NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2616 8.2493 123.5795 52.0697 19.7947 175.6921 2 D 4.7717 8.2426 120.2719 49.7521 42.2507 169.9495 3 V 3.7786 8.4550 118.8942 63.5578 32.2969 176.8536 4 V 3.5925 9.0577 128.5489 65.5290 31.5931 173.4993 5 T 3.3124 7.9991 124.2816 63.2848 66.1198 171.0623 6 Y 4.2787 8.4291 124.9986 57.0783 38.1830 174.9825 7 E 5.0195 8.5512 124.9861 54.4380 30.3549 175.5536 8 N 5.0874 8.5380 120.0200 51.1000 42.7829 175.6144 9 A 3.9056 8.7064 123.1641 54.8570 18.6157 178.4000 10 A 4.3123 7.8896 116.5946 51.6282 19.1495 176.4414 11 G 4.2467 7.7683 104.8535 44.7423 0.0000 174.5167 12 N 4.9264 8.8506 120.7571 53.1238 39.3021 175.8545 13 V 4.6276 7.8194 115.9872 59.4000 32.7529 175.6849 14 T 3.4238 8.0261 116.4759 64.6741 64.9827 171.2407 15 F 4.3136 8.0516 121.1874 57.0875 37.5980 174.2771 16 D 4.5879 7.8869 126.8492 53.3408 38.9455 176.5884 17 H 4.0420 8.3036 121.7541 58.7309 30.4163 176.6701 18 K 4.1826 7.8338 119.6828 58.8502 32.5450 178.2689 19 A 4.0472 7.8696 120.2586 55.4552 18.4502 179.2515 20 H 4.0570 8.1156 114.1554 59.0561 28.7976 177.5202 21 A 4.0241 8.1660 122.0134 55.7186 17.8433 179.1242 22 E 3.8661 8.3676 115.9172 59.1936 29.5287 179.1341 23 K 4.3063 7.1720 115.2884 58.3005 33.0647 178.7498 24 L 4.1727 8.0646 118.4881 58.2221 41.7253 179.2161 25 G 4.0820 8.1398 106.0497 45.7721 0.0000 174.1877 26 C 4.2275 8.4310 122.6383 60.7964 27.0242 175.1987 27 D 4.7436 8.3695 117.3116 56.1222 38.7903 178.7369 28 A 4.0853 8.0299 121.3331 54.3239 18.1798 177.5908 29 C 4.5830 8.1152 110.2660 59.8664 29.4003 174.2103 30 H 4.6532 8.4949 118.7218 55.0441 30.4811 172.8523 31 E 4.4288 8.5054 125.9187 56.5191 26.8034 176.5616 32 G 4.1126 8.3832 115.0633 45.7711 0.0000 172.2079 33 T 4.3100 7.4751 123.2398 60.4383 68.0293 172.9697 34 P 4.1491 0.0000 0.0000 62.5926 32.0952 175.5690 35 A 4.4586 7.7361 121.9162 51.2551 21.7405 177.3259 36 K 4.3502 8.3481 119.7310 55.7650 30.9546 175.4923 37 I 3.6480 8.0432 126.5719 61.8533 37.6014 175.8671 38 A 4.1906 8.7016 129.0047 52.1913 18.4790 176.3150 39 I 4.5751 8.3050 124.2178 59.9609 39.4955 174.8516 40 D 4.7360 8.0768 122.3247 52.6687 41.6247 175.7725 41 K 4.6778 8.6491 116.7874 57.5715 32.5192 177.0160 42 K 4.4551 8.4612 117.2894 59.1199 34.1223 178.3640 43 S 4.0679 9.1360 114.8922 61.8561 62.7384 176.7872 44 A 4.3763 8.0294 119.2858 53.3600 18.1904 177.5063 45 H 4.6518 8.1075 111.9534 56.1484 30.5075 175.8720 46 K 4.2021 7.7360 118.4328 58.2281 32.9091 176.5670 47 D 4.7276 8.6670 113.2503 54.8720 45.1952 175.6624 48 A 4.0780 7.9255 121.8292 53.9626 18.8970 176.4082 49 C 3.9292 8.7566 125.3865 61.1323 26.6759 175.2934 50 K 3.7202 7.6752 117.5022 60.6259 31.4546 179.1608 51 T 3.8364 8.4557 115.7394 66.6263 68.3052 176.2425 52 C 4.0404 8.0457 120.3131 62.8443 31.5707 174.8080 53 H 3.9525 8.3038 117.5998 59.1859 28.1518 177.5961 54 K 3.9546 8.5603 119.1606 58.7951 31.9389 178.4682 55 S 4.7874 7.8773 111.3754 57.1044 63.8391 173.1312 56 N 5.0301 7.2326 115.4389 50.9645 42.8284 175.3608 57 N 4.6852 8.5357 118.7992 52.5618 36.6097 173.2865 58 G 4.1241 7.1695 107.4641 43.0820 0.0000 168.6786 59 P 4.5489 0.0000 0.0000 62.9667 32.0333 175.9598 60 T 4.4625 8.1636 110.4047 62.9929 70.7507 174.5669 61 K 4.1438 7.9407 121.3378 56.0647 32.8675 176.3245 62 C 3.8189 8.7552 121.1867 63.8538 28.2634 176.2879 63 G 3.9095 8.1247 104.6548 46.0861 0.0000 173.8943 64 G 4.0441 8.2434 107.3890 45.2319 0.0000 173.6276 65 C 4.6267 7.8451 118.7298 61.0647 34.1041 173.5257 66 H 4.7819 8.6127 116.8237 55.1561 29.2477 175.4608 67 I 3.9753 8.7813 124.5933 61.8901 38.5067 176.5722 68 K 4.1005 8.2903 122.5402 57.5702 31.9852 175.5188 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 8.25 4.26 1.11 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 0.00 0.00 2 D 8.24 4.77 0.00 2.87 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 3 V 8.46 3.78 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 0.79 0.00 0.00 0.97 0.00 0.00 4 V 9.06 3.59 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.12 0.00 0.00 5 T 8.00 3.31 4.29 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 1.26 0.00 0.00 6 Y 8.43 4.28 0.00 2.87 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 7 E 8.55 5.02 0.00 1.94 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 2.29 2.45 0.00 8 N 8.54 5.09 0.00 2.78 2.71 0.00 0.00 7.45 8.09 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 9 A 8.71 3.91 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 10 A 7.89 4.31 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 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 0.00 0.00 0.00 0.00 12 N 8.85 4.93 0.00 2.82 2.97 0.00 0.00 6.66 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 4.63 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 1.17 0.00 0.00 0.76 0.00 0.00 14 T 8.03 3.42 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 15 F 8.05 4.31 0.00 3.01 2.96 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 0.00 0.00 0.00 16 D 7.89 4.59 0.00 2.60 2.75 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 0.00 0.00 0.00 0.00 17 H 8.30 4.04 0.00 3.34 3.46 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.83 4.18 0.00 2.09 1.75 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.68 7.81 19 A 7.87 4.05 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 20 H 8.12 4.06 0.00 3.36 3.33 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.17 4.02 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 0.00 0.00 0.00 0.00 0.00 22 E 8.37 3.87 0.00 2.08 2.06 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 2.49 2.58 0.00 23 K 7.17 4.31 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 24 L 8.06 4.17 0.00 1.63 1.72 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.14 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.43 4.23 0.00 3.21 3.15 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 0.00 0.00 0.00 0.00 27 D 8.37 4.74 0.00 2.83 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 28 A 8.03 4.09 1.30 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 0.00 0.00 0.00 29 C 8.12 4.58 0.00 2.83 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 30 H 8.49 4.65 0.00 3.27 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.51 4.43 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 2.32 2.32 0.00 32 G 8.38 4.11 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 0.00 0.00 0.00 33 T 7.48 4.31 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 1.21 0.00 0.00 34 P 0.00 4.15 0.00 1.97 1.83 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 35 A 7.74 4.46 1.23 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 0.00 0.00 36 K 8.35 4.35 0.00 1.94 1.92 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.49 7.81 37 I 8.04 3.65 1.94 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 1.39 0.81 0.94 0.00 0.00 38 A 8.70 4.19 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 39 I 8.30 4.58 2.18 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.19 1.02 0.00 0.00 40 D 8.08 4.74 0.00 2.85 2.84 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 41 K 8.65 4.68 0.00 1.81 1.98 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 K 8.46 4.46 0.00 1.87 1.84 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.49 7.81 43 S 9.14 4.07 0.00 3.93 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 44 A 8.03 4.38 1.23 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 0.00 0.00 45 H 8.11 4.65 0.00 3.23 3.37 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.74 4.20 0.00 1.75 1.81 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.55 7.81 47 D 8.67 4.73 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.08 1.25 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 0.00 0.00 0.00 49 C 8.76 3.93 0.00 2.95 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 50 K 7.68 3.72 0.00 1.70 1.83 0.00 1.65 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.53 7.81 51 T 8.46 3.84 4.34 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 1.22 0.00 0.00 52 C 8.05 4.04 0.00 2.97 3.07 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 53 H 8.30 3.95 0.00 3.45 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.56 3.95 0.00 1.87 1.88 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.53 7.81 55 S 7.88 4.79 0.00 3.82 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 56 N 7.23 5.03 0.00 2.67 2.55 0.00 0.00 6.85 7.96 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 57 N 8.54 4.69 0.00 2.68 2.77 0.00 0.00 6.64 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 58 G 7.17 4.12 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 0.00 59 P 0.00 4.55 0.00 2.35 2.07 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 60 T 8.16 4.46 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 1.22 0.00 0.00 61 K 7.94 4.14 0.00 1.84 1.67 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.47 7.81 62 C 8.76 3.82 0.00 3.05 3.02 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 63 G 8.12 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.24 4.04 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 0.00 0.00 0.00 65 C 7.85 4.63 0.00 2.91 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 66 H 8.61 4.78 0.00 3.25 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.78 3.98 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.94 0.00 0.00 68 K 8.29 4.10 0.00 1.83 1.73 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.44 7.81