NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1110 8.2644 123.5842 51.8326 20.2009 174.7117 2 K 3.5957 8.0371 124.9065 56.9194 29.8623 174.7539 3 Q 3.8286 8.5266 126.9063 58.8780 30.5741 179.1766 4 S 4.1640 8.2046 111.6102 61.6880 62.1507 175.6693 5 M 4.1702 8.0676 120.1664 57.1821 32.0515 178.3895 6 K 4.0602 8.3078 120.8459 59.4170 32.4842 178.7057 7 A 4.1089 7.9281 120.1067 54.6976 17.9652 179.5738 8 R 3.8639 7.7228 117.4111 59.3243 30.2875 178.4137 9 E 3.8355 8.1385 117.7755 58.1094 29.5590 178.7532 10 V 3.6669 7.4115 118.5931 65.9801 31.7152 177.7276 11 K 4.0691 7.9456 118.6480 58.9912 31.9715 178.9449 12 R 3.8142 7.4975 118.5339 59.3497 29.9107 179.1098 13 V 4.4410 7.7943 117.5996 65.6255 31.8134 176.8754 14 A 4.0012 8.7070 121.8177 52.9476 17.8270 179.3004 15 L 3.9383 8.0102 116.6336 57.3045 42.2746 179.6146 16 A 3.9395 7.8227 119.9935 54.6298 18.2985 178.3359 17 D 5.0041 8.4686 115.6148 53.9416 41.0614 178.4024 18 K 3.9867 7.8022 119.6907 59.8774 32.5034 176.5192 19 Y 4.2537 8.4460 115.5207 58.0534 39.0424 175.9200 20 F 4.2111 7.5996 121.0470 59.2312 40.6873 175.6544 21 A 4.2762 8.8801 130.0588 53.5904 18.9369 179.7067 22 K 4.3462 8.0867 117.3798 56.8422 31.3000 179.8715 23 R 3.9041 9.4169 120.5484 59.1391 29.9284 177.1410 24 A 3.6786 7.9251 119.5230 54.1938 18.4669 178.6000 25 E 4.1616 8.0698 116.9631 59.0395 29.7319 177.3727 26 L 4.5752 7.4278 121.3032 53.6433 39.9986 176.5297 27 K 5.1221 7.8576 133.7345 57.6605 32.6043 177.6145 28 A 3.9213 7.9809 123.1068 55.4314 18.7978 178.8173 29 I 4.0301 7.7702 115.9166 64.1804 37.8646 178.3054 30 I 3.8149 7.9796 119.4409 64.1411 37.0584 177.3757 31 S 4.7811 7.6765 115.0566 57.1672 62.8885 173.0244 32 D 4.5354 8.1740 117.2319 53.2678 44.4051 173.2811 33 V 3.6455 7.3547 124.5817 63.0177 29.8605 176.3103 34 N 4.8933 8.4268 128.6989 51.6228 39.9091 174.4318 35 A 4.4485 7.8023 121.1959 50.3719 21.6833 176.5076 *40 R 3.6898 8.0431 117.9931 55.2813 30.7301 174.5542 41 W 4.4196 8.1044 118.9756 56.6432 27.1616 176.1461 42 N 4.1693 8.7338 124.2667 56.3702 38.8483 176.7702 43 A 4.2763 7.7458 117.3957 53.2374 17.9369 178.9043 44 V 3.9361 7.9531 113.3346 64.3009 31.6245 177.2393 45 L 4.1859 7.9738 124.6233 56.6435 42.9968 178.2158 46 K 4.1527 8.1284 118.0716 59.7396 32.3003 178.7176 47 L 4.1293 7.2402 117.1521 56.6443 41.9752 177.8642 48 Q 4.3409 7.6469 119.8352 56.2745 27.2776 175.9368 49 T 4.7189 7.5909 115.5208 60.1092 69.5020 174.2769 50 L 4.4156 7.5479 122.4784 54.1987 44.5586 178.8505 51 P 3.4722 0.0000 0.0000 65.8923 31.8509 174.5822 52 R 4.1288 7.7102 120.3461 56.7720 28.4912 176.8442 53 D 4.4232 7.7761 116.9675 57.0515 41.0416 177.8027 54 S 4.2244 7.0207 114.6973 56.5301 59.9203 171.8830 55 S 3.4763 7.1303 113.8008 55.8262 65.5590 174.9486 56 P 4.1940 0.0000 0.0000 66.0646 31.0574 178.1163 57 S 4.3009 7.9818 109.8055 58.7709 62.8642 174.1612 58 R 4.2647 7.3001 120.2476 56.6283 30.5163 176.2914 59 Q 4.2276 7.9081 116.7793 56.5524 29.5737 175.8610 60 R 3.9189 8.4237 117.6074 58.0134 31.6818 174.8179 61 N 3.8681 8.1643 118.8565 53.4056 34.7041 173.2385 62 R 4.5680 7.2650 120.3271 53.7433 33.0269 175.2891 63 C 3.9090 9.1187 122.4357 59.1663 31.0201 174.4688 64 R 4.0421 9.1262 129.6350 59.3100 29.8880 177.4358 65 Q 4.3351 8.1751 115.2795 57.5917 29.7708 176.5887 66 T 4.2309 8.1787 106.2113 64.9111 69.8392 174.8290 67 G 3.7882 8.3364 111.3364 45.0931 0.0000 174.0611 68 R 3.7386 7.7285 119.3955 56.3064 29.9346 174.6603 69 P 4.6507 0.0000 0.0000 63.4755 32.2252 175.2918 70 H 4.8717 7.8624 115.4351 54.6807 31.6418 175.3367 71 G 4.0703 8.6061 107.4289 45.6674 0.0000 173.5331 72 F 4.1231 7.6449 120.9686 58.5965 40.0520 174.5309 73 L 4.7504 7.5791 125.5066 52.7932 44.5385 177.6139 74 R 3.9266 8.9145 123.0935 59.3840 30.4362 178.5894 75 K 3.4521 7.9864 117.0452 59.1220 31.9067 176.9099 76 F 4.4428 7.4584 114.5810 57.0777 40.2001 177.1942 77 G 3.8191 8.5124 107.8877 45.2522 0.0000 172.2418 78 L 5.0944 7.1465 118.4878 52.7282 45.8188 174.9528 79 S 4.9832 8.3414 115.0184 57.7777 64.5871 176.8478 80 R 3.6571 8.2463 122.2575 59.4954 29.6441 178.0121 81 I 3.5866 8.0581 119.8675 65.0286 36.9740 178.1553 82 K 4.0149 8.5199 119.0685 59.3806 31.8886 179.6976 83 V 3.3744 7.7161 118.3298 65.9032 31.2759 177.8753 84 R 3.8408 8.0804 118.3488 58.9715 29.7543 178.0730 85 E 3.8653 7.8851 117.2772 59.6453 29.7361 179.1503 86 A 4.0865 8.1919 120.2700 54.7394 18.3832 179.4988 87 A 3.8943 7.5141 119.6012 55.6374 18.3214 179.3169 88 M 4.2958 7.8562 114.1066 56.7635 32.1166 177.7731 89 R 4.5404 7.6723 117.2313 53.5427 31.3540 175.5397 90 G 3.9325 8.4561 109.1153 43.7391 0.0000 174.0338 91 E 3.7512 9.0734 119.7337 57.5022 29.0144 174.9912 92 I 4.1510 7.3247 127.0588 59.4777 37.0482 174.2706 93 P 4.2420 0.0000 0.0000 63.7091 31.6727 178.5669 94 G 4.0215 8.7756 109.2704 45.6921 0.0000 173.2728 95 L 4.4109 7.5246 121.9989 54.0305 42.8742 175.5393 96 K 4.4267 7.9583 122.8095 55.7673 34.9527 174.8787 97 K 4.0398 8.6011 119.3312 56.3187 32.1762 177.2465 98 A 4.7509 8.2159 127.3143 50.8546 21.2252 175.4890 99 S 4.4902 8.4367 110.5008 58.2786 64.7035 176.8008 100 W 4.3977 8.0146 118.3552 57.3925 27.2134 174.1318 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 1 A 8.26 4.11 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 2 K 8.04 3.60 0.00 2.04 1.98 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.49 7.81 3 Q 8.53 3.83 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 4 S 8.20 4.16 0.00 3.92 3.84 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 5 M 8.07 4.17 0.00 2.01 2.40 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 6 K 8.31 4.06 0.00 1.95 1.88 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 7 A 7.93 4.11 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 8 R 7.72 3.86 0.00 1.92 1.97 0.00 3.18 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 9 E 8.14 3.84 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 10 V 7.41 3.67 2.24 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 1.01 0.00 0.00 1.00 0.00 0.00 11 K 7.95 4.07 0.00 1.86 1.78 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.54 7.81 12 R 7.50 3.81 0.00 2.07 1.89 0.00 3.13 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 13 V 7.79 4.44 2.07 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 0.93 0.00 0.00 0.94 0.00 0.00 14 A 8.71 4.00 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 15 L 8.01 3.94 0.00 1.71 1.78 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.82 3.94 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 17 D 8.47 5.00 0.00 2.79 2.81 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 18 K 7.80 3.99 0.00 1.93 1.76 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.76 7.81 19 Y 8.45 4.25 0.00 3.30 3.01 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 0.00 0.00 0.00 20 F 7.60 4.21 0.00 3.21 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 21 A 8.88 4.28 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 22 K 8.09 4.35 0.00 1.91 1.49 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.51 7.81 23 R 9.42 3.90 0.00 1.98 2.03 0.00 3.27 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 24 A 7.93 3.68 0.33 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 25 E 8.07 4.16 0.00 2.17 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 26 L 7.43 4.58 0.00 1.60 1.70 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.86 5.12 0.00 1.98 2.00 0.00 1.36 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.22 7.81 28 A 7.98 3.92 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 29 I 7.77 4.03 1.89 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 1.43 1.01 0.96 0.00 0.00 30 I 7.98 3.81 1.91 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 1.47 0.45 0.94 0.00 0.00 31 S 7.68 4.78 0.00 4.04 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 32 D 8.17 4.54 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 3.65 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 0.81 0.00 0.00 0.92 0.00 0.00 34 N 8.43 4.89 0.00 2.90 2.88 0.00 0.00 6.78 7.23 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 35 A 7.80 4.45 1.12 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 *40 R 8.04 3.69 0.00 1.27 1.43 0.00 2.21 0.00 0.00 2.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 W 8.10 4.42 0.00 3.58 3.37 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 42 N 8.73 4.17 0.00 2.81 2.88 0.00 0.00 6.98 8.15 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 43 A 7.75 4.28 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.94 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 45 L 7.97 4.19 0.00 1.56 1.65 0.92 0.56 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 46 K 8.13 4.15 0.00 1.78 1.84 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.52 7.81 47 L 7.24 4.13 0.00 1.92 1.71 0.95 0.82 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 48 Q 7.65 4.34 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 49 T 7.59 4.72 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 50 L 7.55 4.42 0.00 1.74 1.14 1.06 1.15 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 51 P 0.00 3.47 0.00 1.83 2.14 0.00 2.54 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.86 0.00 52 R 7.71 4.13 0.00 1.89 2.08 0.00 3.10 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 53 D 7.78 4.42 0.00 2.63 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 54 S 7.02 4.22 0.00 3.82 3.45 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 55 S 7.13 3.48 0.00 3.18 3.31 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 56 P 0.00 4.19 0.00 2.28 2.34 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 57 S 7.98 4.30 0.00 3.98 4.02 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 58 R 7.30 4.26 0.00 1.62 1.93 0.00 3.23 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 59 Q 7.91 4.23 0.00 2.39 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.35 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 60 R 8.42 3.92 0.00 1.58 1.95 0.00 3.18 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 61 N 8.16 3.87 0.00 2.39 1.50 0.00 0.00 6.72 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 62 R 7.26 4.57 0.00 1.73 1.88 0.00 3.23 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 63 C 9.12 3.91 0.00 3.18 3.13 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 0.00 0.00 0.00 0.00 64 R 9.13 4.04 0.00 2.01 2.08 0.00 3.40 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 65 Q 8.18 4.34 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 66 T 8.18 4.23 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 1.23 0.00 0.00 67 G 8.34 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 68 R 7.73 3.74 0.00 1.93 1.94 0.00 3.12 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 69 P 0.00 4.65 0.00 2.12 2.04 0.00 3.74 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 2.04 2.10 0.00 70 H 7.86 4.87 0.00 3.16 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.61 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 0.00 0.00 0.00 72 F 7.64 4.12 0.00 3.02 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 73 L 7.58 4.75 0.00 1.68 1.62 0.99 0.99 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 R 8.91 3.93 0.00 1.84 2.01 0.00 3.41 0.00 0.00 3.48 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 75 K 7.99 3.45 0.00 1.33 1.08 0.00 1.31 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.50 0.22 7.81 76 F 7.46 4.44 0.00 2.76 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.51 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.15 5.09 0.00 1.60 1.53 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.34 4.98 0.00 3.93 3.82 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 0.00 0.00 0.00 80 R 8.25 3.66 0.00 2.03 2.13 0.00 2.80 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 81 I 8.06 3.59 1.87 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 1.64 0.51 0.90 0.00 0.00 82 K 8.52 4.01 0.00 1.77 1.84 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 83 V 7.72 3.37 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 0.59 0.00 0.00 0.62 0.00 0.00 84 R 8.08 3.84 0.00 1.85 2.11 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 85 E 7.89 3.87 0.00 2.09 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 2.61 2.46 0.00 86 A 8.19 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 3.89 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 88 M 7.86 4.30 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 89 R 7.67 4.54 0.00 1.69 1.92 0.00 3.12 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 90 G 8.46 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.07 3.75 0.00 2.24 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 2.16 2.27 0.00 92 I 7.32 4.15 1.86 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.46 1.10 0.00 0.00 93 P 0.00 4.24 0.00 2.20 1.99 0.00 3.74 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 94 G 8.78 4.02 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 0.00 0.00 0.00 95 L 7.52 4.41 0.00 1.76 1.83 1.00 0.32 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 96 K 7.96 4.43 0.00 1.85 1.75 0.00 1.55 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.52 7.81 97 K 8.60 4.04 0.00 1.79 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.44 7.81 98 A 8.22 4.75 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.49 0.00 3.88 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 0.00 100 W 8.01 4.40 0.00 3.36 3.14 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 * Residues marked with a * may have inaccurate shift predictions.