NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3044 0.0000 0.0000 61.7347 32.6387 174.9065 3 K 3.6545 8.6348 116.8720 55.8285 32.1440 175.0995 4 K 4.1250 9.4948 127.0605 56.6459 34.3657 175.3492 5 V 4.9275 8.3394 125.7852 61.2405 34.0945 174.2596 6 L 5.0024 9.0157 127.2800 52.9743 45.9459 175.3717 7 T 4.9095 8.2576 109.2785 60.4816 71.2963 173.4277 8 G 4.1312 8.7227 112.6527 45.2908 0.0000 170.6835 9 V 4.6580 8.2493 119.3605 61.5974 33.5578 176.1575 10 V 4.3412 9.0544 128.4643 62.1270 31.2424 175.4948 11 V 4.5470 8.0389 119.4567 59.9595 32.2766 176.1201 12 S 4.9493 7.5589 117.2674 58.8097 64.6005 177.5281 13 D 5.1907 7.7863 120.4638 53.5525 41.4347 176.7950 14 K 3.9214 7.5725 119.7803 59.0066 32.3902 176.5410 15 M 4.5884 7.4965 118.0807 53.2998 33.7916 175.8199 16 Q 4.0824 8.5004 120.3851 57.1767 29.4168 176.3840 17 K 4.5885 8.9464 120.6602 56.4025 30.3157 174.3803 18 T 5.2422 7.5529 111.9659 62.2607 73.3381 173.4730 19 V 4.8667 8.9322 117.0818 60.0079 36.5743 174.7490 20 T 4.6855 8.8861 121.8036 62.6039 69.9691 173.8686 21 V 4.7676 9.3331 127.9206 60.8694 34.6265 173.8072 22 L 4.6662 8.9047 130.4041 53.5568 44.0323 174.9269 23 V 4.6163 8.2427 126.7591 61.0582 33.4601 174.6631 24 E 4.5057 8.7882 127.7957 56.4782 30.5666 176.4704 25 R 4.7829 8.9928 123.2318 55.0353 33.8339 173.6807 26 Q 4.9977 8.6772 123.5804 54.6166 32.0630 173.9221 27 F 4.9862 7.7219 114.4582 55.3984 42.1407 170.9839 28 P 5.0250 0.0000 0.0000 62.3420 32.2508 176.0101 29 H 4.6547 9.7903 125.6807 54.3072 30.6802 174.9741 30 P 4.3311 0.0000 0.0000 61.2754 30.3407 176.6181 31 L 5.0755 6.8773 130.4841 56.9490 43.0154 172.9866 32 Y 5.0247 7.4224 116.8110 57.7779 39.0113 178.5557 33 G 3.8619 8.8446 107.9853 48.1539 0.0000 174.0444 34 K 4.2360 9.2366 120.6646 53.6075 34.3678 174.6883 35 V 4.7074 8.2756 125.3311 61.8876 32.8863 175.1288 36 I 4.6103 8.5857 120.9301 58.9266 40.8255 174.7359 37 K 4.4864 8.5166 124.6508 56.3625 33.2247 176.4749 38 R 4.6437 9.3072 124.3365 55.2298 33.8546 174.4829 39 S 5.6746 8.1806 120.7563 56.2937 66.3949 172.8470 40 K 3.9908 7.7692 114.9894 55.7900 35.0508 173.6139 41 K 4.6822 8.5431 127.3613 55.7575 33.3246 175.7342 42 Y 4.6967 9.0232 121.6051 56.1298 41.9228 174.9427 43 L 4.8635 8.6123 122.3302 53.2784 42.6111 176.1977 44 A 4.6210 9.4915 127.5241 51.7717 20.4331 175.6691 45 H 4.8374 9.2531 120.8881 55.2045 31.2220 173.5487 46 D 5.1296 8.6921 127.8086 51.4273 40.3520 174.4200 47 P 4.2396 0.0000 0.0000 64.9228 31.8791 177.9844 48 E 4.2043 8.1673 115.9582 56.1790 30.0090 176.6612 49 E 3.8100 7.5435 117.2385 57.7922 26.4038 175.1022 50 K 4.3929 8.0948 116.9387 56.2720 35.1147 176.2481 51 Y 4.5247 8.6630 119.4161 56.2824 38.4946 175.4909 52 K 4.7438 8.3433 124.3921 54.4527 35.3174 175.0690 53 L 4.2361 8.1502 120.5063 56.7092 42.1883 177.1922 54 G 4.0405 9.1759 113.8459 45.1444 0.0000 173.1022 55 D 4.5362 7.6718 119.4826 54.3716 42.3422 175.6055 56 V 4.6638 8.4094 122.5784 61.7518 33.1874 175.0504 57 V 4.9754 8.8091 120.7234 59.8636 36.6832 173.9616 58 E 5.0354 8.5266 119.9893 54.9400 31.9523 175.5440 59 I 4.8096 8.9932 124.9181 59.4435 40.3348 174.2515 60 I 4.8178 8.4990 126.8777 58.6560 40.5800 173.2934 61 E 2.9668 9.2684 131.1102 57.1090 29.8518 175.9413 62 S 4.7127 7.9335 123.4086 56.0403 66.2240 174.0532 63 R 3.8901 8.3450 120.9650 55.3244 30.2855 173.8645 64 P 4.0973 0.0000 0.0000 63.4418 31.4115 175.9034 65 I 4.0296 8.1743 124.5305 62.3335 37.8591 175.4964 66 S 4.4952 7.2293 112.0758 57.5889 65.0173 175.7637 67 K 4.0191 7.9631 120.9883 57.0206 32.3188 176.3373 68 R 3.7694 8.7210 119.3517 56.9246 29.1488 176.2703 69 K 4.6665 8.1969 116.8436 55.8363 33.0534 175.3435 70 R 4.7961 8.7213 123.3114 55.3721 32.2810 174.7518 71 F 5.2691 8.3335 116.9809 55.8187 43.4038 173.8485 72 R 4.9529 8.6215 121.0007 54.1410 32.6834 175.9303 73 V 3.5981 7.8922 123.7558 63.4663 31.5633 175.2721 74 L 4.3996 9.1238 131.8322 55.6808 42.3215 176.4623 75 R 5.3398 7.1779 111.9961 55.7530 31.9116 172.9252 76 L 4.4692 9.1125 123.3415 54.9558 42.9021 176.9368 77 V 4.5497 8.4603 123.5130 60.7217 30.7689 175.1305 78 E 4.0397 8.4959 119.4444 57.1284 29.7045 175.4691 79 S 4.7331 8.3779 117.4666 56.6470 64.3174 171.5210 80 G 3.9031 8.6519 115.3496 46.1426 0.0000 174.7963 81 R 4.6784 8.3504 129.5837 52.9764 31.9387 177.8862 82 M 3.9197 8.6389 120.3701 58.9176 31.5761 177.4865 83 D 5.0409 8.1740 119.7833 56.2382 39.1308 179.0264 84 L 4.1475 8.3219 120.1497 57.1733 41.6105 179.1417 85 V 3.6815 7.8436 117.6815 66.6780 31.4912 177.5737 86 E 3.7878 8.9644 118.1338 59.7355 29.3390 179.3708 87 K 3.7457 7.9418 116.4813 60.3618 32.4389 178.3318 88 Y 4.1273 8.1838 118.7295 60.9874 38.6985 178.5044 89 L 3.4321 9.2397 120.8790 57.7435 42.0574 179.0682 90 I 3.5574 8.8063 120.5918 64.4706 36.9204 178.4500 91 R 3.5426 7.3795 117.7787 59.1690 30.1647 178.1800 92 R 3.7529 6.9318 116.9192 59.6513 29.9636 178.0994 93 Q 4.6363 7.1785 118.1963 58.7841 28.5104 179.0088 94 N 4.3288 7.9819 116.4990 55.9479 38.4097 176.9460 95 Y 4.3993 8.0052 119.2504 60.9402 37.9650 177.4757 96 E 4.1287 8.5419 119.3320 58.2577 29.3322 178.2617 97 S 4.7867 7.5126 112.3082 58.2042 63.6042 174.3553 98 L 4.3801 8.3276 123.4740 56.5587 42.5313 177.0928 99 S 4.5884 7.8587 111.5747 58.1015 65.3570 174.8111 100 K 4.2414 8.3926 122.0639 57.3465 31.9798 177.4841 *101 R 4.1415 9.1372 127.0383 57.2635 30.0213 176.3457 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 4.30 0.00 2.18 2.16 0.00 3.77 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 K 8.63 3.65 0.00 1.81 1.81 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 4 K 9.49 4.12 0.00 1.89 1.82 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.49 7.81 5 V 8.34 4.93 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 0.94 0.00 0.00 0.96 0.00 0.00 6 L 9.02 5.00 0.00 1.43 1.43 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.26 4.91 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 1.23 0.00 0.00 8 G 8.72 4.13 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 0.00 0.00 0.00 9 V 8.25 4.66 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 0.93 0.00 0.00 0.93 0.00 0.00 10 V 9.05 4.34 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 1.04 0.00 0.00 0.98 0.00 0.00 11 V 8.04 4.55 2.30 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 0.69 0.00 0.00 0.74 0.00 0.00 12 S 7.56 4.95 0.00 3.93 3.73 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 13 D 7.79 5.19 0.00 2.92 2.84 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 0.00 14 K 7.57 3.92 0.00 1.91 1.96 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 15 M 7.50 4.59 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 16 Q 8.50 4.08 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 17 K 8.95 4.59 0.00 1.99 1.92 0.00 1.95 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.42 7.81 18 T 7.55 5.24 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 1.35 0.00 0.00 19 V 8.93 4.87 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 0.88 0.00 0.00 0.95 0.00 0.00 20 T 8.89 4.69 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 1.17 0.00 0.00 21 V 9.33 4.77 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 0.85 0.00 0.00 0.88 0.00 0.00 22 L 8.90 4.67 0.00 1.42 1.36 0.65 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.24 4.62 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 1.01 0.00 0.00 1.00 0.00 0.00 24 E 8.79 4.51 0.00 1.89 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 0.00 2.30 2.30 0.00 25 R 8.99 4.78 0.00 1.89 1.96 0.00 3.16 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 26 Q 8.68 5.00 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.50 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 27 F 7.72 4.99 0.00 3.11 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 28 P 0.00 5.02 0.00 2.04 2.10 0.00 3.82 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 2.08 2.16 0.00 29 H 9.79 4.65 0.00 3.35 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.33 0.00 2.07 1.99 0.00 3.72 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 1.70 1.71 0.00 31 L 6.88 5.08 0.00 1.34 1.17 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.42 5.02 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.84 3.86 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 0.00 0.00 0.00 34 K 9.24 4.24 0.00 2.04 1.77 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.47 7.81 35 V 8.28 4.71 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 0.89 0.00 0.00 0.95 0.00 0.00 36 I 8.59 4.61 1.76 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 -0.26 0.94 0.00 0.00 37 K 8.52 4.49 0.00 1.59 1.71 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.69 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.36 7.81 38 R 9.31 4.64 0.00 1.76 1.77 0.00 3.34 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 39 S 8.18 5.67 0.00 3.84 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 40 K 7.77 3.99 0.00 1.67 1.47 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.69 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.91 7.81 41 K 8.54 4.68 0.00 1.49 1.54 0.00 1.39 0.00 0.00 1.18 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.09 1.26 7.81 42 Y 9.02 4.70 0.00 2.57 2.43 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 43 L 8.61 4.86 0.00 1.76 1.68 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.49 4.62 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 45 H 9.25 4.84 0.00 3.25 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.69 5.13 0.00 2.76 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 47 P 0.00 4.24 0.00 2.22 2.14 0.00 3.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 48 E 8.17 4.20 0.00 2.03 2.02 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 2.29 2.34 0.00 49 E 7.54 3.81 0.00 2.04 2.13 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 2.27 2.30 0.00 50 K 8.09 4.39 0.00 1.58 1.87 0.00 1.22 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 0.57 7.81 51 Y 8.66 4.52 0.00 3.19 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.34 4.74 0.00 1.91 1.97 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.35 7.81 53 L 8.15 4.24 0.00 1.66 1.64 0.96 1.10 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 54 G 9.18 4.04 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 0.00 0.00 0.00 55 D 7.67 4.54 0.00 2.94 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 56 V 8.41 4.66 2.40 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 1.07 0.00 0.00 0.95 0.00 0.00 57 V 8.81 4.98 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 0.85 0.00 0.00 0.80 0.00 0.00 58 E 8.53 5.04 0.00 1.88 1.81 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 2.23 2.26 0.00 59 I 8.99 4.81 1.66 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 0.99 0.92 0.75 0.00 0.00 60 I 8.50 4.82 1.87 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 1.07 1.47 0.96 0.00 0.00 61 E 9.27 2.97 0.00 1.82 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 0.00 2.01 1.84 0.00 62 S 7.93 4.71 0.00 3.63 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 63 R 8.35 3.89 0.00 1.71 1.78 0.00 3.24 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 64 P 0.00 4.10 0.00 2.04 2.03 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 65 I 8.17 4.03 1.96 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 1.41 0.70 0.77 0.00 0.00 66 S 7.23 4.50 0.00 3.93 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 67 K 7.96 4.02 0.00 1.82 1.73 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.44 7.81 68 R 8.72 3.77 0.00 1.93 1.98 0.00 3.31 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 69 K 8.20 4.67 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.71 7.81 70 R 8.72 4.80 0.00 1.85 1.57 0.00 3.20 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 71 F 8.33 5.27 0.00 2.84 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 72 R 8.62 4.95 0.00 1.76 1.82 0.00 3.16 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 73 V 7.89 3.60 1.70 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 -0.64 0.00 0.00 0.77 0.00 0.00 74 L 9.12 4.40 0.00 1.69 1.64 0.97 0.96 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 75 R 7.18 5.34 0.00 1.96 2.03 0.00 3.22 0.00 0.00 3.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 76 L 9.11 4.47 0.00 1.84 1.68 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.46 4.55 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 0.87 0.00 0.00 1.02 0.00 0.00 78 E 8.50 4.04 0.00 2.26 2.53 0.00 0.00 0.00 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 2.24 0.00 79 S 8.38 4.73 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 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 81 R 8.35 4.68 0.00 2.08 1.96 0.00 3.54 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 82 M 8.64 3.92 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 83 D 8.17 5.04 0.00 2.86 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 84 L 8.32 4.15 0.00 1.72 1.77 0.93 0.89 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 85 V 7.84 3.68 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 1.16 0.00 0.00 0.99 0.00 0.00 86 E 8.96 3.79 0.00 2.18 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 2.33 2.56 0.00 87 K 7.94 3.75 0.00 1.99 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.79 1.64 7.81 88 Y 8.18 4.13 0.00 3.13 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 89 L 9.24 3.43 0.00 1.77 1.69 0.91 0.95 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 90 I 8.81 3.56 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.83 0.81 0.00 0.00 91 R 7.38 3.54 0.00 1.67 1.57 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 92 R 6.93 3.75 0.00 1.76 1.87 0.00 3.02 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 93 Q 7.18 4.64 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 94 N 7.98 4.33 0.00 2.69 2.75 0.00 0.00 7.12 7.02 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 95 Y 8.01 4.40 0.00 3.11 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 96 E 8.54 4.13 0.00 2.09 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 2.36 2.42 0.00 97 S 7.51 4.79 0.00 4.01 3.94 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 0.00 0.00 0.00 98 L 8.33 4.38 0.00 1.83 1.80 1.11 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.86 4.59 0.00 3.98 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 0.00 100 K 8.39 4.24 0.00 1.72 1.08 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.39 7.81 *101 R 9.14 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.