NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 5.0575 8.4293 117.7915 56.0183 30.2820 171.9519 1 M 4.6952 9.1191 119.4778 52.6478 35.2128 172.1573 2 Q 4.9502 8.2656 120.7949 54.6715 31.6828 175.3950 3 I 4.8039 8.2997 118.3952 59.1621 41.7632 173.7827 4 F 5.2948 9.0288 121.9425 55.9177 41.5484 174.9121 5 V 4.8175 8.9490 123.2377 61.0237 33.8586 174.1477 6 K 4.8021 9.1741 129.1824 54.8979 35.4597 175.0961 7 T 4.7058 8.1458 121.2845 60.2438 69.1908 175.0469 8 L 3.9467 8.7175 126.5519 58.3673 41.9844 177.7493 9 T 4.1095 7.8110 110.1995 62.3323 67.5314 173.8624 10 G 4.0890 8.2341 108.6227 46.1475 0.0000 174.7211 11 K 4.0780 7.9117 119.5490 56.8399 32.5038 175.6858 12 T 5.0618 8.3975 119.9110 61.6141 71.9246 173.2763 13 I 4.7998 8.7790 118.1092 59.3631 40.8914 174.4799 14 T 4.9468 8.4474 113.5515 60.5305 71.0549 173.7617 15 L 4.8041 8.4493 121.8855 53.2069 46.4987 175.0733 16 E 5.0209 8.7122 121.8375 55.2928 30.8503 175.7777 17 V 4.7395 8.8036 116.8568 59.9350 37.0883 173.8869 18 E 4.8659 9.1755 121.0372 53.8979 32.0173 175.9421 19 P 4.4289 0.0000 0.0000 65.5210 31.5447 178.1429 20 S 4.4443 7.8311 110.0679 58.8331 63.9328 174.2125 21 D 4.4108 8.3249 123.6847 54.7156 41.2703 176.2618 22 T 4.7196 8.2110 113.8416 61.0174 71.5123 175.9515 23 I 3.7407 8.6167 123.2098 64.4812 36.9802 178.5010 24 E 3.9231 8.1279 119.7575 59.2492 29.4824 178.4107 25 N 4.2749 8.2460 116.6760 56.4851 38.5661 177.4505 26 V 3.5774 7.8120 119.2908 66.0203 31.5477 178.1058 27 K 4.3250 8.5133 119.3646 58.9379 31.8117 179.1777 28 A 3.9991 8.2611 121.1150 55.0570 18.3676 179.8440 29 K 3.9239 8.1596 117.0863 59.5463 32.0630 179.6995 30 I 3.6910 7.9963 120.4530 64.3723 37.0572 178.0892 31 Q 4.2553 8.2687 122.0627 58.8185 28.6075 178.1389 32 D 4.3798 8.0627 118.7612 57.2183 40.9231 178.2515 33 K 4.2034 7.7654 118.4734 57.9663 32.5207 177.5513 34 E 4.6618 8.6321 116.5425 54.9296 31.3941 177.0750 35 G 3.8479 8.4808 106.5814 45.6663 0.0000 172.9556 36 I 4.2141 7.4003 120.9697 58.8000 38.1626 173.7955 37 P 4.3745 0.0000 0.0000 61.8972 32.1004 175.6758 38 P 4.3026 0.0000 0.0000 65.6953 31.4406 178.4662 39 D 4.4378 8.0405 116.1968 55.6638 39.8084 176.7628 40 Q 4.8701 8.0618 117.5827 55.1075 29.1234 174.2988 41 Q 4.9211 7.9439 118.7706 53.9959 31.6013 174.5103 42 R 4.7257 9.1454 124.3467 54.5927 32.8948 173.9631 43 L 5.1363 8.4893 126.3997 53.4412 44.1466 175.6311 44 I 5.1177 8.9247 123.6741 59.5739 41.2423 174.3709 45 F 5.0575 8.9387 127.2904 57.2017 42.9650 174.2260 46 A 3.4363 9.1003 127.3664 53.0120 15.9167 177.9038 47 G 3.8761 8.3844 105.0810 46.8232 0.0000 174.0586 48 K 4.5195 7.8686 120.1599 53.9833 34.0638 175.3476 49 Q 4.4295 8.5911 125.3127 56.2785 29.5514 175.1397 50 L 4.3808 8.7204 126.9578 53.5892 43.6089 175.7550 51 E 4.5502 9.0737 122.2682 55.0179 31.2090 176.7424 52 D 4.4256 9.2453 124.6948 57.7477 41.0289 179.3308 53 G 3.7365 8.0280 105.0555 47.2538 0.0000 173.7266 54 R 4.3393 8.0189 119.7971 55.3207 31.4002 175.9160 55 T 4.8943 8.1405 110.4149 60.3047 70.8194 176.0214 56 L 4.0117 8.3862 121.7444 57.7447 41.3106 180.0303 57 S 4.1295 8.1726 114.5040 61.3928 62.7396 176.0835 58 D 4.2201 7.7560 121.5359 56.7976 40.5554 177.4751 59 Y 4.6309 7.0698 113.5406 56.5695 38.3889 174.9489 60 N 4.1305 8.2020 117.3459 54.3467 38.0504 174.0977 61 I 3.3657 7.9472 117.9934 60.9893 36.9031 176.2774 62 Q 4.4618 8.4355 125.9465 53.5899 30.5011 175.4160 63 K 4.2674 8.2586 118.1773 58.5297 32.8358 176.8400 64 E 3.8938 9.5412 121.0542 57.0455 27.8598 174.9083 65 S 4.6012 7.9572 115.7924 59.0343 64.2832 173.2298 66 T 5.1937 8.7833 119.0180 62.0728 70.4551 173.6282 67 L 5.0307 9.5130 127.3009 53.7168 44.3189 175.2182 68 H 5.3177 9.3888 120.0295 54.1581 31.3349 173.5437 69 L 5.0985 8.8599 125.2119 53.4188 43.7131 175.5156 70 V 4.5896 8.9646 127.1534 60.6026 34.2188 174.6359 71 L 4.6288 8.6160 128.2662 55.8082 41.5958 176.2616 72 R 4.4791 8.9602 123.6263 54.3337 31.5453 175.6064 73 L 4.3466 8.3315 126.3991 55.6139 42.5133 177.8018 74 R 4.2437 8.4720 117.6410 56.7079 29.4123 176.4708 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 0 H 8.43 5.06 0.00 3.01 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.12 4.70 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 2 Q 8.27 4.95 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 3 I 8.30 4.80 1.90 0.00 0.00 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 1.26 0.69 0.86 0.00 0.00 4 F 9.03 5.29 0.00 3.05 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 5 V 8.95 4.82 2.10 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 1.03 0.00 0.00 0.94 0.00 0.00 6 K 9.17 4.80 0.00 1.72 1.33 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.30 7.81 7 T 8.15 4.71 4.25 0.00 0.00 0.00 0.00 0.00 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 8 L 8.72 3.95 0.00 1.64 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.81 4.11 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 1.24 0.00 0.00 10 G 8.23 4.09 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 0.00 0.00 0.00 11 K 7.91 4.08 0.00 1.83 1.77 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.47 7.81 12 T 8.40 5.06 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 1.42 0.00 0.00 13 I 8.78 4.80 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 1.46 1.36 0.97 0.00 0.00 14 T 8.45 4.95 4.09 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 1.22 0.00 0.00 15 L 8.45 4.80 0.00 1.50 1.48 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 5.02 0.00 1.81 1.86 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 2.19 2.22 0.00 17 V 8.80 4.74 2.14 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 0.67 0.00 0.00 0.93 0.00 0.00 18 E 9.18 4.87 0.00 1.81 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 19 P 0.00 4.43 0.00 2.14 2.09 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 20 S 7.83 4.44 0.00 3.95 3.95 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 D 8.32 4.41 0.00 2.82 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 0.00 0.00 0.00 0.00 22 T 8.21 4.72 4.42 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 1.21 0.00 0.00 23 I 8.62 3.74 2.16 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 1.85 1.04 0.92 0.00 0.00 24 E 8.13 3.92 0.00 2.12 1.95 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 2.31 2.40 0.00 25 N 8.25 4.27 0.00 3.06 2.86 0.00 0.00 6.69 7.35 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 26 V 7.81 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 27 K 8.51 4.32 0.00 2.01 1.89 0.00 1.83 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.55 7.81 28 A 8.26 4.00 1.37 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 0.00 0.00 29 K 8.16 3.92 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.71 7.81 30 I 8.00 3.69 2.17 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.91 0.00 0.00 31 Q 8.27 4.26 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 D 8.06 4.38 0.00 2.89 2.72 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 0.00 0.00 0.00 0.00 33 K 7.77 4.20 0.00 1.78 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 34 E 8.63 4.66 0.00 1.97 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 2.23 2.42 0.00 35 G 8.48 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.40 4.21 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 1.42 0.77 0.91 0.00 0.00 37 P 0.00 4.37 0.00 2.40 1.97 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.30 0.00 2.18 2.11 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.04 4.44 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 40 Q 8.06 4.87 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 41 Q 7.94 4.92 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 42 R 9.15 4.73 0.00 1.81 1.95 0.00 3.08 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.49 5.14 0.00 1.61 1.53 0.91 0.80 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 44 I 8.92 5.12 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 0.93 0.00 0.00 45 F 8.94 5.06 0.00 2.94 2.72 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 0.00 0.00 0.00 0.00 46 A 9.10 3.44 0.83 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 0.00 0.00 47 G 8.38 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.52 0.00 1.88 1.72 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.52 7.81 49 Q 8.59 4.43 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.72 4.38 0.00 1.40 1.25 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.07 4.55 0.00 2.08 1.93 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 2.33 2.41 0.00 52 D 9.25 4.43 0.00 2.72 2.77 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 53 G 8.03 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 0.00 0.00 0.00 54 R 8.02 4.34 0.00 2.14 1.75 0.00 3.17 0.00 0.00 2.86 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 55 T 8.14 4.89 4.47 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 0.00 0.00 0.00 1.26 0.00 0.00 56 L 8.39 4.01 0.00 1.83 1.70 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.17 4.13 0.00 4.04 4.09 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 58 D 7.76 4.22 0.00 2.66 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 0.00 0.00 0.00 59 Y 7.07 4.63 0.00 3.10 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 60 N 8.20 4.13 0.00 2.88 3.00 0.00 0.00 7.13 8.45 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 61 I 7.95 3.37 1.78 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.23 0.63 0.00 0.00 62 Q 8.44 4.46 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.99 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 63 K 8.26 4.27 0.00 1.84 1.81 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.49 7.81 64 E 9.54 3.89 0.00 2.20 2.40 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 2.27 2.50 0.00 65 S 7.96 4.60 0.00 3.86 3.83 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 66 T 8.78 5.19 4.36 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 1.22 0.00 0.00 67 L 9.51 5.03 0.00 1.59 1.61 0.86 0.67 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 68 H 9.39 5.32 0.00 3.03 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 5.10 0.00 1.59 1.56 0.93 0.77 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 70 V 8.96 4.59 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 0.96 0.00 0.00 0.94 0.00 0.00 71 L 8.62 4.63 0.00 1.67 1.66 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.96 4.48 0.00 1.84 1.84 0.00 3.28 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 73 L 8.33 4.35 0.00 1.68 1.61 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.47 4.24 0.00 1.94 2.12 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00