NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 M 4.4207 8.3044 120.3273 55.1388 33.4441 174.2058 25 D 4.3689 8.3832 120.0701 52.4764 42.1656 172.2524 26 E 4.4116 8.4039 127.4405 53.7260 30.8677 173.3305 27 P 4.3832 0.0000 0.0000 62.6701 32.0677 175.1131 28 D 5.0296 8.3501 121.1469 52.2657 43.3439 176.0520 29 L 4.1570 8.5208 124.1721 55.4658 41.9659 177.2127 30 K 4.0511 8.3372 117.1086 57.4609 29.9045 175.6131 31 D 4.4795 7.8540 117.3663 54.0107 41.7156 175.4909 32 L 4.8538 7.6379 120.9358 52.9326 45.6679 175.7589 33 F 4.9934 9.3233 122.0623 55.8222 41.6835 174.3144 34 I 5.2875 8.7326 124.4349 59.6230 40.0936 175.0669 35 T 4.6436 9.0384 116.3178 59.7932 72.1735 173.1974 36 V 4.8990 8.0316 122.3947 61.7518 34.2376 173.8568 37 D 4.4641 9.3252 127.7066 53.5169 42.5643 173.6231 38 E 3.6668 8.6777 114.4702 56.7622 27.6536 173.5316 39 P 4.4247 0.0000 0.0000 63.2733 32.5320 177.3629 40 E 4.7730 8.9153 121.3312 54.4977 34.3691 174.5029 41 S 4.6411 8.4460 117.1257 57.8412 64.5679 172.7849 42 H 4.4546 9.0288 125.8893 54.4899 31.0592 173.8395 43 V 4.4195 8.2939 127.5505 61.6506 32.2784 175.3402 44 T 4.4844 8.5974 119.6028 60.0518 70.6399 176.1066 45 T 4.0024 8.5078 117.9313 65.8594 68.3648 175.3360 46 I 4.4344 7.0238 111.6048 59.9916 38.6092 174.7895 47 E 4.8368 7.4671 118.2856 55.9666 32.9518 174.0469 48 T 5.2159 8.7573 120.8696 61.7867 71.3438 173.2567 49 F 5.3383 8.4141 119.8385 55.6465 42.0609 173.2030 50 I 4.8576 8.8020 120.7022 60.7173 38.2518 175.3677 51 T 5.1135 8.8362 116.0700 60.1294 72.5677 172.2123 52 Y 4.8694 8.8906 119.7560 56.0937 41.6674 174.8849 53 R 4.5191 9.2336 125.1116 56.0406 31.5464 174.9110 54 I 4.9708 8.9797 128.2311 59.7967 39.5929 174.5715 55 I 4.9824 8.5542 128.4499 59.7782 39.9196 174.7857 56 T 5.1432 9.0594 123.8713 61.6966 71.4855 173.3597 57 K 5.3969 9.3931 125.7544 55.0058 35.6744 176.7788 58 T 4.7103 8.6249 112.2586 61.2685 69.6126 174.3727 59 S 4.9054 7.9225 115.2148 57.4412 65.3109 173.7667 60 R 3.9825 8.5494 123.0011 56.9108 30.2785 177.1517 61 G 3.9189 8.2852 107.9339 44.3191 0.0000 173.7893 62 E 3.7540 8.4100 120.0443 57.7628 29.7245 176.3689 63 F 4.9745 7.4200 114.7119 55.7697 42.8250 173.5846 64 D 4.4173 8.8395 118.5997 54.6383 38.9177 171.5820 65 S 4.6551 7.5690 111.2635 57.8947 66.4664 173.4765 66 S 4.9900 8.8401 116.4784 56.9310 65.2057 173.5297 67 E 5.2993 8.5470 123.7340 54.9251 32.5862 174.1750 68 F 4.8292 9.4599 124.7073 55.5962 43.6340 173.2156 69 E 5.1484 8.9459 123.0380 54.6704 32.2075 174.9800 70 V 5.0881 9.0000 119.1938 59.7810 36.8106 174.3878 71 R 5.1408 8.5839 119.7243 54.6740 32.9801 175.6862 72 R 5.0271 8.9995 121.6754 54.5699 34.9047 174.9564 73 R 5.2003 9.3068 119.6490 55.3661 31.7265 176.6683 74 Y 4.3143 9.2894 120.2721 61.4695 38.6187 178.5013 75 Q 4.0735 8.3731 118.1346 59.0140 28.7753 178.4533 76 D 4.5446 8.4311 120.2095 57.4098 40.7673 178.7485 77 F 4.0488 8.5453 117.9688 60.4260 38.9185 177.5585 78 L 3.8182 7.7486 118.7739 57.1846 41.3524 179.2338 79 W 4.0987 8.3861 128.4301 60.4171 30.6358 177.6948 80 L 3.5494 8.2014 120.1581 57.9777 41.5269 178.6535 81 K 4.0211 8.3532 119.9144 59.6396 32.0887 178.9158 82 G 3.4770 7.9373 105.8305 47.6090 0.0000 175.8195 83 K 3.7165 7.5688 120.8949 59.1531 32.1034 179.4995 84 L 3.9517 7.9205 119.3238 57.5965 41.5140 179.3821 85 E 3.9275 8.1959 118.6098 59.5319 29.2018 179.2815 86 E 4.0058 7.9648 117.0742 59.3124 29.5782 178.9982 87 A 4.1505 7.7430 119.4841 53.7317 20.0894 177.4085 88 H 4.7798 7.7161 113.8060 53.5237 29.1647 172.4622 89 P 4.4764 0.0000 0.0000 64.4292 31.9114 178.1875 90 T 4.3312 7.7764 107.3212 61.4171 69.3110 174.3358 91 L 4.4529 7.5595 122.3708 53.6672 43.1629 176.2049 92 I 4.1863 7.9400 122.3328 59.9201 37.4823 176.0787 93 I 3.9060 8.0437 126.7671 59.8877 37.7997 174.4572 94 P 4.3194 0.0000 0.0000 62.4019 31.7104 174.6777 95 P 4.6672 0.0000 0.0000 62.6887 32.5689 176.3576 96 L 4.6874 7.8397 118.1256 52.2683 42.0700 174.4482 97 P 4.5248 0.0000 0.0000 62.3836 32.5613 176.7576 98 E 4.6015 8.3692 117.4218 54.5457 32.5286 174.2529 99 K 4.3770 8.7349 125.3103 55.3788 33.5287 175.9902 *100 F 4.4238 8.4467 124.8364 55.9378 38.9537 172.4449 *105 M 4.3408 8.4954 124.6931 53.8436 34.1299 176.8894 106 V 3.9762 7.4566 117.8164 63.3893 32.9545 177.7446 107 E 3.7649 7.9771 121.4664 58.5445 29.4782 178.7566 108 R 3.0454 7.3330 113.8156 57.9074 29.4180 177.0499 109 F 5.1232 7.5525 115.2705 57.1222 39.6126 175.6856 110 N 4.6076 8.0374 120.6254 53.1491 40.5337 175.1655 111 D 4.3554 8.6987 126.1245 57.5999 41.4157 178.0622 112 D 4.3335 8.2323 118.0466 57.2394 41.2704 177.7451 113 F 4.0787 8.6456 121.0401 61.5101 39.4663 177.2181 114 I 3.9040 8.2526 119.5472 64.5032 36.9752 178.1677 115 E 4.1153 8.5995 120.4816 59.3828 29.4248 178.9363 116 T 3.7965 8.1234 116.1926 66.5126 68.5258 176.6066 117 R 3.5154 7.7293 120.4940 59.1220 30.0255 178.1326 118 R 3.5724 8.2640 118.9486 59.6159 30.0266 178.3676 119 K 3.9218 8.0708 117.5922 59.5821 31.9891 179.2260 120 A 3.9880 7.8249 120.9049 55.0588 18.1904 179.7391 121 L 3.7360 8.2409 117.9744 57.8819 41.5512 179.1051 122 H 4.3101 8.4193 118.3667 59.2417 29.8307 177.1665 123 K 3.8690 8.1784 121.3473 59.3910 32.0338 178.2373 124 F 4.0995 8.4580 120.9969 61.5802 39.2520 177.1047 125 L 4.0500 8.4918 118.5176 57.9577 41.4597 179.3734 126 N 4.3642 8.4622 116.5042 56.3123 38.2110 177.7286 127 R 3.8525 7.8169 118.7678 59.1730 30.5233 178.8999 128 I 3.3995 7.4036 119.4017 64.0818 36.7481 178.3802 129 A 4.0854 7.6874 121.9821 54.4573 18.3179 178.7539 130 D 4.4133 7.8067 115.1225 54.6265 41.6230 176.0224 131 H 4.4042 7.3081 121.1435 54.0864 30.5528 174.2113 132 P 4.3232 0.0000 0.0000 64.8677 31.6324 177.4626 133 T 4.4736 7.8798 109.3006 63.5127 70.0654 176.5045 134 L 3.7286 7.6697 121.1751 57.3525 41.4974 179.0760 135 T 3.7021 7.6235 112.9328 64.0481 66.8789 175.0859 136 F 5.0965 7.0691 117.5866 57.2218 39.6121 175.9381 137 N 4.5233 8.1672 121.1615 53.5167 40.2783 175.2790 138 E 4.0385 8.8594 127.7079 59.6223 29.8709 178.8073 139 D 4.6305 8.2932 118.4921 56.9651 40.9252 178.3217 140 F 4.4270 8.6760 121.5747 61.1616 39.4690 176.9160 141 K 3.6521 8.0885 119.1307 59.6481 31.9207 178.6264 142 I 3.7624 7.9583 119.9537 64.4499 36.8360 177.9850 143 F 3.9931 8.5452 120.5740 61.2957 39.2835 176.5323 144 L 4.2025 7.5861 115.9440 55.7367 41.7622 177.4043 145 T 4.2795 7.0491 105.0681 61.1233 70.4811 174.6103 146 A 4.0680 7.9923 124.9874 53.0889 18.9261 176.6902 147 Q 3.4348 8.6983 117.2873 56.6966 26.3263 174.2819 148 A 4.6034 8.1211 117.7902 52.2880 19.3071 178.2233 149 W 4.6476 9.1573 121.0068 54.8962 31.4220 176.5471 150 E 4.2381 8.7385 120.3234 56.8457 28.5947 177.0201 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 24 M 8.30 4.42 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 25 D 8.38 4.37 0.00 2.69 2.55 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 26 E 8.40 4.41 0.00 1.98 1.88 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 2.26 2.30 0.00 27 P 0.00 4.38 0.00 2.23 2.05 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 28 D 8.35 5.03 0.00 2.65 2.60 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 29 L 8.52 4.16 0.00 1.72 1.74 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.34 4.05 0.00 2.07 2.17 0.00 1.95 0.00 0.00 1.97 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.77 7.81 31 D 7.85 4.48 0.00 2.62 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 0.00 0.00 0.00 32 L 7.64 4.85 0.00 1.35 1.45 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.32 4.99 0.00 2.96 2.93 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 34 I 8.73 5.29 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 1.08 0.00 0.00 35 T 9.04 4.64 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 1.25 0.00 0.00 36 V 8.03 4.90 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 1.00 0.00 0.00 1.15 0.00 0.00 37 D 9.33 4.46 0.00 2.73 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 38 E 8.68 3.67 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 39 P 0.00 4.42 0.00 1.95 1.79 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 40 E 8.92 4.77 0.00 1.70 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 41 S 8.45 4.64 0.00 3.56 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 42 H 9.03 4.45 0.00 2.80 1.95 0.00 5.58 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.29 4.42 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 0.84 0.00 0.00 0.80 0.00 0.00 44 T 8.60 4.48 4.29 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 1.22 0.00 0.00 45 T 8.51 4.00 4.26 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 1.23 0.00 0.00 46 I 7.02 4.43 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.94 0.00 0.00 47 E 7.47 4.84 0.00 2.15 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 2.40 2.32 0.00 48 T 8.76 5.22 4.42 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 0.94 0.00 0.00 49 F 8.41 5.34 0.00 3.27 3.22 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 50 I 8.80 4.86 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.13 0.56 0.00 0.00 51 T 8.84 5.11 4.35 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 1.53 0.00 0.00 52 Y 8.89 4.87 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.23 4.52 0.00 1.69 2.08 0.00 3.23 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 54 I 8.98 4.97 1.88 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.96 1.06 0.00 0.00 55 I 8.55 4.98 1.91 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 1.25 0.82 0.96 0.00 0.00 56 T 9.06 5.14 4.32 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 1.23 0.00 0.00 57 K 9.39 5.40 0.00 1.88 1.81 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.43 7.81 58 T 8.62 4.71 4.32 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 1.29 0.00 0.00 59 S 7.92 4.91 0.00 3.91 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 60 R 8.55 3.98 0.00 1.72 1.79 0.00 3.07 0.00 0.00 2.64 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.19 0.00 61 G 8.29 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 0.00 0.00 0.00 62 E 8.41 3.75 0.00 1.57 1.25 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 1.47 1.64 0.00 63 F 7.42 4.97 0.00 3.08 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 64 D 8.84 4.42 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.57 4.66 0.00 4.06 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.84 4.99 0.00 3.91 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 67 E 8.55 5.30 0.00 1.95 1.74 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 2.19 2.53 0.00 68 F 9.46 4.83 0.00 2.91 2.89 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 69 E 8.95 5.15 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 70 V 9.00 5.09 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 0.82 0.00 0.00 0.88 0.00 0.00 71 R 8.58 5.14 0.00 1.70 1.78 0.00 2.38 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.00 72 R 9.00 5.03 0.00 1.83 1.75 0.00 2.65 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.00 73 R 9.31 5.20 0.00 2.14 2.37 0.00 2.21 0.00 0.00 2.75 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 74 Y 9.29 4.31 0.00 3.18 3.19 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 75 Q 8.37 4.07 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 76 D 8.43 4.54 0.00 3.07 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 77 F 8.55 4.05 0.00 2.77 2.64 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 0.00 0.00 0.00 0.00 78 L 7.75 3.82 0.00 1.82 1.65 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.39 4.10 0.00 3.44 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 80 L 8.20 3.55 0.00 1.83 1.67 0.94 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.35 4.02 0.00 1.96 1.91 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.55 7.81 82 G 7.94 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.57 3.72 0.00 1.41 1.50 0.00 1.48 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.21 7.81 84 L 7.92 3.95 0.00 1.71 1.57 0.63 0.85 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 E 8.20 3.93 0.00 2.10 1.95 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 2.29 2.41 0.00 86 E 7.96 4.01 0.00 2.00 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 2.29 2.40 0.00 87 A 7.74 4.15 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 88 H 7.72 4.78 0.00 3.24 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.48 0.00 2.15 2.15 0.00 3.30 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 90 T 7.78 4.33 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 1.20 0.00 0.00 91 L 7.56 4.45 0.00 1.75 1.54 0.68 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.94 4.19 1.84 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 1.39 0.49 0.89 0.00 0.00 93 I 8.04 3.91 2.00 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 1.35 0.74 0.87 0.00 0.00 94 P 0.00 4.32 0.00 2.05 1.99 0.00 3.44 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 1.66 1.93 0.00 95 P 0.00 4.67 0.00 2.19 2.06 0.00 3.77 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 2.00 1.99 0.00 96 L 7.84 4.69 0.00 1.42 1.49 0.14 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.52 0.00 2.16 2.04 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 98 E 8.37 4.60 0.00 2.04 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 2.28 2.35 0.00 99 K 8.73 4.38 0.00 1.75 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *100 F 8.45 4.42 0.00 2.34 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 0.00 0.00 0.00 *105 M 8.50 4.34 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 106 V 7.46 3.98 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 0.73 0.00 0.00 0.93 0.00 0.00 107 E 7.98 3.76 0.00 1.90 1.69 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 2.14 1.66 0.00 108 R 7.33 3.05 0.00 1.50 1.54 0.00 2.47 0.00 0.00 2.83 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 109 F 7.55 5.12 0.00 3.03 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 0.00 110 N 8.04 4.61 0.00 2.78 2.92 0.00 0.00 6.82 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.70 4.36 0.00 2.87 2.69 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 0.00 112 D 8.23 4.33 0.00 2.86 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 0.00 113 F 8.65 4.08 0.00 3.32 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 0.00 114 I 8.25 3.90 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.80 1.04 0.00 0.00 115 E 8.60 4.12 0.00 2.10 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 2.32 2.40 0.00 116 T 8.12 3.80 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 1.08 0.00 0.00 117 R 7.73 3.52 0.00 1.38 1.85 0.00 2.96 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.21 0.00 118 R 8.26 3.57 0.00 2.16 2.13 0.00 3.38 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 119 K 8.07 3.92 0.00 1.97 1.84 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.55 7.81 120 A 7.82 3.99 1.25 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 0.00 0.00 121 L 8.24 3.74 0.00 1.44 1.23 -0.24 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.42 4.31 0.00 3.34 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.18 3.87 0.00 1.87 1.98 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.44 7.81 124 F 8.46 4.10 0.00 3.17 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 0.00 125 L 8.49 4.05 0.00 1.98 1.97 1.39 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.46 4.36 0.00 2.85 2.84 0.00 0.00 7.02 7.22 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 0.00 127 R 7.82 3.85 0.00 1.77 1.83 0.00 3.27 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 1.60 1.72 0.00 128 I 7.40 3.40 1.28 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.44 -0.56 0.00 0.00 129 A 7.69 4.09 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 0.00 130 D 7.81 4.41 0.00 2.64 2.65 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 0.00 131 H 7.31 4.40 0.00 3.19 3.04 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.32 0.00 2.19 2.14 0.00 3.25 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 1.81 1.84 0.00 133 T 7.88 4.47 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 1.26 0.00 0.00 134 L 7.67 3.73 0.00 1.46 1.31 0.52 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.62 3.70 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 -0.02 0.00 0.00 136 F 7.07 5.10 0.00 3.10 3.01 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 0.00 137 N 8.17 4.52 0.00 2.79 2.82 0.00 0.00 6.82 7.25 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 0.00 138 E 8.86 4.04 0.00 2.17 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 2.43 2.54 0.00 139 D 8.29 4.63 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 8.68 4.43 0.00 2.98 3.29 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 0.00 141 K 8.09 3.65 0.00 1.89 2.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.36 7.81 142 I 7.96 3.76 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 0.94 0.00 0.00 143 F 8.55 3.99 0.00 3.35 3.38 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 0.00 144 L 7.59 4.20 0.00 1.51 1.51 0.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.05 4.28 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 0.34 0.00 0.00 146 A 7.99 4.07 1.25 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 0.00 0.00 147 Q 8.70 3.43 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 148 A 8.12 4.60 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 W 9.16 4.65 0.00 3.21 3.22 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 0.00 150 E 8.74 4.24 0.00 1.91 1.90 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 2.30 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.