NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 P 4.4067 0.0000 0.0000 62.6116 33.7989 178.2918 29 D 4.1441 8.0387 117.2658 56.6094 41.0686 176.5807 30 A 3.9863 8.0661 121.0789 55.1967 18.9281 178.5235 31 E 3.9081 8.1960 117.6636 59.3246 29.5993 178.7439 32 E 3.9826 8.1597 117.5575 59.6286 29.6791 179.4033 33 R 3.9421 7.7899 119.4171 58.8321 30.1040 178.8560 34 Q 3.9564 8.1046 119.5405 59.2480 29.0251 178.4296 35 T 3.8426 8.2553 117.2652 66.5457 68.4808 176.5654 36 K 3.9129 8.3239 120.7648 59.6286 32.0730 179.0320 37 L 4.0725 8.2622 120.5830 58.2907 42.0153 179.2917 38 R 3.9786 8.0343 117.9518 59.2266 29.9291 179.0061 39 L 4.0351 8.1504 118.6152 57.8109 41.6312 179.4973 40 A 3.8524 8.3588 120.9272 54.9972 18.1725 179.0225 41 Y 4.3989 8.7749 119.4041 60.3303 38.9459 178.0673 42 A 4.0559 8.2680 121.6291 55.2120 18.4935 179.2672 43 L 3.8146 8.1169 118.8842 58.5545 42.0954 179.0489 44 N 4.2068 8.5170 116.4810 56.0812 38.3643 177.3286 45 A 3.9474 8.0000 122.5970 54.9284 18.2851 179.9292 46 V 3.5005 7.7048 116.8576 66.0801 31.1766 178.3652 47 I 3.6423 7.6561 119.5554 64.7089 36.9663 177.5544 48 D 4.3580 8.2989 119.7701 57.7082 40.4328 178.9852 49 R 3.8762 8.0356 117.8402 59.6543 30.4434 178.7829 50 A 4.0950 8.1475 117.9051 52.6791 18.2848 177.6885 51 R 3.8617 8.1114 114.9066 56.7471 28.4946 176.2557 52 L 4.1479 7.4040 117.3819 54.1633 42.1979 178.0070 53 S 4.3732 8.4305 118.1704 58.3030 64.9970 175.4402 54 Q 3.9757 8.5416 120.2901 58.7382 28.4722 178.9437 55 A 4.0445 7.9258 121.2724 55.1900 18.5025 179.3830 56 A 3.9291 7.9619 119.0614 55.1304 18.3516 179.5994 57 A 3.8875 8.3839 119.4874 55.2317 18.4696 179.5715 58 A 3.9164 8.1866 119.0570 55.3535 18.3300 179.7670 59 A 3.9199 7.8372 118.7167 55.4098 18.2782 179.9167 60 R 3.8673 8.0672 116.3048 59.3782 30.2639 178.2115 61 L 4.2543 8.2396 117.5028 54.7648 41.9127 177.0601 62 G 3.9153 7.7744 106.9578 46.6273 0.0000 173.4601 63 I 4.6533 7.5532 111.0312 57.5359 40.7410 175.3491 64 N 4.2882 8.6055 118.3748 53.9319 40.1999 175.8862 65 Q 3.9526 8.7331 124.6337 59.0295 29.0453 177.0383 66 P 4.2504 0.0000 0.0000 65.5381 31.3967 178.4062 67 K 3.9211 7.9069 117.8600 59.4770 32.1035 178.8251 68 V 3.6526 8.1837 118.8650 66.0676 31.4532 178.0954 69 S 4.0870 8.0878 114.4956 61.4839 62.6198 176.4536 70 A 4.0082 7.8452 123.2051 55.1372 18.1690 179.0886 71 L 3.4190 7.9546 118.6866 58.6256 41.8634 179.6570 72 R 3.9122 7.9321 116.0134 58.4140 29.9381 177.7789 73 N 4.8363 7.6388 113.9993 51.8863 39.3418 174.2382 74 Y 3.4112 7.4596 117.5266 58.8907 36.1659 171.1666 75 K 4.3808 8.2891 120.5137 55.5594 31.4326 176.7589 76 L 5.0120 8.1810 122.0317 54.2948 42.7298 178.6655 77 E 4.0176 8.4853 119.5476 59.0011 29.4958 177.9119 78 G 3.8995 8.0680 104.8127 44.8932 0.0000 172.6117 79 F 4.7674 8.1057 119.0547 55.2681 41.0261 176.3835 80 S 4.6467 8.4459 120.5661 57.1548 65.5395 175.3118 81 V 3.5745 8.2707 121.7351 66.2117 31.2767 177.1594 82 E 4.0816 8.1990 117.0721 59.4587 29.6326 178.2140 83 R 4.2213 8.0864 119.8319 58.7615 30.1270 179.3165 84 L 4.1340 8.0362 116.9223 55.6553 41.9979 179.1249 *86 T 4.3483 7.9510 111.5205 61.6850 70.7924 176.0023 87 L 4.1311 8.3261 122.7129 57.4785 41.4946 179.1749 88 L 3.9796 7.9995 119.0407 58.0689 41.5128 179.3429 89 N 4.7225 8.4548 116.8360 55.7768 38.2640 177.1514 90 A 4.0407 7.7669 121.2613 54.3205 18.4146 178.3695 91 L 4.5028 7.3195 115.9392 54.5282 42.6493 176.3211 92 D 4.4400 8.1507 116.5403 55.5706 38.6859 173.7630 93 Q 4.5689 7.8204 118.7648 53.8264 30.1581 175.5310 94 D 4.5262 8.6197 123.1929 54.3945 41.5106 176.2413 95 V 4.2798 8.1494 120.8161 61.0555 33.8022 174.2188 96 E 4.4869 8.8465 127.9013 54.3477 31.2619 174.9345 97 I 4.1864 8.3237 127.5980 59.9130 37.3208 174.9230 98 V 4.2300 8.1811 125.6212 61.0212 32.7094 174.8907 99 I 4.5217 8.2516 127.6497 59.5684 39.0251 175.2265 100 R 4.6673 8.1966 122.9908 53.7297 33.9852 174.9691 101 K 4.0324 8.6054 122.9567 55.9308 32.8098 176.8182 102 K 4.1127 8.4447 124.7881 56.0278 31.7451 174.8848 103 P 4.2882 0.0000 0.0000 62.8733 31.8351 177.4517 104 R 4.1611 8.6909 121.7451 59.2526 30.2891 177.0448 105 S 4.7655 7.1487 113.3076 57.2539 62.9644 173.9824 106 R 4.5842 7.4749 117.6290 55.1879 33.0936 173.9795 107 A 4.3143 8.6036 125.9828 53.1026 19.7032 177.5891 108 A 4.6566 7.6313 116.8491 50.0959 21.8632 175.6632 109 A 4.3658 8.4384 125.0354 51.9050 19.4402 176.8239 110 R 4.6985 7.9784 114.5814 54.6915 32.5798 174.4160 111 I 4.3682 8.0786 120.6818 59.8735 38.4388 175.6987 112 S 4.7813 8.4114 118.4868 56.2394 65.9825 173.2380 113 V 4.3705 8.2379 120.4331 61.0401 33.4432 175.0208 114 V 4.4217 8.2460 125.3951 60.8791 34.5635 173.9782 115 A 4.6414 8.4841 127.9324 50.7172 20.4774 177.0827 116 A 4.2246 8.2816 124.1383 52.4743 19.3680 175.8675 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 28 P 0.00 4.41 0.00 2.20 2.17 0.00 3.57 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 29 D 8.04 4.14 0.00 2.79 2.67 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 0.00 0.00 0.00 30 A 8.07 3.99 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 31 E 8.20 3.91 0.00 2.09 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 2.38 2.44 0.00 32 E 8.16 3.98 0.00 2.33 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 2.31 2.51 0.00 33 R 7.79 3.94 0.00 1.85 2.04 0.00 3.15 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 34 Q 8.10 3.96 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 35 T 8.26 3.84 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 1.23 0.00 0.00 36 K 8.32 3.91 0.00 2.00 1.92 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.52 1.83 7.81 37 L 8.26 4.07 0.00 2.00 1.68 1.00 1.16 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 38 R 8.03 3.98 0.00 2.07 1.98 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 39 L 8.15 4.04 0.00 1.85 1.72 0.94 0.72 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 40 A 8.36 3.85 1.30 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 0.00 0.00 0.00 41 Y 8.77 4.40 0.00 3.23 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 42 A 8.27 4.06 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 0.00 0.00 0.00 0.00 0.00 43 L 8.12 3.81 0.00 1.90 1.74 0.86 0.82 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 44 N 8.52 4.21 0.00 2.75 2.67 0.00 0.00 6.97 7.92 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 45 A 8.00 3.95 1.15 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 0.00 0.00 46 V 7.70 3.50 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 1.09 0.00 0.00 0.99 0.00 0.00 47 I 7.66 3.64 1.94 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 1.47 0.82 0.86 0.00 0.00 48 D 8.30 4.36 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 49 R 8.04 3.88 0.00 1.92 2.01 0.00 3.33 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 1.79 1.81 0.00 50 A 8.15 4.10 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 51 R 8.11 3.86 0.00 1.89 2.00 0.00 3.32 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 52 L 7.40 4.15 0.00 1.63 1.59 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.43 4.37 0.00 4.04 4.01 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 54 Q 8.54 3.98 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 55 A 7.93 4.04 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.96 3.93 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 57 A 8.38 3.89 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 58 A 8.19 3.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.84 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.87 0.00 1.86 1.96 0.00 3.25 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 61 L 8.24 4.25 0.00 1.72 1.73 0.95 1.08 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 62 G 7.77 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 63 I 7.55 4.65 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 1.01 0.00 0.00 64 N 8.61 4.29 0.00 2.76 2.79 0.00 0.00 6.49 8.24 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 65 Q 8.73 3.95 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 66 P 0.00 4.25 0.00 2.18 2.08 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 67 K 7.91 3.92 0.00 1.75 1.91 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.14 7.81 68 V 8.18 3.65 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 1.04 0.00 0.00 1.02 0.00 0.00 69 S 8.09 4.09 0.00 4.10 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 70 A 7.85 4.01 1.58 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 71 L 7.95 3.42 0.00 1.57 1.78 0.29 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.93 3.91 0.00 1.89 1.92 0.00 3.42 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 73 N 7.64 4.84 0.00 2.84 2.88 0.00 0.00 7.12 7.46 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 74 Y 7.46 3.41 0.00 3.16 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 75 K 8.29 4.38 0.00 1.81 2.03 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.61 7.81 76 L 8.18 5.01 0.00 1.77 1.76 1.01 0.60 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 77 E 8.49 4.02 0.00 1.98 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 0.00 2.35 2.43 0.00 78 G 8.07 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 79 F 8.11 4.77 0.00 3.13 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 80 S 8.45 4.65 0.00 4.08 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 81 V 8.27 3.57 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 0.88 0.00 0.00 0.96 0.00 0.00 82 E 8.20 4.08 0.00 2.00 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 2.31 2.47 0.00 83 R 8.09 4.22 0.00 2.01 2.25 0.00 3.31 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 84 L 8.04 4.13 0.00 1.90 1.66 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *86 T 7.95 4.35 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 1.29 0.00 0.00 87 L 8.33 4.13 0.00 1.86 1.77 1.10 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.00 3.98 0.00 1.71 1.73 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.45 4.72 0.00 2.95 2.87 0.00 0.00 7.50 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.77 4.04 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 91 L 7.32 4.50 0.00 1.66 1.67 0.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.15 4.44 0.00 2.82 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 93 Q 7.82 4.57 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 94 D 8.62 4.53 0.00 2.67 2.61 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 95 V 8.15 4.28 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 0.81 0.00 0.00 0.94 0.00 0.00 96 E 8.85 4.49 0.00 1.93 1.80 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 2.18 2.29 0.00 97 I 8.32 4.19 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 1.31 0.73 0.92 0.00 0.00 98 V 8.18 4.23 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 0.82 0.00 0.00 0.93 0.00 0.00 99 I 8.25 4.52 1.87 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 1.42 0.76 0.91 0.00 0.00 100 R 8.20 4.67 0.00 1.73 1.76 0.00 3.21 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 101 K 8.61 4.03 0.00 1.71 1.71 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 102 K 8.44 4.11 0.00 1.90 1.81 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.47 7.81 103 P 0.00 4.29 0.00 2.19 2.03 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 104 R 8.69 4.16 0.00 1.76 1.97 0.00 3.22 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 105 S 7.15 4.77 0.00 3.94 3.84 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 0.00 106 R 7.47 4.58 0.00 1.71 1.73 0.00 3.42 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 107 A 8.60 4.31 1.28 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 0.00 0.00 0.00 108 A 7.63 4.66 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 0.00 109 A 8.44 4.37 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 0.00 110 R 7.98 4.70 0.00 1.86 1.85 0.00 3.02 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 111 I 8.08 4.37 1.87 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 1.36 0.60 0.92 0.00 0.00 112 S 8.41 4.78 0.00 3.91 3.78 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 0.00 113 V 8.24 4.37 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 0.86 0.00 0.00 0.94 0.00 0.00 114 V 8.25 4.42 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 0.93 0.00 0.00 115 A 8.48 4.64 1.27 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 0.00 0.00 116 A 8.28 4.22 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 * Residues marked with a * may have inaccurate shift predictions.