NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 I 4.1463 7.9829 118.5496 59.9660 38.4039 178.0442 14 N 4.2223 8.2831 121.1334 57.4884 37.3946 177.8380 15 N 4.6041 8.3065 118.9433 55.6214 38.9595 176.9095 16 L 3.9265 7.8720 121.5697 58.0254 42.1773 178.7748 17 V 3.5673 7.7899 118.0793 66.2611 31.3985 178.0342 18 K 4.0526 8.0331 117.9358 59.6624 31.6168 179.4190 19 Q 3.9499 7.9887 117.2053 58.8788 28.7389 178.2839 20 A 4.1372 8.0678 120.9126 55.1733 18.6527 179.3384 21 Q 4.1458 8.3709 116.9287 58.8465 28.7295 180.0233 22 K 4.1927 8.0556 118.2589 56.9292 31.8824 178.1282 *24 Q 4.2119 7.9845 119.4713 55.7399 30.9746 176.3796 25 R 4.0852 8.2382 116.7964 59.6722 30.2402 179.9652 26 D 4.3950 8.3938 115.2880 55.0766 40.4397 178.3159 *28 E 4.2511 8.2671 121.2584 56.5333 31.6770 178.3531 29 R 3.8502 8.1682 118.3700 59.5283 30.0519 178.8442 30 V 3.5857 8.1552 118.4262 65.7807 31.2299 177.7351 31 Q 3.9947 8.0903 116.7534 59.1666 28.7680 178.5455 32 E 4.1153 7.9358 118.7648 59.6110 29.4331 179.2883 33 E 3.9886 8.4701 118.8368 59.5285 29.1236 179.5144 34 L 4.0552 8.2886 118.8691 57.1334 41.3538 179.4766 35 K 3.9714 7.7474 120.6851 59.8181 32.1292 178.2855 36 E 4.4512 7.9240 111.9181 56.4360 31.2015 178.2275 37 K 4.3993 7.6805 117.4795 57.4345 33.1408 176.3343 38 T 5.2278 8.3605 112.1780 60.1868 72.4426 172.8580 39 V 4.6569 9.1429 114.7468 59.5876 36.1469 174.2837 40 E 5.3024 8.6635 121.4335 54.6373 32.7065 174.3902 41 A 4.9914 9.0829 126.8095 50.4040 23.1199 174.8132 42 S 5.1855 8.5406 112.7603 57.0950 66.9478 172.5515 43 A 4.5792 8.6991 120.8019 50.5928 23.3010 175.8929 44 G 3.8282 9.0020 104.4858 47.1115 0.0000 174.0934 45 G 4.2363 9.2980 102.9957 46.3761 0.0000 175.3349 46 G 3.8931 8.3993 104.2871 45.0091 0.0000 174.6703 47 A 4.0884 7.8148 123.6486 54.0892 18.7877 177.9758 48 V 4.9179 8.0704 115.6584 61.4277 34.7528 174.9335 49 T 5.0654 9.1183 124.0334 61.7234 72.3131 172.9396 50 V 4.7486 9.0461 125.9859 61.0177 34.8416 174.0614 51 V 4.8410 8.7975 127.7383 61.1609 33.5706 174.1529 52 A 5.3370 8.8165 129.3710 50.3219 22.6557 175.5371 53 T 4.6730 8.7286 111.3748 60.2478 70.8877 176.1757 54 G 3.7316 8.6952 109.9631 47.4846 0.0000 174.6549 55 R 4.3659 7.9483 117.3878 55.3492 30.1205 176.1116 56 K 3.8501 7.8076 115.7973 57.3512 30.2358 174.8784 57 D 4.5596 7.6677 117.8949 53.3137 41.9282 175.3551 58 I 4.3010 8.2347 127.5089 61.3659 37.5008 175.6981 59 K 4.3506 9.0644 126.2894 58.5737 32.9652 177.3840 60 E 4.8291 7.8487 116.9764 54.9634 34.3496 174.5098 61 I 4.9813 8.2783 122.3561 59.9854 40.7997 174.6897 62 T 4.6588 9.0344 123.9868 61.7046 71.3065 173.1906 63 I 4.9606 8.2507 126.4067 59.2565 40.2690 175.4643 64 K 4.3473 9.2763 127.5213 55.2778 32.8750 176.8078 65 P 4.3301 0.0000 0.0000 65.3337 31.4778 178.2239 66 E 3.9610 8.2618 116.3556 58.7896 29.3603 177.8874 67 V 4.0378 7.4854 110.1364 60.9059 31.8603 176.1163 68 V 4.0281 7.5073 121.2740 61.2645 30.7258 174.5448 69 D 4.5814 8.1308 126.6867 51.7129 43.1369 174.1918 70 P 4.5125 0.0000 0.0000 65.1122 31.4879 176.6832 71 D 4.6775 8.3769 117.8788 54.6924 41.4721 176.6084 72 D 4.7486 8.1176 118.6816 53.2811 41.8378 175.3134 73 V 3.7749 7.6147 121.8414 65.6307 32.5504 178.0313 74 E 4.2781 7.9906 118.7527 56.4004 28.7245 178.4188 *76 L 4.2023 8.0787 122.6756 55.3010 44.1980 178.4832 77 Q 4.0022 8.4680 117.8661 59.3338 28.6432 178.7893 78 D 4.3843 8.3381 119.8526 57.3328 40.8166 179.0626 79 L 3.9960 7.7619 118.8817 57.7149 41.8434 179.1588 80 I 3.6748 7.9231 119.9682 64.3427 37.0856 178.1663 81 L 3.9131 8.0393 120.7187 58.1131 41.9486 178.8467 82 A 3.9629 8.0241 120.4188 55.2423 18.2877 179.5397 83 A 3.9744 8.0669 119.3229 54.9911 18.3905 180.0629 84 V 3.5085 8.2248 117.2612 66.3341 31.5780 178.0821 85 N 4.3178 8.1702 116.2322 56.2983 38.2770 177.0855 86 E 3.9002 8.4027 120.5627 59.0349 29.7179 178.7222 87 A 3.9705 8.2451 121.0615 55.1556 18.4991 179.5885 88 L 3.9352 8.1252 117.6608 57.8094 41.6665 179.5994 89 R 3.8874 8.2422 118.8825 59.6262 29.8078 178.7525 90 K 3.9945 8.1146 116.6740 59.2453 32.0272 179.0045 91 A 4.1261 7.8598 120.4543 55.2193 18.6387 178.8417 92 D 4.5330 8.1276 117.4696 57.5670 40.8513 179.1606 93 E 3.8350 7.9476 116.2384 56.9275 29.2659 178.3782 *95 V 4.0014 7.6969 118.5479 62.8309 33.5616 177.5689 96 T 3.8384 7.9753 116.0861 66.4865 68.2134 176.2879 97 A 3.9725 8.0797 122.6003 55.4885 18.1530 179.6152 98 E 3.9610 8.1192 116.3999 59.5294 29.5465 179.6187 99 I 3.8555 8.0201 120.0428 64.4618 36.9811 178.4636 100 S 4.1490 8.3326 115.2937 61.7668 62.7252 176.8124 101 K 4.1332 8.1051 120.3053 58.4256 31.8363 178.3527 102 I 4.2968 7.1798 111.5651 61.0906 38.5726 176.2622 103 T 4.2939 7.7389 116.4137 61.9419 68.9702 173.9203 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 I 7.98 4.15 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 1.27 0.64 0.91 0.00 0.00 14 N 8.28 4.22 0.00 2.80 2.87 0.00 0.00 6.92 6.03 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 15 N 8.31 4.60 0.00 2.72 2.89 0.00 0.00 6.66 6.74 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 16 L 7.87 3.93 0.00 1.75 1.85 0.92 0.89 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 17 V 7.79 3.57 2.25 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 1.07 0.00 0.00 1.00 0.00 0.00 18 K 8.03 4.05 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 19 Q 7.99 3.95 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 20 A 8.07 4.14 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 21 Q 8.37 4.15 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 22 K 8.06 4.19 0.00 1.89 2.00 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.49 7.81 *24 Q 7.98 4.21 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 25 R 8.24 4.09 0.00 2.07 1.97 0.00 3.19 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 26 D 8.39 4.40 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 4.25 0.00 2.05 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 2.30 2.46 0.00 29 R 8.17 3.85 0.00 1.89 2.07 0.00 3.20 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 30 V 8.16 3.59 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 1.06 0.00 0.00 0.96 0.00 0.00 31 Q 8.09 3.99 0.00 2.52 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.04 0.00 32 E 7.94 4.12 0.00 2.18 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 2.33 2.51 0.00 33 E 8.47 3.99 0.00 2.12 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 2.33 2.57 0.00 34 L 8.29 4.06 0.00 1.88 1.72 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.75 3.97 0.00 1.86 1.88 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 36 E 7.92 4.45 0.00 1.98 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 2.15 1.88 0.00 37 K 7.68 4.40 0.00 1.66 1.76 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.50 7.81 38 T 8.36 5.23 4.33 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 1.27 0.00 0.00 39 V 9.14 4.66 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 0.79 0.00 0.00 1.03 0.00 0.00 40 E 8.66 5.30 0.00 1.91 1.75 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 2.17 2.39 0.00 41 A 9.08 4.99 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 42 S 8.54 5.19 0.00 3.95 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 43 A 8.70 4.58 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 44 G 9.00 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 0.00 0.00 0.00 45 G 9.30 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 0.00 0.00 0.00 46 G 8.40 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 0.00 0.00 0.00 47 A 7.81 4.09 1.39 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 48 V 8.07 4.92 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 1.05 0.00 0.00 0.93 0.00 0.00 49 T 9.12 5.07 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 1.26 0.00 0.00 50 V 9.05 4.75 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 1.02 0.00 0.00 0.92 0.00 0.00 51 V 8.80 4.84 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 0.95 0.00 0.00 0.93 0.00 0.00 52 A 8.82 5.34 1.21 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 0.00 0.00 0.00 0.00 0.00 53 T 8.73 4.67 4.46 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 1.21 0.00 0.00 54 G 8.70 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 55 R 7.95 4.37 0.00 2.07 1.95 0.00 3.48 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.20 0.00 56 K 7.81 3.85 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.35 7.81 57 D 7.67 4.56 0.00 2.72 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 58 I 8.23 4.30 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 1.41 0.92 0.91 0.00 0.00 59 K 9.06 4.35 0.00 1.69 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.56 7.81 60 E 7.85 4.83 0.00 1.86 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 2.30 2.34 0.00 61 I 8.28 4.98 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 1.34 0.60 0.91 0.00 0.00 62 T 9.03 4.66 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 63 I 8.25 4.96 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 1.34 0.61 0.91 0.00 0.00 64 K 9.28 4.35 0.00 1.66 1.72 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.49 7.81 65 P 0.00 4.33 0.00 2.21 2.31 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 66 E 8.26 3.96 0.00 2.09 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 2.28 2.34 0.00 67 V 7.49 4.04 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 0.67 0.00 0.00 1.01 0.00 0.00 68 V 7.51 4.03 2.19 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 0.74 0.00 0.00 0.96 0.00 0.00 69 D 8.13 4.58 0.00 2.65 2.45 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 0.00 0.00 0.00 0.00 70 P 0.00 4.51 0.00 2.21 2.17 0.00 3.81 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 1.98 1.99 0.00 71 D 8.38 4.68 0.00 2.83 2.74 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 0.00 0.00 0.00 72 D 8.12 4.75 0.00 2.51 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 73 V 7.61 3.77 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 1.06 0.00 0.00 0.98 0.00 0.00 74 E 7.99 4.28 0.00 2.11 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 2.40 2.36 0.00 *76 L 8.08 4.20 0.00 1.91 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.47 4.00 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 78 D 8.34 4.38 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.76 4.00 0.00 1.82 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.92 3.67 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 1.71 0.85 0.91 0.00 0.00 81 L 8.04 3.91 0.00 1.97 1.82 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.02 3.96 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 83 A 8.07 3.97 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 84 V 8.22 3.51 2.15 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 1.10 0.00 0.00 0.98 0.00 0.00 85 N 8.17 4.32 0.00 2.90 2.85 0.00 0.00 6.73 7.47 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 86 E 8.40 3.90 0.00 2.14 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 2.30 2.37 0.00 87 A 8.25 3.97 1.39 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 88 L 8.13 3.94 0.00 1.84 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.24 3.89 0.00 2.02 2.10 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 90 K 8.11 3.99 0.00 1.91 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.58 7.81 91 A 7.86 4.13 1.42 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 0.00 0.00 0.00 92 D 8.13 4.53 0.00 2.92 2.74 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 0.00 0.00 0.00 93 E 7.95 3.84 0.00 2.16 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 2.30 2.31 0.00 *95 V 7.70 4.00 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 1.02 0.00 0.00 1.02 0.00 0.00 96 T 7.98 3.84 4.37 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 1.21 0.00 0.00 97 A 8.08 3.97 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 98 E 8.12 3.96 0.00 2.12 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 0.00 2.40 2.34 0.00 99 I 8.02 3.86 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 1.52 0.70 0.91 0.00 0.00 100 S 8.33 4.15 0.00 4.00 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 0.00 101 K 8.11 4.13 0.00 1.90 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 102 I 7.18 4.30 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 1.86 0.61 0.96 0.00 0.00 103 T 7.74 4.29 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 1.27 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.