41 0.00 3.88 3.65 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 0.00 0.00 0.00 0.00 4 N 9.58 4.83 0.00 2.82 2.89 0.00 0.00 6.22 7.30 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 5 L 8.67 3.93 0.00 1.72 1.70 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.83 4.13 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 1.32 0.00 0.00 7 T 7.89 3.85 4.24 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 1.22 0.00 0.00 8 A 7.96 3.90 1.42 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 0.00 0.00 9 A 8.51 3.98 1.38 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 0.00 0.00 10 S 8.18 4.12 0.00 4.05 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 11 V 7.80 3.61 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 0.90 0.00 0.00 0.98 0.00 0.00 12 I 7.76 3.68 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.91 0.00 0.00 13 A 8.46 3.97 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 A 8.24 3.91 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 15 A 7.89 3.97 1.38 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 0.00 0.00 16 L 8.25 3.96 0.00 1.83 1.74 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.28 4.00 1.42 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 0.00 0.00 18 V 7.42 3.78 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 0.80 0.00 0.00 1.07 0.00 0.00 19 G 8.45 3.72 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 0.00 0.00 0.00 20 I 8.04 3.90 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.55 0.92 0.00 0.00 21 G 7.89 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 22 S 7.62 4.70 0.00 4.01 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 0.00 23 I 7.81 3.80 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.92 0.00 0.00 24 G 7.94 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.16 2.30 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 26 G 8.24 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.11 0.00 1.86 1.73 0.92 0.91 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 28 G 8.61 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 0.00 0.00 0.00 29 Q 8.52 4.16 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 30 G 8.02 3.56 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 0.00 0.00 0.00 31 Q 8.17 3.95 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 32 A 8.16 3.99 1.38 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 0.00 0.00 33 A 8.38 4.07 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 34 G 8.27 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.07 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 36 A 7.94 3.96 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 37 V 7.91 3.61 2.08 0.00 0.00 0.00 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 1.00 0.00 0.00 38 E 8.25 4.05 0.00 2.12 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 0.00 2.30 2.32 0.00 39 G 8.31 3.61 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 0.00 0.00 0.00 40 I 7.99 3.75 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.91 0.00 0.00 41 A 7.94 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 42 R 7.76 4.17 0.00 1.84 2.13 0.00 3.22 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 43 Q 8.17 4.53 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 44 P 0.00 4.41 0.00 2.17 2.10 0.00 3.88 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 45 E 8.24 3.91 0.00 1.92 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 2.29 2.31 0.00 46 A 8.19 4.50 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 E 8.12 3.96 0.00 2.15 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 2.31 2.49 0.00 48 G 8.01 3.58 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 0.00 0.00 0.00 49 K 7.95 4.02 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 50 I 8.08 3.66 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.91 0.00 0.00 51 R 8.35 3.97 0.00 2.07 1.93 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 G 8.11 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 3.96 4.24 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 1.20 0.00 0.00 54 L 8.20 3.93 0.00 1.92 1.87 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.07 3.91 0.00 2.01 1.66 0.93 0.42 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 56 L 7.84 4.01 0.00 1.88 1.96 1.11 1.03 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 57 S 8.01 4.21 0.00 4.15 3.91 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 58 L 8.30 4.07 0.00 1.73 1.74 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.90 4.11 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 60 F 7.94 4.09 0.00 3.12 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 M 8.05 4.31 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 *63 A 8.05 3.96 1.07 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 64 L 7.39 3.71 0.00 1.72 1.74 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.67 3.98 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 1.23 0.00 0.00 66 I 7.41 3.76 1.78 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 1.59 0.44 0.89 0.00 0.00 67 Y 7.63 4.55 0.00 3.15 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 68 G 7.75 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 0.00 0.00 0.00 69 L 8.15 3.97 0.00 1.76 1.91 0.96 0.89 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 70 V 8.37 3.60 2.34 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 1.05 0.00 0.00 1.06 0.00 0.00 71 V 7.99 3.58 2.23 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 0.98 0.00 0.00 0.96 0.00 0.00 72 A 8.22 4.03 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 0.00 0.00 73 L 8.23 4.16 0.00 2.05 1.87 1.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.11 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 0.80 0.00 0.00 0.90 0.00 0.00 75 L 7.72 4.11 0.00 1.97 1.66 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.34 4.09 0.00 1.37 0.51 0.78 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.44 4.90 0.00 3.09 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 78 A 8.31 4.72 1.20 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 79 N 8.13 4.34 0.00 2.74 2.70 0.00 0.00 7.29 7.69 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 80 P 0.00 4.19 0.00 1.03 1.72 0.00 3.48 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.43 0.00 81 F 7.72 4.99 0.00 3.07 3.04 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 0.00 0.00 0.00 82 V 7.58 4.09 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 0.81 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.