NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4572 8.1927 115.4227 58.3382 65.3570 175.4303 3 F 4.0850 8.5776 122.4104 60.8915 39.3194 174.7595 4 I 3.6138 8.6342 120.7620 64.2854 38.2896 176.7682 5 E 4.0779 8.2317 119.4611 59.5042 29.6131 179.9657 6 K 4.2880 8.3940 116.5140 56.9150 31.5121 178.9452 *8 I 4.0261 7.9898 122.1443 61.3712 39.1504 178.2946 9 G 3.5857 8.2699 107.1150 47.8380 0.0000 175.6640 10 S 3.8893 8.0708 115.4912 60.9013 62.4077 175.9978 11 L 3.8769 7.8034 121.1744 58.1030 41.4018 179.2157 12 N 4.3489 8.2853 116.2626 56.3903 38.4174 177.2903 13 D 3.9117 8.1410 120.5138 57.1924 40.7652 179.0758 14 K 3.8109 8.0148 119.0894 59.0331 31.9223 179.5514 15 R 3.9666 8.0261 119.3705 59.4158 29.8102 178.3962 16 E 4.1292 8.1181 117.4138 59.0749 29.5890 178.6605 17 W 4.6519 8.3021 127.4995 60.6063 31.0458 177.3353 18 K 3.9587 8.6899 119.2350 59.5167 31.5855 179.3401 19 A 3.8749 7.8801 118.0283 52.8354 18.1208 178.8930 *21 E 3.9732 8.2255 122.2493 57.8090 31.7827 178.4401 22 A 3.9290 7.7966 120.4989 55.0439 18.1369 179.7142 23 R 3.7910 7.7601 115.4220 59.5103 30.3673 178.8558 24 A 3.9055 7.5875 119.8910 54.8577 18.1789 179.4625 25 K 3.5998 7.8439 117.1131 59.2598 32.3002 178.6857 26 A 4.0966 7.7903 120.1647 53.5175 18.4471 177.7562 27 L 4.1007 6.7391 116.5267 53.5673 42.5224 175.6313 28 P 4.4725 0.0000 0.0000 62.0707 33.1745 177.4113 29 K 3.8801 8.7266 120.1036 60.3287 31.8558 178.7083 30 E 4.0110 8.1762 117.9254 59.4868 29.3870 178.8761 31 Y 3.6542 8.0080 116.4082 61.1716 38.0855 177.5137 32 H 4.3377 8.6650 119.4164 59.5750 29.8833 176.7814 33 H 4.1108 8.8246 120.2151 59.2745 29.6717 177.0538 34 A 3.9810 8.2977 122.7612 55.2850 18.0729 179.0031 35 Y 4.1721 8.5686 118.0739 60.9872 38.9670 178.4215 36 K 4.1868 8.5525 120.5775 58.8191 32.1080 179.2406 37 A 3.9573 8.2216 121.2976 55.2480 18.0797 179.8066 38 I 3.7153 7.8051 117.5117 64.3397 37.1674 178.3441 39 Q 3.3004 8.0248 119.1839 58.6449 28.2757 179.0087 40 K 4.0252 7.4853 117.8261 59.5628 32.1343 179.4799 41 Y 4.2104 7.4468 115.0802 57.9350 38.6430 176.0748 *43 W 5.4262 7.9025 116.0536 56.6518 31.0985 174.7492 44 T 4.9423 7.6568 110.3232 60.3972 70.6842 173.7641 45 S 4.5385 8.6874 115.1292 60.9908 63.2276 175.6398 46 G 3.6878 7.8103 108.3317 45.8756 0.0000 173.6957 47 G 4.1513 7.8118 109.7792 42.7311 0.0000 171.7087 48 P 4.8395 0.0000 0.0000 62.3688 31.7824 176.3470 49 T 3.4303 7.9286 107.4303 61.0003 69.9464 173.5580 50 D 4.8611 7.3455 121.4611 50.7272 44.0054 175.6840 51 W 4.4053 8.7705 128.5697 60.5611 30.7553 177.3319 52 Q 3.7810 8.1876 119.1191 59.5002 28.4408 178.2104 53 D 4.2917 8.4958 119.6536 57.2838 40.8912 178.7603 54 T 4.0658 7.8297 116.3555 66.6088 68.5414 176.3162 55 K 3.4710 7.5764 121.6144 59.3728 32.0835 178.7281 56 R 3.8181 7.6452 118.6752 59.3780 29.9997 178.6322 57 I 3.5111 7.7290 119.4676 64.5324 37.0914 178.5609 58 F 4.2165 8.4004 118.7963 60.2275 38.7343 178.0665 59 G 3.7777 8.4304 105.7464 47.7743 0.0000 175.9766 60 G 3.5832 8.0959 108.0877 47.5982 0.0000 175.7722 61 I 3.6156 7.7614 122.3611 64.0624 36.9824 178.5537 62 L 3.9461 8.2436 119.9688 57.7767 41.5794 179.1347 63 D 4.3673 8.2276 118.8954 57.3593 40.8261 178.7207 64 L 4.0547 7.9997 120.5484 58.4009 42.1143 179.0637 65 F 4.6270 8.7375 118.0742 60.7346 38.9332 177.5947 66 E 3.8926 8.6350 118.6273 59.1548 29.1015 178.9898 67 E 4.0118 8.2030 119.1334 59.2141 29.7567 179.1504 68 G 3.6316 8.2692 105.5329 47.8491 0.0000 175.5167 69 A 3.6040 7.9514 123.6256 54.5994 17.9972 179.6078 70 A 3.9745 7.6330 118.0049 54.5511 18.4780 178.6449 71 E 4.4226 7.6323 114.9949 55.4947 29.7865 176.7008 72 G 3.9447 7.5714 106.1691 46.2241 0.0000 174.5677 73 K 4.2583 7.9410 118.2660 55.4952 33.0323 177.3972 74 K 4.1232 8.6345 120.9301 55.8851 33.0663 178.5659 75 V 2.8590 7.8901 121.9381 66.1633 31.4335 178.2816 76 T 4.0921 7.3887 107.3664 62.8002 69.1347 176.0332 77 D 4.3454 7.5969 122.1252 56.9456 40.7135 178.1786 78 L 4.1672 7.5103 119.1913 57.5807 41.8203 178.7419 79 T 3.7439 7.6266 108.1055 60.6404 69.2459 175.8207 80 G 3.9635 7.2951 105.5536 45.3137 0.0000 173.4792 81 E 4.0049 8.3940 118.2897 58.9519 29.8430 177.8377 82 D 4.5935 7.7465 119.4694 52.9779 39.7943 176.2647 83 V 3.6153 7.8311 123.1725 65.2308 31.9365 176.8174 84 A 3.5696 7.8358 120.0875 54.8792 18.2228 179.2823 85 A 4.1164 8.2198 119.2329 55.0614 18.4072 179.5582 86 F 4.0796 8.0314 119.3550 61.8805 39.2898 177.1674 87 C 3.7968 8.0150 114.7446 62.6610 27.8886 175.7372 88 D 4.4703 7.6628 119.6633 57.5211 40.5580 178.2766 89 E 4.0821 7.7394 117.5529 59.1096 29.4267 179.3690 90 L 3.7300 7.1571 115.4783 55.9819 41.7773 177.5549 *92 K 4.2854 7.9443 117.8586 56.0178 34.2684 176.1116 93 D 4.8868 8.0289 116.5670 53.8677 41.3720 175.2967 94 T 4.5142 7.4409 115.4694 61.0361 71.0704 174.0565 95 K 4.0766 8.4439 127.2951 56.6406 33.1324 176.1293 96 T 5.1116 8.4120 115.5263 58.8107 70.9531 176.4186 97 W 4.3124 7.6464 121.2685 56.6015 28.5299 178.7327 *99 D 4.5412 8.3386 119.0781 54.4618 42.4274 178.4616 100 K 4.0005 7.6618 117.8800 59.7074 31.8515 179.1203 101 Y 4.4878 8.0991 117.2432 60.9116 37.7091 178.4707 102 R 3.9868 8.1054 118.8113 59.5279 30.2298 178.9406 103 T 3.8632 7.7857 114.9517 66.5031 68.4066 176.3866 104 K 3.9042 8.2916 121.5808 59.4945 32.1933 178.3176 105 L 3.9532 8.1656 120.4127 58.4412 42.0380 178.6906 106 N 4.3692 8.3344 116.3419 56.5407 38.2564 177.2549 107 D 4.3613 8.3961 119.7348 57.1613 40.9519 178.3980 108 S 4.2444 8.1900 113.2659 61.6140 62.7579 176.0276 109 I 3.9575 8.0511 122.4938 61.7510 37.1398 177.4172 110 G 3.6848 8.4946 107.6342 47.3492 0.0000 174.2854 111 R 4.5572 8.5293 122.0464 55.7522 30.2863 175.7182 112 D 4.5262 8.0536 124.2320 54.7744 40.6884 176.3122 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 2 S 8.19 4.46 0.00 4.05 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 0.00 3 F 8.58 4.08 0.00 2.99 3.17 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 4 I 8.63 3.61 1.86 0.00 0.00 0.76 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 0.95 0.85 0.00 0.00 5 E 8.23 4.08 0.00 2.02 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 2.39 2.34 0.00 6 K 8.39 4.29 0.00 1.93 1.77 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 *8 I 7.99 4.03 1.94 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 1.29 0.68 0.88 0.00 0.00 9 G 8.27 3.59 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 0.00 0.00 0.00 10 S 8.07 3.89 0.00 3.79 3.74 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 11 L 7.80 3.88 0.00 1.85 1.66 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.29 4.35 0.00 2.85 2.89 0.00 0.00 7.10 8.72 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 13 D 8.14 3.91 0.00 2.28 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.01 3.81 0.00 1.70 1.73 0.00 1.49 0.00 0.00 1.34 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.08 1.31 7.81 15 R 8.03 3.97 0.00 2.07 2.10 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 16 E 8.12 4.13 0.00 2.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 17 W 8.30 4.65 0.00 3.22 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 18 K 8.69 3.96 0.00 2.25 2.12 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.57 7.81 19 A 7.88 3.87 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 *21 E 8.23 3.97 0.00 1.69 1.70 0.00 0.00 0.00 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 1.47 0.00 22 A 7.80 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 23 R 7.76 3.79 0.00 1.70 1.92 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 24 A 7.59 3.91 0.80 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 0.00 0.00 25 K 7.84 3.60 0.00 1.74 1.91 0.00 1.46 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 26 A 7.79 4.10 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 27 L 6.74 4.10 0.00 1.83 1.62 1.09 1.32 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 28 P 0.00 4.47 0.00 2.32 2.02 0.00 3.35 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 29 K 8.73 3.88 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.61 7.81 30 E 8.18 4.01 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 31 Y 8.01 3.65 0.00 3.22 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 32 H 8.67 4.34 0.00 3.35 3.54 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.82 4.11 0.00 3.27 3.50 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.30 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.57 4.17 0.00 3.50 3.30 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 36 K 8.55 4.19 0.00 2.12 1.84 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 37 A 8.22 3.96 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 38 I 7.81 3.72 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.84 0.00 0.00 39 Q 8.02 3.30 0.00 1.98 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 1.32 1.75 0.00 40 K 7.49 4.03 0.00 1.91 1.93 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.63 7.81 41 Y 7.45 4.21 0.00 2.91 3.08 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 *43 W 7.90 5.43 0.00 3.35 3.11 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 0.00 0.00 0.00 44 T 7.66 4.94 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 1.30 0.00 0.00 45 S 8.69 4.54 0.00 4.04 4.17 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 46 G 7.81 3.69 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 0.00 0.00 0.00 47 G 7.81 4.15 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 0.00 48 P 0.00 4.84 0.00 2.24 2.05 0.00 3.63 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.02 0.00 49 T 7.93 3.43 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 0.09 0.00 0.00 50 D 7.35 4.86 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.77 4.41 0.00 3.45 3.20 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 52 Q 8.19 3.78 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 53 D 8.50 4.29 0.00 2.74 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 54 T 7.83 4.07 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 1.64 0.00 0.00 55 K 7.58 3.47 0.00 0.80 1.54 0.00 1.94 0.00 0.00 1.21 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.23 7.81 56 R 7.65 3.82 0.00 1.98 1.94 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 57 I 7.73 3.51 1.73 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.82 0.37 0.00 0.00 58 F 8.40 4.22 0.00 3.32 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 59 G 8.43 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 0.00 0.00 0.00 60 G 8.10 3.58 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 0.00 61 I 7.76 3.62 1.96 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.20 0.00 0.00 62 L 8.24 3.95 0.00 1.84 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.23 4.37 0.00 2.86 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 64 L 8.00 4.05 0.00 1.88 1.96 1.02 1.02 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 65 F 8.74 4.63 0.00 3.30 3.11 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 0.00 0.00 0.00 66 E 8.63 3.89 0.00 2.04 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 2.28 2.45 0.00 67 E 8.20 4.01 0.00 2.13 2.12 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 2.32 2.39 0.00 68 G 8.27 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.60 0.57 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 0.00 0.00 70 A 7.63 3.97 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 71 E 7.63 4.42 0.00 2.00 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 0.00 2.28 2.58 0.00 72 G 7.57 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 0.00 0.00 0.00 73 K 7.94 4.26 0.00 1.97 1.78 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.57 7.81 74 K 8.63 4.12 0.00 1.89 1.58 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.33 7.81 75 V 7.89 2.86 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 -0.23 0.00 0.00 76 T 7.39 4.09 4.15 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 1.09 0.00 0.00 77 D 7.60 4.35 0.00 2.86 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 78 L 7.51 4.17 0.00 1.63 1.70 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.63 3.74 3.68 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 0.56 0.00 0.00 80 G 7.30 3.96 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 0.00 0.00 0.00 81 E 8.39 4.00 0.00 1.94 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 2.26 2.25 0.00 82 D 7.75 4.59 0.00 2.67 2.56 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 83 V 7.83 3.62 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 0.99 0.00 0.00 0.91 0.00 0.00 84 A 7.84 3.57 1.11 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 0.00 0.00 0.00 0.00 0.00 85 A 8.22 4.12 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 86 F 8.03 4.08 0.00 3.24 3.26 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 87 C 8.01 3.80 0.00 3.17 3.07 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 0.00 0.00 0.00 0.00 88 D 7.66 4.47 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.74 4.08 0.00 1.97 1.92 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 2.32 2.45 0.00 90 L 7.16 3.73 0.00 1.04 1.41 0.65 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *92 K 7.94 4.29 0.00 1.89 2.07 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.42 7.81 93 D 8.03 4.89 0.00 2.60 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.44 4.51 4.15 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 1.16 0.00 0.00 95 K 8.44 4.08 0.00 1.67 1.51 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.30 7.81 96 T 8.41 5.11 4.38 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 1.27 0.00 0.00 97 W 7.65 4.31 0.00 3.32 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 *99 D 8.34 4.54 0.00 2.85 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 0.00 100 K 7.66 4.00 0.00 1.86 1.89 0.00 1.12 0.00 0.00 1.19 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.39 7.81 101 Y 8.10 4.49 0.00 3.04 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 0.00 102 R 8.11 3.99 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 103 T 7.79 3.86 4.45 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 1.27 0.00 0.00 104 K 8.29 3.90 0.00 2.05 2.10 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 105 L 8.17 3.95 0.00 1.90 1.87 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.33 4.37 0.00 2.80 2.87 0.00 0.00 7.13 7.59 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 0.00 107 D 8.40 4.36 0.00 2.69 2.75 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 0.00 108 S 8.19 4.24 0.00 3.95 4.07 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 0.00 0.00 0.00 0.00 109 I 8.05 3.96 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 1.46 0.70 0.92 0.00 0.00 110 G 8.49 3.68 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 0.00 0.00 0.00 111 R 8.53 4.56 0.00 1.80 1.94 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 112 D 8.05 4.53 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.