NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 E 4.3321 8.4293 120.2254 56.6687 31.0964 173.5217 14 N 4.7776 8.6567 116.6722 51.2058 41.0748 170.6756 15 C 5.0065 8.6005 119.6846 56.9759 40.2549 173.8582 16 C 4.6196 8.5066 119.7633 57.3264 33.2971 172.9113 17 V 4.0365 8.3758 119.6364 63.0683 31.7677 175.1209 18 R 4.5865 8.8080 127.6292 53.2340 32.5972 173.7919 19 P 4.9917 0.0000 0.0000 63.1357 32.5442 175.8602 20 L 4.5505 9.2061 124.6514 54.4410 45.6327 173.3292 21 Y 4.1848 8.6261 128.2273 56.3885 40.5868 173.7734 22 I 4.1589 7.2947 127.2032 59.2294 40.2587 173.8097 23 D 4.5885 8.8330 127.1621 52.5502 42.4763 176.7128 24 F 3.9326 8.5764 125.7157 60.8587 39.1772 177.8451 25 R 4.0144 8.2457 119.8440 59.6630 30.2556 178.5162 26 Q 4.0515 9.2053 116.1038 58.6248 28.8445 177.1240 27 D 4.5426 8.2170 116.2409 55.1660 41.7687 177.4141 28 L 4.0446 7.5960 116.3877 53.9884 42.4881 177.4201 29 G 3.8963 7.7019 104.9911 45.5383 0.0000 173.2964 30 W 4.8511 8.0377 120.0220 55.4625 28.9085 176.5467 31 K 4.3863 8.8174 122.8838 56.3550 32.2010 177.4270 32 W 4.6470 7.3958 114.9552 56.4651 28.9257 176.3454 33 V 3.5963 6.7489 120.2132 62.7960 31.3085 174.7950 34 H 4.6288 9.2210 128.3993 59.0660 30.5233 175.2899 35 E 4.9578 7.9385 115.8172 54.3823 33.6878 173.4689 36 P 4.9724 0.0000 0.0000 61.9632 33.4008 177.1234 37 K 4.2412 8.9931 118.4333 58.8432 32.2698 177.0403 38 G 3.5007 7.5276 101.9370 46.3989 0.0000 171.1179 39 Y 4.5082 6.6656 116.3370 56.0769 41.7813 173.7693 40 Y 4.3478 8.6752 117.6851 57.6366 37.3456 175.3298 41 A 4.1426 8.2970 128.0470 52.4223 20.1746 178.1747 42 N 4.7373 8.4519 113.4330 53.0300 37.9902 172.2976 43 F 4.9655 8.3022 112.2648 56.6225 41.7392 172.2249 44 C 5.1768 8.7467 116.6916 55.7998 42.2546 173.4630 45 S 4.6888 8.4695 116.2413 57.5884 65.8766 172.4135 46 G 4.7515 9.1970 109.9489 43.1920 0.0000 171.8004 47 P 4.4075 0.0000 0.0000 62.7374 31.9175 176.1183 48 C 5.1321 8.2575 116.5175 54.1659 43.9770 172.0449 49 P 4.5901 0.0000 0.0000 62.4935 31.5652 176.1889 50 Y 4.3347 8.8683 123.1301 60.7215 38.6307 176.9941 51 L 4.5321 7.7744 116.7724 53.4783 43.6256 175.7419 52 R 4.6796 8.1587 118.2799 54.9690 32.3893 177.0095 53 S 4.6457 8.2633 115.3468 58.1723 63.8628 174.4879 54 A 4.2184 7.9430 121.2281 53.1646 16.9563 177.5972 *73 S 4.3877 7.3826 119.5214 57.2984 63.3051 172.9240 74 A 4.4672 8.1460 120.0427 50.6473 21.5189 175.9753 75 S 4.3229 8.4079 116.1781 57.9176 63.4663 172.9904 76 P 4.6746 0.0000 0.0000 63.4572 31.8420 175.1892 77 C 4.9331 9.3540 118.6290 58.1664 32.2321 172.4389 78 C 5.0865 8.7228 121.3744 55.6808 42.1331 172.8772 79 V 4.8364 8.8174 119.6815 58.3380 36.0756 173.5278 80 P 4.3819 0.0000 0.0000 63.7779 31.2729 174.0333 81 Q 4.4595 9.5765 120.7216 56.4078 31.0272 174.3257 82 D 4.8176 8.7353 116.2427 53.2143 42.9259 175.0489 83 L 5.1779 8.5742 123.6121 53.1604 43.7838 175.8865 84 E 4.8549 9.5037 123.4570 54.0601 32.8878 173.5158 85 P 5.0853 0.0000 0.0000 61.9450 33.6596 174.5815 86 L 4.7760 9.0273 121.8706 53.5466 45.0690 174.9958 87 T 5.0640 8.5814 122.7523 62.4224 69.7103 173.9964 88 I 4.8900 9.0251 119.6387 58.9073 41.8806 173.8730 89 L 5.3686 9.1067 124.6791 53.5526 45.0618 174.7982 90 Y 5.4510 8.9288 123.1245 56.3171 42.2182 172.8350 91 Y 4.9655 8.9489 116.8565 56.1320 40.7965 175.8344 92 V 4.2920 8.2782 122.7092 61.6627 34.2317 175.1655 93 G 3.8744 8.6565 117.7635 46.7823 0.0000 173.7849 94 R 4.4121 8.6968 122.2355 56.4292 30.0296 176.1643 95 T 4.3984 7.9064 117.3614 61.5391 69.2364 172.3981 96 P 3.8088 0.0000 0.0000 62.3256 32.4173 176.0205 97 K 4.3256 8.6173 121.0165 54.6138 36.1973 175.1483 98 V 4.7930 8.3135 124.9648 61.2559 33.2524 174.2971 99 E 4.9459 9.2191 125.3585 55.3840 33.6483 173.4776 100 Q 5.0819 8.4757 116.2192 54.6224 31.8391 174.4180 101 L 4.7557 8.9968 122.8080 53.5434 43.5270 176.4475 102 S 4.6146 8.7832 118.1197 57.2795 64.7013 173.2983 103 N 4.2561 8.2738 115.8569 55.1108 35.7745 174.3033 104 M 4.5725 8.6611 116.6373 55.6412 34.8331 178.4424 105 V 4.6165 7.6843 119.0007 60.8369 34.0556 174.9345 106 V 3.9990 8.8488 129.5960 62.9680 31.1610 175.2529 107 K 4.5694 9.2577 130.2557 57.5920 33.7046 176.1645 108 S 4.7665 7.8122 112.2681 57.2024 66.4038 173.8418 109 C 5.6800 8.7036 117.6157 55.2412 42.5083 173.2931 110 K 4.8147 9.3575 119.0492 55.7090 36.1146 174.3649 111 C 5.3023 8.6322 119.1754 55.6429 40.1181 174.0250 112 S 4.4332 8.8930 117.1859 59.3626 63.3036 176.8994 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 13 E 8.43 4.33 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 14 N 8.66 4.78 0.00 2.78 2.90 0.00 0.00 7.07 6.80 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 15 C 8.60 5.01 0.00 3.12 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 16 C 8.51 4.62 0.00 2.94 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 17 V 8.38 4.04 2.01 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 0.74 0.00 0.00 0.90 0.00 0.00 18 R 8.81 4.59 0.00 0.67 1.28 0.00 3.15 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.00 19 P 0.00 4.99 0.00 2.16 1.98 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 20 L 9.21 4.55 0.00 2.18 1.75 0.94 0.63 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 21 Y 8.63 4.18 0.00 2.12 2.47 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 0.00 22 I 7.29 4.16 0.77 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.36 0.40 0.00 0.00 23 D 8.83 4.59 0.00 2.77 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 0.00 0.00 0.00 24 F 8.58 3.93 0.00 3.08 3.06 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 25 R 8.25 4.01 0.00 1.89 2.09 0.00 3.21 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 26 Q 9.21 4.05 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 27 D 8.22 4.54 0.00 2.49 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 28 L 7.60 4.04 0.00 1.02 0.33 -0.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.70 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 30 W 8.04 4.85 0.00 3.08 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 0.00 0.00 0.00 31 K 8.82 4.39 0.00 1.88 1.93 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.54 7.81 32 W 7.40 4.65 0.00 3.61 3.24 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 33 V 6.75 3.60 1.47 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 0.30 0.00 0.00 -0.74 0.00 0.00 34 H 9.22 4.63 0.00 3.48 3.68 0.00 6.01 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.94 4.96 0.00 1.97 1.83 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 2.31 2.31 0.00 36 P 0.00 4.97 0.00 2.41 2.32 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.15 0.00 37 K 8.99 4.24 0.00 1.93 2.00 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.15 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.43 7.81 38 G 7.53 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.67 4.51 0.00 2.99 2.92 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 40 Y 8.68 4.35 0.00 3.02 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 41 A 8.30 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.45 4.74 0.00 2.93 3.03 0.00 0.00 6.69 7.45 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 43 F 8.30 4.97 0.00 3.05 3.02 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 44 C 8.75 5.18 0.00 2.98 3.06 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 45 S 8.47 4.69 0.00 3.97 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 46 G 9.20 4.75 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 0.00 0.00 0.00 47 P 0.00 4.41 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 48 C 8.26 5.13 0.00 3.11 3.02 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 49 P 0.00 4.59 0.00 2.24 2.02 0.00 3.72 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 2.04 2.09 0.00 50 Y 8.87 4.33 0.00 2.82 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 51 L 7.77 4.53 0.00 1.73 1.61 1.01 0.82 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 52 R 8.16 4.68 0.00 1.76 1.82 0.00 3.12 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 53 S 8.26 4.65 0.00 3.82 3.81 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 0.00 0.00 0.00 54 A 7.94 4.22 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 *73 S 7.38 4.39 0.00 3.85 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 74 A 8.15 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.41 4.32 0.00 3.84 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 76 P 0.00 4.67 0.00 2.08 2.06 0.00 3.93 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 77 C 9.35 4.93 0.00 2.94 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 78 C 8.72 5.09 0.00 3.13 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 79 V 8.82 4.84 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 0.79 0.00 0.00 1.01 0.00 0.00 80 P 0.00 4.38 0.00 2.10 2.09 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 81 Q 9.58 4.46 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 82 D 8.74 4.82 0.00 2.65 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 83 L 8.57 5.18 0.00 1.64 1.62 0.96 0.98 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 84 E 9.50 4.85 0.00 1.88 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 2.27 2.40 0.00 85 P 0.00 5.09 0.00 2.10 2.08 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 86 L 9.03 4.78 0.00 1.47 1.36 0.84 0.31 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 87 T 8.58 5.06 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 1.29 0.00 0.00 88 I 9.03 4.89 1.81 0.00 0.00 0.82 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 0.91 0.84 0.00 0.00 89 L 9.11 5.37 0.00 1.74 1.71 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.93 5.45 0.00 3.50 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 91 Y 8.95 4.97 0.00 2.85 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 92 V 8.28 4.29 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 0.98 0.00 0.00 0.95 0.00 0.00 93 G 8.66 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 0.00 0.00 0.00 94 R 8.70 4.41 0.00 1.98 2.05 0.00 3.04 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 95 T 7.91 4.40 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 1.11 0.00 0.00 96 P 0.00 3.81 0.00 1.64 1.15 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 1.78 1.85 0.00 97 K 8.62 4.33 0.00 0.79 1.23 0.00 1.33 0.00 0.00 1.40 0.00 0.00 2.63 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.09 1.15 7.81 98 V 8.31 4.79 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 0.83 0.00 0.00 0.89 0.00 0.00 99 E 9.22 4.95 0.00 2.10 2.16 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 2.47 2.36 0.00 100 Q 8.48 5.08 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 101 L 9.00 4.76 0.00 1.69 1.71 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.78 4.61 0.00 3.90 3.88 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 0.00 103 N 8.27 4.26 0.00 2.89 2.92 0.00 0.00 6.85 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 0.00 104 M 8.66 4.57 0.00 1.73 2.07 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.91 0.00 105 V 7.68 4.62 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 1.16 0.00 0.00 1.15 0.00 0.00 106 V 8.85 4.00 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 0.78 0.00 0.00 1.07 0.00 0.00 107 K 9.26 4.57 0.00 1.76 1.94 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.42 7.81 108 S 7.81 4.77 0.00 3.88 3.89 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 0.00 109 C 8.70 5.68 0.00 2.81 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 0.00 110 K 9.36 4.81 0.00 1.73 1.97 0.00 1.31 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.42 7.81 111 C 8.63 5.30 0.00 2.88 3.06 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 0.00 112 S 8.89 4.43 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.