NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3246 8.1727 122.0499 56.2286 33.7378 173.9973 3 K 4.7077 8.6398 128.2351 54.0328 35.4840 173.2431 4 A 4.8828 9.2013 129.1240 50.1446 21.8027 175.0522 5 V 4.7700 9.1071 122.8202 60.9926 34.3993 174.8660 6 I 4.2331 8.5172 127.6408 59.6610 40.1080 174.6468 7 N 4.7875 8.7545 125.6103 51.5508 37.8074 175.9199 8 G 3.7687 9.1484 114.7080 48.2353 0.0000 173.3837 9 E 4.1249 8.1395 116.1868 58.3193 29.8758 177.5248 10 Q 4.1724 8.0229 117.8480 56.7811 29.2404 175.8143 11 I 4.0214 7.3763 120.1100 61.0660 37.0222 175.7423 12 R 4.5642 8.7852 124.2872 55.2237 30.9603 176.0626 13 S 5.1309 7.2544 113.4429 57.3135 66.2830 176.5347 14 I 3.7300 7.9886 121.9769 64.2337 37.5985 177.8340 15 S 4.1658 8.0662 113.6906 61.3525 62.1988 175.6342 16 D 4.3396 8.3547 121.7932 57.2372 40.5086 178.4302 17 L 3.8498 7.8244 120.6167 58.7092 42.0248 178.8786 18 H 4.3352 8.3174 115.9811 59.0202 28.6843 177.9124 19 Q 4.1032 8.5707 120.2400 59.0418 28.4534 178.8279 20 T 3.8578 8.2264 117.3169 66.5339 68.4473 176.8113 21 L 3.9350 8.1421 121.1849 57.4767 41.6315 179.2915 22 K 3.5348 8.2974 120.0031 59.3108 31.9410 178.7913 23 K 3.8874 7.9203 119.4919 59.6878 32.0142 178.7716 24 E 3.9271 8.3312 117.7450 58.8869 29.4414 177.8574 25 L 4.2609 8.0315 115.6850 53.6205 42.5913 175.9006 26 A 3.7355 7.3797 120.9615 53.1521 16.3288 177.1967 27 L 4.1549 7.6333 120.2108 53.5216 43.0957 176.3348 28 P 3.8673 0.0000 0.0000 62.1367 31.5830 177.5191 29 E 3.8718 8.3724 121.8507 59.2083 29.5681 177.4616 30 Y 4.3100 7.4564 114.3434 58.0541 38.5875 174.5004 31 Y 4.0600 7.5675 122.0504 57.1181 38.7735 176.9150 32 G 3.3181 8.3925 115.8800 45.8185 0.0000 172.5672 33 E 3.0276 5.9000 118.8163 56.0852 27.4557 173.4762 34 N 4.7747 6.7013 114.2485 50.5251 41.8727 174.5899 35 L 4.1000 8.4964 120.4977 58.2437 41.7107 179.5985 36 D 4.4533 8.2315 118.0265 57.2929 40.8641 178.4644 37 A 4.1034 8.6721 121.6353 55.0226 18.2667 179.4626 38 L 4.1410 8.3093 119.0291 58.1453 42.1820 178.7160 39 W 4.2199 8.4983 128.5091 60.7731 30.5592 177.2988 40 D 4.3059 8.4364 117.6695 57.7240 40.6009 178.1025 41 C 4.4416 8.2477 117.1279 62.5842 27.8650 176.0990 42 L 3.9547 7.9442 120.2912 57.5769 41.2527 178.9126 43 A 4.0894 7.7344 120.2412 53.5727 19.6084 177.9960 44 G 4.2146 8.1410 105.2297 43.0095 0.0000 170.4869 45 W 4.4233 7.5322 135.0000 58.1327 36.9550 174.6011 46 V 3.3923 8.0590 118.2420 62.7310 31.4949 174.8964 47 E 4.2241 7.9178 124.9405 54.8781 31.0390 175.2088 48 Y 4.7213 7.8770 120.1541 55.4711 40.1828 173.6679 49 P 5.0183 0.0000 0.0000 62.9519 32.8392 175.0925 50 L 4.8496 9.1127 121.3369 53.3984 46.0646 174.8396 51 V 4.7935 8.3305 125.0579 60.9763 34.3512 173.7664 52 L 4.8670 9.1518 130.6061 53.4390 44.1626 174.6391 53 E 4.8365 9.4923 129.5618 54.4933 31.4820 174.5989 54 W 5.0004 9.2364 135.0000 56.0048 32.3073 175.0777 55 R 4.7620 9.1907 127.1197 54.3419 32.1125 176.4874 56 Q 3.5488 8.5693 117.5170 56.6854 26.5986 175.6276 57 F 3.8970 8.4549 120.2126 61.4723 40.1150 174.7205 58 E 4.0982 8.3983 118.2652 59.6964 29.3834 178.6676 59 Q 4.0521 8.1248 117.5784 58.9656 28.5975 178.7939 60 S 4.2604 7.7626 113.6292 60.9370 63.2043 176.3620 61 K 4.0161 7.5964 122.1558 59.2007 31.4986 179.0299 62 Q 4.1001 7.8143 117.8644 57.9782 28.9920 177.5532 63 L 4.8113 7.7937 118.6383 54.7458 42.8231 177.1927 64 T 4.6336 7.6052 106.1493 60.6217 70.4797 174.3807 65 E 3.7310 7.6682 123.1012 58.6004 28.0439 174.8080 66 N 4.8195 8.7951 126.4676 54.2167 38.9138 176.5502 67 G 3.7005 8.7314 108.1696 47.8738 0.0000 175.9458 68 A 4.2968 7.7609 123.7273 54.9614 18.3820 179.3555 69 E 4.0732 8.1998 117.2542 59.6571 29.9201 179.0303 70 S 4.2188 8.3154 115.2807 61.5323 62.9555 176.8826 71 V 3.8377 8.4886 121.4706 65.9373 31.3760 177.7125 72 L 4.4093 8.6413 120.4830 58.5750 41.9199 178.7465 73 Q 4.0723 8.4843 119.4026 59.1727 28.8071 178.5751 74 V 3.7501 8.0169 119.1206 65.9864 31.5179 178.0078 75 F 4.1657 8.3464 117.0917 60.8382 38.7576 177.9636 76 R 4.0549 8.5126 117.5504 59.0711 29.5491 179.0852 77 E 4.0457 8.3089 117.8862 59.2635 29.9165 178.6136 78 A 4.3285 8.6606 121.1706 55.2001 18.4180 179.6275 79 K 4.1567 8.8209 119.4977 59.0929 32.0867 178.9324 80 A 4.0640 8.1929 120.1870 54.5881 18.3531 178.2659 81 E 4.2938 7.7275 115.3206 56.2984 30.0393 176.8074 82 G 4.0583 7.8907 105.3799 46.0103 0.0000 174.0688 83 C 3.7208 7.8006 118.6011 59.5777 28.7353 172.7612 84 D 4.8044 7.8807 124.5464 53.2517 39.7852 172.8794 85 I 5.0614 7.8051 121.6143 59.2056 40.2979 174.4845 86 T 4.6291 9.1055 124.1037 61.8770 70.7695 173.3677 87 I 4.9037 8.4330 126.8751 59.5508 39.6437 174.9187 88 I 4.4305 8.8113 128.1077 59.6098 39.4451 174.4238 89 L 4.9076 8.5557 129.8643 53.4975 43.2613 177.6977 *90 S 4.2696 8.8860 119.5743 58.3653 63.0369 170.2090 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 K 8.17 4.32 0.00 1.81 1.74 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.40 7.81 3 K 8.64 4.71 0.00 1.82 1.59 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.65 7.81 4 A 9.20 4.88 1.16 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 0.00 0.00 0.00 0.00 0.00 5 V 9.11 4.77 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 0.79 0.00 0.00 0.91 0.00 0.00 6 I 8.52 4.23 1.15 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.25 0.48 0.00 0.00 7 N 8.75 4.79 0.00 2.70 2.96 0.00 0.00 6.99 7.58 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 8 G 9.15 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 9 E 8.14 4.12 0.00 2.10 2.27 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 2.29 2.29 0.00 10 Q 8.02 4.17 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 11 I 7.38 4.02 1.98 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 1.43 0.71 0.94 0.00 0.00 12 R 8.79 4.56 0.00 1.73 1.91 0.00 3.37 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 13 S 7.25 5.13 0.00 3.99 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 14 I 7.99 3.73 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.32 0.95 0.00 0.00 15 S 8.07 4.17 0.00 3.95 3.86 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 0.00 0.00 0.00 16 D 8.35 4.34 0.00 2.94 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 17 L 7.82 3.85 0.00 1.78 1.84 0.59 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.32 4.34 0.00 3.33 3.51 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.57 4.10 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 20 T 8.23 3.86 4.27 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 1.09 0.00 0.00 21 L 8.14 3.93 0.00 1.86 1.70 1.07 1.05 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 22 K 8.30 3.53 0.00 1.95 1.98 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.33 7.81 23 K 7.92 3.89 0.00 1.87 1.87 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 24 E 8.33 3.93 0.00 1.96 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 2.50 0.00 25 L 8.03 4.26 0.00 1.67 1.70 1.06 0.73 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 26 A 7.38 3.74 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 27 L 7.63 4.15 0.00 1.23 1.13 -0.15 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 3.87 0.00 0.50 0.96 0.00 2.84 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.44 0.00 29 E 8.37 3.87 0.00 1.83 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 2.28 2.36 0.00 30 Y 7.46 4.31 0.00 3.04 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 31 Y 7.57 4.06 0.00 2.92 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 32 G 8.39 3.32 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 0.00 33 E 5.90 3.03 0.00 1.74 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 2.14 2.15 0.00 34 N 6.70 4.77 0.00 2.88 2.74 0.00 0.00 6.11 6.67 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 35 L 8.50 4.10 0.00 1.76 1.85 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.23 4.45 0.00 2.86 2.78 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 37 A 8.67 4.10 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 38 L 8.31 4.14 0.00 2.14 2.04 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.50 4.22 0.00 3.52 3.32 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 40 D 8.44 4.31 0.00 3.08 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 41 C 8.25 4.44 0.00 3.16 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 42 L 7.94 3.95 0.00 1.31 1.54 0.41 0.95 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 43 A 7.73 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.14 4.21 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 0.00 45 W 7.53 4.42 0.00 3.24 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 46 V 8.06 3.39 1.79 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 0.45 0.00 0.00 0.99 0.00 0.00 47 E 7.92 4.22 0.00 1.74 1.65 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 1.93 1.89 0.00 48 Y 7.88 4.72 0.00 2.99 2.83 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 49 P 0.00 5.02 0.00 2.12 2.31 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 50 L 9.11 4.85 0.00 1.78 1.75 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.33 4.79 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 0.97 0.00 0.00 0.95 0.00 0.00 52 L 9.15 4.87 0.00 1.49 1.36 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.49 4.84 0.00 2.04 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 2.26 2.26 0.00 54 W 9.24 5.00 0.00 3.46 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 55 R 9.19 4.76 0.00 1.87 1.89 0.00 3.36 0.00 0.00 3.30 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 56 Q 8.57 3.55 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 57 F 8.45 3.90 0.00 2.74 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 58 E 8.40 4.10 0.00 2.19 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 2.41 2.49 0.00 59 Q 8.12 4.05 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 60 S 7.76 4.26 0.00 4.16 4.27 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 61 K 7.60 4.02 0.00 1.98 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.25 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.19 1.27 7.81 62 Q 7.81 4.10 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.38 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 63 L 7.79 4.81 0.00 1.66 1.72 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.61 4.63 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 1.30 0.00 0.00 65 E 7.67 3.73 0.00 2.17 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 2.22 2.27 0.00 66 N 8.80 4.82 0.00 2.78 2.85 0.00 0.00 6.72 7.58 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 67 G 8.73 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.76 4.30 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 69 E 8.20 4.07 0.00 2.20 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 2.42 2.52 0.00 70 S 8.32 4.22 0.00 4.22 3.99 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 71 V 8.49 3.84 2.62 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 1.45 0.00 0.00 1.13 0.00 0.00 72 L 8.64 4.41 0.00 1.69 1.87 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.48 4.07 0.00 2.30 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 74 V 8.02 3.75 2.33 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 1.25 0.00 0.00 1.09 0.00 0.00 75 F 8.35 4.17 0.00 3.51 3.23 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 76 R 8.51 4.05 0.00 2.09 2.04 0.00 3.10 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 77 E 8.31 4.05 0.00 2.28 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 0.00 2.34 2.51 0.00 78 A 8.66 4.33 1.29 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 0.00 0.00 79 K 8.82 4.16 0.00 1.98 2.08 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.33 7.81 80 A 8.19 4.06 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 81 E 7.73 4.29 0.00 2.33 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 0.00 2.49 2.45 0.00 82 G 7.89 4.06 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 0.00 0.00 0.00 83 C 7.80 3.72 0.00 2.71 1.57 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 84 D 7.88 4.80 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 5.06 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.72 1.10 0.00 0.00 86 T 9.11 4.63 4.27 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 1.22 0.00 0.00 87 I 8.43 4.90 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.93 0.00 0.00 88 I 8.81 4.43 1.90 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 1.24 0.85 0.93 0.00 0.00 89 L 8.56 4.91 0.00 1.39 1.39 0.65 0.51 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 *90 S 8.89 4.27 0.00 3.78 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 * Residues marked with a * may have inaccurate shift predictions.