NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2406 8.3149 119.9939 56.6704 34.0155 175.0530 7 E 4.3854 8.3304 119.3399 54.5708 33.2390 172.9349 8 L 5.2093 9.3606 125.9190 53.2038 45.2910 175.7604 9 V 5.0306 8.8105 114.1860 59.6214 36.4767 174.0840 10 L 5.0786 8.8173 124.9131 53.1907 44.2473 175.3254 11 A 4.4720 9.0204 129.2186 52.2129 18.5979 178.0543 12 L 3.8339 8.9847 124.1109 56.9477 42.3863 176.8495 13 Y 4.8656 7.5153 113.7117 55.7149 42.1772 175.0827 14 D 4.8523 8.8111 120.6845 54.9776 42.0798 175.5455 15 Y 4.8932 9.1282 122.5927 56.3448 42.4625 173.4805 16 Q 4.8989 8.0212 125.7241 53.6578 30.5243 175.3974 17 E 4.3466 8.7521 122.8751 56.7924 29.9903 177.1564 18 K 4.5674 9.4336 120.0250 56.0062 34.0771 175.6973 19 S 4.6594 7.4828 112.7511 56.3104 65.7479 173.3527 20 P 4.3330 0.0000 0.0000 65.1407 31.2725 177.4245 21 D 4.6749 7.7618 115.8842 54.0009 39.9810 175.8425 22 E 5.4020 7.8897 120.0240 55.5557 31.2608 175.4521 23 V 4.7081 8.4061 119.7944 60.4544 34.8931 174.8121 24 T 5.0865 8.5999 117.7590 62.5591 70.0858 174.1376 25 M 5.0355 9.1894 121.8077 53.6861 35.5018 173.9517 26 K 5.0698 9.2391 119.1708 54.0128 35.4156 175.9898 27 K 3.9770 9.3062 124.8967 58.6259 32.3394 177.1944 28 G 3.9864 8.9018 114.8817 45.0030 0.0000 173.4041 29 D 4.5571 8.1360 120.2275 54.4689 42.2362 175.4643 30 I 4.8496 8.3100 122.5867 59.9109 38.7253 174.9854 31 L 4.9178 8.9801 127.6520 53.1877 45.1273 175.8120 32 T 4.6751 8.3132 118.7157 62.5749 69.9224 173.8922 33 L 4.3581 8.8161 130.3340 55.1117 42.0148 176.0575 34 L 4.4541 8.7909 126.8010 56.2186 43.6371 176.9647 35 N 4.6486 7.7052 117.8635 52.3423 41.9704 174.9366 36 S 4.1153 8.1748 121.7421 57.8245 63.4084 175.4838 37 T 3.9802 8.3082 114.3291 64.9054 67.7885 174.2907 38 N 4.8109 8.1672 120.8846 52.4131 39.8650 175.6755 39 K 4.4102 8.7731 123.6590 59.0368 33.4706 177.1971 40 D 4.5054 7.7575 116.3727 54.3849 43.2608 176.5550 41 W 5.1518 8.1691 117.0381 54.5967 32.4267 174.9715 42 W 5.3859 9.3492 124.7014 54.8550 31.9871 174.7323 43 K 4.1911 8.9817 125.5560 55.6216 33.0451 175.9940 44 V 4.9666 8.9227 119.8041 59.6741 36.9313 173.6539 45 E 5.0707 9.2230 123.2906 54.5144 32.0277 174.7099 46 V 4.2091 8.8537 127.0065 63.5163 34.2542 177.1510 47 N 3.8569 9.2847 125.5900 54.9063 39.3587 173.8215 48 D 4.8512 9.2736 113.9119 53.9947 42.7984 175.8369 49 R 4.7956 8.1578 119.3903 54.4727 32.9729 175.0872 50 Q 5.0522 8.5191 120.3014 53.9941 32.2455 175.3793 51 G 3.9163 7.9962 107.6289 46.7662 0.0000 171.3569 52 F 5.3963 8.5878 118.4260 56.4185 41.2133 175.9993 53 V 4.9590 8.8945 114.1734 58.7525 36.7755 173.2956 54 P 3.3049 0.0000 0.0000 61.8230 31.4948 177.9338 55 A 2.9591 7.8287 126.3727 54.6289 18.2609 179.5434 56 A 3.8418 7.1327 117.3335 54.8182 18.7681 177.5865 57 Y 4.8804 7.5577 112.5908 58.5170 38.2623 175.0775 58 V 5.0452 7.2755 112.6832 59.2947 35.9911 174.8926 59 K 4.6385 8.6932 122.7375 54.3344 35.0470 175.6410 60 K 4.4745 9.0926 127.1025 56.6898 32.9042 176.9631 61 L 4.3899 8.4188 123.3503 54.8571 41.4436 176.4211 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 6 K 8.31 4.24 0.00 1.87 1.87 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.46 7.81 7 E 8.33 4.39 0.00 1.90 1.78 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 2.24 2.35 0.00 8 L 9.36 5.21 0.00 1.59 1.56 0.92 0.88 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 9 V 8.81 5.03 2.28 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 0.88 0.00 0.00 1.11 0.00 0.00 10 L 8.82 5.08 0.00 1.73 1.51 0.96 0.96 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 11 A 9.02 4.47 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 12 L 8.98 3.83 0.00 1.09 0.98 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.52 4.87 0.00 2.55 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 14 D 8.81 4.85 0.00 2.63 2.67 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 0.00 0.00 0.00 0.00 15 Y 9.13 4.89 0.00 3.33 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 16 Q 8.02 4.90 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 17 E 8.75 4.35 0.00 2.07 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 2.32 2.32 0.00 18 K 9.43 4.57 0.00 1.89 1.84 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.43 7.81 19 S 7.48 4.66 0.00 3.89 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 20 P 0.00 4.33 0.00 2.06 2.16 0.00 3.64 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 2.01 2.06 0.00 21 D 7.76 4.67 0.00 3.15 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 22 E 7.89 5.40 0.00 2.18 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 0.00 2.53 2.23 0.00 23 V 8.41 4.71 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 0.82 0.00 0.00 0.99 0.00 0.00 24 T 8.60 5.09 4.30 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 1.30 0.00 0.00 25 M 9.19 5.04 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 26 K 9.24 5.07 0.00 1.87 1.75 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.38 7.81 27 K 9.31 3.98 0.00 1.66 1.74 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.36 7.81 28 G 8.90 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 0.00 0.00 0.00 29 D 8.14 4.56 0.00 2.73 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 30 I 8.31 4.85 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 1.35 0.85 0.92 0.00 0.00 31 L 8.98 4.92 0.00 1.64 1.69 1.02 0.52 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 32 T 8.31 4.68 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 1.19 0.00 0.00 33 L 8.82 4.36 0.00 1.58 1.62 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.79 4.45 0.00 1.55 1.61 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.71 4.65 0.00 2.69 2.61 0.00 0.00 6.75 7.63 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 36 S 8.17 4.12 0.00 2.72 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 37 T 8.31 3.98 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 38 N 8.17 4.81 0.00 3.00 3.25 0.00 0.00 7.00 6.75 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 39 K 8.77 4.41 0.00 1.96 2.00 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 40 D 7.76 4.51 0.00 2.67 2.39 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 41 W 8.17 5.15 0.00 3.14 3.27 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 42 W 9.35 5.39 0.00 3.27 2.94 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 43 K 8.98 4.19 0.00 1.21 1.44 0.00 1.37 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.06 0.48 7.81 44 V 8.92 4.97 2.17 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 0.76 0.00 0.00 1.02 0.00 0.00 45 E 9.22 5.07 0.00 1.95 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 2.31 2.34 0.00 46 V 8.85 4.21 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 1.06 0.00 0.00 0.99 0.00 0.00 47 N 9.28 3.86 0.00 2.79 2.50 0.00 0.00 7.12 8.47 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 48 D 9.27 4.85 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 49 R 8.16 4.80 0.00 1.86 1.83 0.00 3.08 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 50 Q 8.52 5.05 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.97 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 51 G 8.00 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 52 F 8.59 5.40 0.00 3.06 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 53 V 8.89 4.96 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 0.91 0.00 0.00 0.98 0.00 0.00 54 P 0.00 3.30 0.00 0.49 0.54 0.00 2.65 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.58 0.00 55 A 7.83 2.96 -0.03 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 0.00 0.00 56 A 7.13 3.84 1.17 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 0.00 0.00 57 Y 7.56 4.88 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.28 5.05 2.17 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 0.71 0.00 0.00 1.01 0.00 0.00 59 K 8.69 4.64 0.00 1.79 1.61 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 K 9.09 4.47 0.00 1.79 1.79 0.00 1.87 0.00 0.00 1.80 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.79 7.81 61 L 8.42 4.39 0.00 1.54 1.56 0.93 0.68 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