NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.6127 8.3231 116.7921 58.0578 66.2256 172.4402 9 G 3.7657 6.9145 115.0874 42.7779 0.0000 171.4306 10 K 4.3397 8.8888 129.5266 54.5688 32.4430 176.5277 11 R 4.1175 8.1337 124.1967 55.2455 26.6920 175.5448 12 P 4.3659 0.0000 0.0000 64.8693 31.9337 176.0147 13 I 3.9863 7.7965 117.8900 58.6013 39.2287 174.4877 14 V 4.6381 7.3955 123.3913 59.9953 32.4350 172.7660 15 A 4.3203 7.8764 124.8190 51.9645 18.6813 176.0403 16 N 5.0968 8.3651 111.4100 51.4397 40.3391 174.7434 17 S 4.5913 7.9063 115.7914 57.3417 65.7840 173.0630 18 I 4.5290 8.1675 119.7863 59.9495 39.1006 175.3835 19 Q 4.7779 8.2334 126.0758 53.9174 31.5815 175.9819 20 R 4.1695 8.4811 120.6751 57.0934 30.7328 175.1754 21 R 3.7703 8.8902 121.9304 53.3407 29.2944 175.7031 22 G 4.1422 8.2720 108.1936 45.7832 0.0000 171.9666 23 K 4.2004 7.7760 120.9784 56.6902 33.9449 176.4815 24 A 5.0867 8.4087 125.7406 48.5553 20.3891 174.5405 25 K 4.2769 8.5093 122.6421 55.8132 33.6254 176.0391 26 R 4.4453 8.1846 125.8343 57.6234 30.7378 175.2400 27 E 4.0497 8.8067 121.5689 57.0076 27.7286 177.5762 28 G 4.0834 9.5541 119.1889 45.3077 0.0000 174.8864 29 G 4.0009 9.6591 108.6149 45.9681 0.0000 175.3255 30 V 4.3834 7.6930 118.3904 59.8077 33.7521 173.7833 31 G 4.1195 8.6741 114.7184 44.1907 0.0000 173.3059 32 K 4.5931 9.0561 125.7527 54.1684 36.5470 174.8932 33 K 4.8844 8.3914 119.2333 57.6174 33.9783 175.7086 34 T 4.9564 8.2252 109.4928 60.1445 71.5632 173.3925 35 T 4.6265 8.3420 113.2007 59.4440 72.1478 173.3131 36 G 3.7326 8.8753 113.0006 46.7132 0.0000 172.8568 37 I 4.3911 8.7810 126.1094 60.6690 39.3349 175.5033 38 S 4.9233 7.1502 116.7168 58.3454 65.2425 175.4481 39 K 4.9360 8.7903 125.5452 54.7291 34.4958 175.1401 40 R 4.6920 8.4679 123.5563 54.6197 34.5777 173.5239 41 R 4.7830 8.4059 119.3594 54.6741 30.9661 176.6622 42 Q 4.3805 9.2160 127.1787 56.0487 31.6442 174.1698 43 Y 4.7968 8.2475 121.1253 56.4653 40.5155 172.1610 44 P 4.5962 0.0000 0.0000 61.5585 32.5181 174.9974 45 N 4.5445 8.5298 122.7198 52.2721 39.2944 175.6418 46 L 4.0080 8.4704 122.5961 55.1865 42.4010 178.0565 47 Q 4.3095 8.2836 122.5782 54.8946 28.7848 177.1498 48 K 4.0024 8.7242 126.6655 55.4547 31.4564 175.9964 49 V 3.5629 8.9029 119.6526 61.9909 33.0329 169.4407 50 R 4.9822 8.3457 123.7922 54.5922 32.4292 175.3874 51 V 4.3960 8.8266 125.2198 61.3129 34.0970 174.5604 52 R 5.0737 8.6480 127.2874 55.8013 31.5053 176.2501 53 V 4.3502 8.7501 119.7964 61.3229 35.2110 172.2545 54 A 5.3968 8.0631 124.6226 49.6093 18.9506 176.2331 55 G 3.7904 8.5108 110.1527 47.8294 0.0000 171.7463 56 Q 4.3810 8.0143 116.6053 55.9342 30.6229 174.8259 57 E 5.1909 8.5734 113.7790 54.4492 31.2876 174.1779 58 I 4.5419 9.1711 122.5633 59.5918 40.5585 175.4110 59 T 5.2671 8.3174 121.6494 61.8248 71.3863 173.4474 60 F 4.6264 9.2896 123.6957 55.8407 42.4651 175.3081 61 R 4.6730 8.6475 123.3324 55.0159 28.8152 175.6113 62 V 4.5670 7.8988 121.9860 59.5454 34.5678 176.1373 63 A 4.7298 8.6363 123.3557 50.5701 19.4814 175.7740 64 A 4.1410 8.5259 125.7680 55.6996 18.3649 176.3705 65 S 5.1169 8.0032 124.5485 59.8725 61.4979 175.4352 66 H 4.8694 8.4351 115.8554 54.7575 31.3372 174.7307 67 I 3.7252 8.3129 122.8138 64.2555 36.8603 175.9364 68 P 4.3842 0.0000 0.0000 66.0770 30.9779 178.2329 69 K 3.9448 8.1257 119.0702 58.8670 31.9992 178.8460 70 V 3.0884 7.6559 118.9086 66.0412 31.2092 177.6873 71 Y 3.7859 7.6960 115.7993 60.9238 37.6536 177.2956 72 E 3.9175 8.1176 119.1097 59.6551 29.9887 178.5186 73 L 4.0473 7.8704 118.7085 57.7651 41.4945 179.5656 74 V 3.6027 7.4643 118.5233 64.9880 31.9713 177.3231 75 E 4.6026 8.2202 118.9804 54.8867 27.9453 178.0276 76 R 4.4335 7.6674 116.4603 54.7818 33.3810 176.7969 77 A 4.5196 8.3933 128.6126 50.8842 17.5931 175.8314 78 K 4.0991 8.2664 117.7843 56.7384 32.6334 179.3284 79 G 3.6111 7.5868 103.5115 46.7400 0.0000 175.2679 80 L 4.4188 7.8965 129.2040 52.7701 45.1185 177.2821 81 K 4.1981 8.4896 124.7806 55.7196 32.6037 176.1271 82 L 3.9892 8.0588 120.7828 56.6289 42.3994 176.2489 83 E 4.6201 8.8085 122.1728 55.5143 35.0716 176.3711 84 G 4.3862 8.5762 111.1042 45.8271 0.0000 174.0564 85 L 3.7648 7.9135 118.5812 53.5535 40.5719 176.7883 86 S 4.4837 8.9977 114.4190 58.2048 62.7629 172.8818 87 P 4.6159 0.0000 0.0000 65.3076 32.1314 176.1948 88 K 3.9303 7.9427 118.0151 59.2473 32.0452 178.7040 89 E 3.9277 8.1171 117.0161 59.5932 29.4244 178.5713 90 I 3.7366 9.6478 120.1798 63.9289 37.4586 177.9492 91 K 4.4007 9.8753 114.8231 57.3803 31.8760 177.6183 92 K 4.4223 7.7553 117.3285 58.1691 34.8501 178.0491 93 E 4.4418 8.8656 114.2927 56.8131 30.6192 177.6160 94 L 4.1829 8.0589 120.6977 55.4049 40.9079 179.4646 95 L 4.5045 8.9216 114.3918 55.2076 45.0928 174.3770 *96 K 4.1215 8.4924 121.3265 54.9893 32.3453 176.7566 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 8 S 8.32 4.61 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.91 3.77 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 0.00 0.00 0.00 10 K 8.89 4.34 0.00 2.28 2.22 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.15 7.81 11 R 8.13 4.12 0.00 2.10 2.17 0.00 3.44 0.00 0.00 3.24 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 12 P 0.00 4.37 0.00 2.08 2.13 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 13 I 7.80 3.99 1.44 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 1.28 0.67 0.81 0.00 0.00 14 V 7.40 4.64 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 0.66 0.00 0.00 0.92 0.00 0.00 15 A 7.88 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.37 5.10 0.00 2.72 2.64 0.00 0.00 5.83 7.64 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 17 S 7.91 4.59 0.00 3.98 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 18 I 8.17 4.53 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 1.05 0.00 0.00 19 Q 8.23 4.78 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 20 R 8.48 4.17 0.00 1.71 1.87 0.00 3.54 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 21 R 8.89 3.77 0.00 1.84 1.76 0.00 3.46 0.00 0.00 3.24 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 22 G 8.27 4.14 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 0.00 0.00 0.00 23 K 7.78 4.20 0.00 1.70 1.75 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.39 7.81 24 A 8.41 5.09 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 25 K 8.51 4.28 0.00 1.86 1.68 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.44 7.81 26 R 8.18 4.45 0.00 2.05 2.01 0.00 3.14 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 27 E 8.81 4.05 0.00 2.29 1.77 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 2.35 2.30 0.00 28 G 9.55 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 4.38 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 0.77 0.00 0.00 0.93 0.00 0.00 31 G 8.67 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 4.59 0.00 2.05 1.66 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 33 K 8.39 4.88 0.00 1.83 1.97 0.00 1.45 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 T 8.23 4.96 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 1.21 0.00 0.00 35 T 8.34 4.63 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 1.21 0.00 0.00 36 G 8.88 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 0.00 0.00 0.00 37 I 8.78 4.39 1.92 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 1.11 1.21 0.96 0.00 0.00 38 S 7.15 4.92 0.00 3.94 3.67 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 39 K 8.79 4.94 0.00 1.65 1.69 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 40 R 8.47 4.69 0.00 1.81 1.76 0.00 3.32 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 41 R 8.41 4.78 0.00 1.73 1.90 0.00 3.44 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 42 Q 9.22 4.38 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 43 Y 8.25 4.80 0.00 2.89 2.85 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 44 P 0.00 4.60 0.00 2.09 2.48 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 45 N 8.53 4.54 0.00 2.61 2.75 0.00 0.00 7.17 7.85 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 46 L 8.47 4.01 0.00 1.58 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.28 4.31 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 48 K 8.72 4.00 0.00 1.87 1.52 0.00 1.99 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.51 7.81 49 V 8.90 3.56 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 0.99 0.00 0.00 50 R 8.35 4.98 0.00 1.86 1.80 0.00 3.25 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 51 V 8.83 4.40 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 0.83 0.00 0.00 0.97 0.00 0.00 52 R 8.65 5.07 0.00 1.77 1.86 0.00 3.32 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 53 V 8.75 4.35 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 0.77 0.00 0.00 0.72 0.00 0.00 54 A 8.06 5.40 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 55 G 8.51 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 0.00 0.00 0.00 56 Q 8.01 4.38 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 57 E 8.57 5.19 0.00 1.92 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 2.20 2.25 0.00 58 I 9.17 4.54 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.62 0.00 0.00 59 T 8.32 5.27 4.18 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 1.23 0.00 0.00 60 F 9.29 4.63 0.00 2.87 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 61 R 8.65 4.67 0.00 1.79 1.90 0.00 3.10 0.00 0.00 3.39 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 62 V 7.90 4.57 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 0.69 0.00 0.00 0.95 0.00 0.00 63 A 8.64 4.73 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 64 A 8.53 4.14 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 65 S 8.00 5.12 0.00 3.98 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 0.00 66 H 8.44 4.87 0.00 3.15 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.31 3.73 1.95 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 1.74 0.74 1.02 0.00 0.00 68 P 0.00 4.38 0.00 2.26 2.31 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 69 K 8.13 3.94 0.00 1.87 2.03 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 70 V 7.66 3.09 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 0.07 0.00 0.00 0.57 0.00 0.00 71 Y 7.70 3.79 0.00 3.25 2.97 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 0.00 0.00 0.00 72 E 8.12 3.92 0.00 1.97 2.14 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 2.33 2.38 0.00 73 L 7.87 4.05 0.00 1.88 1.66 0.98 0.75 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 74 V 7.46 3.60 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 0.86 0.00 0.00 0.91 0.00 0.00 75 E 8.22 4.60 0.00 2.10 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 2.37 2.39 0.00 76 R 7.67 4.43 0.00 1.81 1.82 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 77 A 8.39 4.52 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 78 K 8.27 4.10 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 79 G 7.59 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 80 L 7.90 4.42 0.00 1.60 1.56 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.49 4.20 0.00 1.74 1.80 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 82 L 8.06 3.99 0.00 1.57 1.61 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.81 4.62 0.00 1.88 1.86 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 2.15 2.28 0.00 84 G 8.58 4.39 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 0.00 85 L 7.91 3.76 0.00 1.62 1.44 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.00 4.48 0.00 4.10 3.98 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 87 P 0.00 4.62 0.00 2.09 2.12 0.00 3.80 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 1.91 1.93 0.00 88 K 7.94 3.93 0.00 1.81 1.90 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 89 E 8.12 3.93 0.00 2.17 2.21 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 2.37 2.35 0.00 90 I 9.65 3.74 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 1.15 0.00 0.00 91 K 9.88 4.40 0.00 1.84 1.91 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.66 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.63 1.74 7.81 92 K 7.76 4.42 0.00 2.04 1.77 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.42 7.81 93 E 8.87 4.44 0.00 2.01 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 2.35 2.40 0.00 94 L 8.06 4.18 0.00 1.89 1.25 1.04 0.93 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 95 L 8.92 4.50 0.00 1.71 1.57 0.92 0.80 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 *96 K 8.49 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.