NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.8171 8.3249 119.4041 57.6089 40.3476 174.4004 4 R 4.3021 8.6728 122.0766 56.7898 31.9130 175.4047 5 I 4.1099 8.6949 121.0773 61.3327 39.0101 175.3141 6 R 5.1839 9.1494 125.8048 54.2009 34.1400 174.6396 7 K 4.6381 9.2679 122.3226 54.5023 35.7986 174.8351 8 C 4.4967 8.7332 128.2173 58.7671 31.9746 172.8262 9 P 4.2410 0.0000 0.0000 64.7189 31.2518 177.4256 10 K 4.1256 7.8383 119.1805 58.1141 32.5155 176.9480 11 C 4.3574 7.9408 111.8027 57.6665 30.6970 174.5956 12 G 3.7596 7.8307 108.7460 45.3480 0.0000 173.3578 13 R 4.0660 7.5769 120.6612 56.3425 31.2337 174.8720 14 Y 4.7862 8.5849 124.0338 57.7144 39.1336 174.5570 15 T 4.6783 9.0170 117.3472 61.5583 71.2953 173.7943 16 L 4.6570 8.5695 123.0188 54.8693 42.6667 177.4968 17 K 4.3642 7.8654 118.4920 55.9106 33.0042 176.9424 18 E 4.2862 8.6109 120.3725 57.7890 30.8381 176.8849 19 V 4.7707 7.5481 112.3364 59.0200 34.1872 175.5667 20 C 4.2108 9.0932 127.0247 59.2955 31.8858 172.7443 21 P 4.4501 0.0000 0.0000 64.5102 31.6122 177.3711 22 V 3.9645 7.8104 118.6308 64.7957 31.9484 176.0959 23 C 4.5697 8.1520 110.6066 57.4122 30.9786 174.6639 24 G 3.9167 8.1061 108.4845 44.9609 0.0000 173.2282 25 E 4.2005 7.7155 120.9533 55.4843 31.1805 175.8936 26 K 4.6514 8.5696 125.7285 56.9086 32.4110 177.0721 27 T 4.3774 9.0894 116.3648 61.2017 70.8257 173.7288 28 K 4.7849 8.7397 121.1482 54.0169 36.3310 176.0382 29 V 3.9311 8.4594 122.0530 63.4535 31.3268 176.2567 30 A 4.1055 8.8226 130.7130 54.7246 18.6855 177.5798 31 H 4.5474 7.6267 112.3757 54.1522 29.8282 173.6173 32 P 4.4858 0.0000 0.0000 61.3849 31.9355 174.6250 33 P 4.5154 0.0000 0.0000 62.0474 32.0423 176.1783 34 R 3.9893 8.5378 119.4559 56.8482 30.3595 175.4530 35 F 5.0015 8.7280 126.1977 56.2670 42.1987 174.1039 36 S 4.4921 6.8901 119.7440 55.2989 64.9582 173.2189 37 P 4.3392 0.0000 0.0000 65.5364 31.3568 177.5434 38 E 3.8016 7.9523 117.8871 57.9256 30.2481 176.7956 39 D 4.1158 7.4743 116.6561 54.5471 39.5413 172.6467 40 P 4.1394 0.0000 0.0000 64.9527 32.1826 177.5413 41 Y 5.0447 7.6876 116.0859 57.5737 38.8251 177.5736 42 G 3.7631 8.1190 110.1588 47.9939 0.0000 175.7614 43 E 3.8278 8.1727 121.0446 59.3919 29.5338 178.3827 44 Y 4.2705 7.8506 116.0337 60.6869 38.1409 177.7467 45 R 4.2440 8.4722 119.8980 59.6599 30.1821 178.8676 46 R 4.0117 8.5308 118.1750 59.0173 29.6730 179.0056 47 R 3.9360 7.9845 118.6487 58.9819 30.0631 178.4194 48 W 4.2959 8.2642 127.9289 60.4271 30.7360 177.9482 49 K 3.1042 8.2824 119.6964 59.2646 31.5079 178.9433 50 R 3.8592 8.2666 118.7976 59.2041 29.1544 178.6958 51 E 3.8794 7.8050 117.8583 59.0422 29.3955 179.0807 52 V 3.5502 7.2396 117.4565 66.0366 31.6953 177.8359 53 L 4.1380 7.8969 117.6161 55.6939 41.4618 178.1111 54 G 3.9181 7.3468 106.7173 45.5110 0.0000 173.4810 55 I 3.9275 7.6795 125.9326 61.2435 37.1107 175.9041 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 3 F 8.32 4.82 0.00 3.13 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 4 R 8.67 4.30 0.00 1.94 2.02 0.00 3.40 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 5 I 8.69 4.11 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 1.07 0.00 0.00 6 R 9.15 5.18 0.00 1.92 1.85 0.00 3.09 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 7 K 9.27 4.64 0.00 1.25 1.34 0.00 1.18 0.00 0.00 1.34 0.00 0.00 2.60 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.93 0.28 7.81 8 C 8.73 4.50 0.00 2.98 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 9 P 0.00 4.24 0.00 2.06 2.07 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 10 K 7.84 4.13 0.00 1.69 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.40 7.81 11 C 7.94 4.36 0.00 3.09 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 12 G 7.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.58 4.07 0.00 1.94 1.78 0.00 3.26 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 14 Y 8.58 4.79 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 9.02 4.68 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 1.27 0.00 0.00 16 L 8.57 4.66 0.00 1.70 1.72 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.87 4.36 0.00 1.81 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.42 7.81 18 E 8.61 4.29 0.00 1.93 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 2.41 2.19 0.00 19 V 7.55 4.77 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 0.68 0.00 0.00 0.93 0.00 0.00 20 C 9.09 4.21 0.00 3.02 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 21 P 0.00 4.45 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 22 V 7.81 3.96 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 0.85 0.00 0.00 0.94 0.00 0.00 23 C 8.15 4.57 0.00 3.08 2.98 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 24 G 8.11 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 0.00 0.00 0.00 25 E 7.72 4.20 0.00 2.10 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 2.36 2.39 0.00 26 K 8.57 4.65 0.00 1.68 1.75 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.39 7.81 27 T 9.09 4.38 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 1.30 0.00 0.00 28 K 8.74 4.78 0.00 1.64 1.69 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.33 7.81 29 V 8.46 3.93 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 0.89 0.00 0.00 1.00 0.00 0.00 30 A 8.82 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.63 4.55 0.00 2.54 2.78 0.00 5.71 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 32 P 0.00 4.49 0.00 2.05 1.98 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 33 P 0.00 4.52 0.00 2.25 2.10 0.00 3.82 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 2.07 2.02 0.00 34 R 8.54 3.99 0.00 1.86 1.96 0.00 3.21 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 35 F 8.73 5.00 0.00 3.00 2.93 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 36 S 6.89 4.49 0.00 3.68 3.35 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 37 P 0.00 4.34 0.00 2.22 2.25 0.00 3.71 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 1.95 2.01 0.00 38 E 7.95 3.80 0.00 1.90 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 2.29 2.19 0.00 39 D 7.47 4.12 0.00 2.75 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 40 P 0.00 4.14 0.00 1.27 1.87 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 41 Y 7.69 5.04 0.00 3.19 3.09 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 0.00 0.00 0.00 42 G 8.12 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.17 3.83 0.00 1.85 1.46 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 1.90 2.19 0.00 44 Y 7.85 4.27 0.00 3.38 3.06 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 45 R 8.47 4.24 0.00 2.09 2.26 0.00 3.38 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 46 R 8.53 4.01 0.00 2.00 1.98 0.00 3.20 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 47 R 7.98 3.94 0.00 2.05 2.21 0.00 3.21 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 48 W 8.26 4.30 0.00 3.43 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 49 K 8.28 3.10 0.00 1.84 1.79 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.02 7.81 50 R 8.27 3.86 0.00 1.90 2.09 0.00 3.17 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 1.61 1.77 0.00 51 E 7.81 3.88 0.00 2.09 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 0.00 2.31 2.32 0.00 52 V 7.24 3.55 1.68 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 0.68 0.00 0.00 0.45 0.00 0.00 53 L 7.90 4.14 0.00 1.57 1.63 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.35 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 0.00 0.00 0.00 55 I 7.68 3.93 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.53 0.89 0.00 0.00