NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2480 8.3044 120.3497 54.5621 33.2917 173.8287 2 K 3.5266 8.6443 124.3474 56.2240 31.5797 174.9813 3 R 4.3558 8.0951 126.2975 55.6946 32.0808 176.3527 4 T 4.1696 8.3269 107.5507 62.8159 69.3208 175.0305 5 F 4.7086 7.9753 124.6766 56.9254 38.1175 173.8080 6 Q 4.0438 7.8196 125.0246 52.5869 27.8270 173.9731 7 P 3.6429 0.0000 0.0000 63.1325 31.8247 177.1655 8 S 4.3137 8.0358 109.5457 56.6367 65.1942 176.7327 9 V 3.7396 8.2741 130.8538 64.5441 31.2954 177.8836 10 L 3.9386 7.9007 120.5641 58.0864 41.8994 179.0656 11 K 3.9796 7.7377 117.2660 59.3769 32.0825 179.0139 12 R 3.9960 8.3716 119.5360 60.0133 29.8507 178.1652 13 N 4.4594 8.3320 115.7473 56.3385 38.4091 177.7508 14 R 3.9421 7.9360 118.5109 58.8342 30.1587 178.4687 15 S 4.5380 8.2233 113.7482 59.7312 63.6932 174.8344 16 H 4.8818 7.7774 114.5745 55.1192 29.9147 173.7676 17 G 3.9337 8.1562 110.3170 44.9143 0.0000 175.0839 18 F 4.1120 8.8301 120.5709 61.3313 39.4007 177.2334 19 R 4.1097 8.1653 116.9876 58.8182 29.8481 178.6066 20 A 3.9978 7.9195 119.6804 54.8443 18.7469 179.1065 21 R 3.8936 7.9081 117.2763 59.8949 29.7886 178.3378 22 M 4.0552 7.7738 116.4716 57.1355 31.8836 176.5639 23 A 4.5416 7.2086 119.5008 51.5145 19.5982 176.4495 24 T 4.4168 7.3720 111.6344 60.5083 71.1061 174.2741 25 K 3.8543 8.8895 129.1468 60.1058 31.8550 178.4696 26 N 4.4676 7.7558 115.3259 55.8858 38.9485 177.2010 27 G 4.3813 7.9831 107.9568 47.4950 0.0000 175.2642 28 R 3.8884 8.3365 121.4315 59.2266 30.1488 179.1494 29 Q 4.0200 7.8695 116.8683 58.5753 28.5792 179.0663 30 V 3.5380 8.1166 119.9442 65.9426 31.6485 178.0203 31 L 3.9240 7.8511 117.9813 57.6601 41.5236 178.8652 32 A 3.9644 7.9778 120.6824 55.4821 18.3537 179.7083 33 R 3.8597 7.9098 116.0305 59.7303 30.1908 179.5786 34 R 3.9509 8.1238 117.5627 59.4094 29.9514 179.4132 35 R 3.9251 8.6432 117.9613 59.1356 29.7948 178.8084 36 A 4.0691 7.8915 119.5631 54.1199 18.5623 178.7587 37 K 4.2082 7.7873 116.5527 56.7593 32.4334 177.4675 38 G 3.8487 7.5238 106.6633 45.8498 0.0000 173.5859 39 R 3.9192 7.7219 118.7422 56.5873 30.3629 176.3049 40 A 4.4460 8.4063 123.9842 52.9608 19.4313 178.0508 41 R 4.5518 7.4147 114.1609 53.4434 31.3266 175.1956 42 L 3.9556 8.6306 122.3738 57.5188 42.0174 178.8025 43 T 4.3393 7.7399 103.1308 61.4021 71.3683 174.4637 44 V 3.8297 8.4761 120.5881 63.3670 31.9047 168.6982 45 S 4.6172 8.0818 127.7680 57.8748 64.3623 174.1989 46 K 4.1261 8.7323 126.3548 57.7336 31.9782 176.9285 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 M 8.30 4.25 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 K 8.64 3.53 0.00 1.83 1.79 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 R 8.10 4.36 0.00 1.87 1.93 0.00 3.44 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 4 T 8.33 4.17 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 1.24 0.00 0.00 5 F 7.98 4.71 0.00 2.97 3.08 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 6 Q 7.82 4.04 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 7 P 0.00 3.64 0.00 2.05 1.83 0.00 3.45 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 8 S 8.04 4.31 0.00 3.80 3.69 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 9 V 8.27 3.74 2.11 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 0.80 0.00 0.00 0.97 0.00 0.00 10 L 7.90 3.94 0.00 1.78 1.71 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.74 3.98 0.00 1.91 1.86 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 12 R 8.37 4.00 0.00 1.93 2.18 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 13 N 8.33 4.46 0.00 2.86 2.88 0.00 0.00 7.08 6.94 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 14 R 7.94 3.94 0.00 2.06 2.00 0.00 3.16 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 15 S 8.22 4.54 0.00 3.73 3.62 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 16 H 7.78 4.88 0.00 3.07 3.27 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.16 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 18 F 8.83 4.11 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 19 R 8.17 4.11 0.00 1.98 2.03 0.00 3.26 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 20 A 7.92 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 21 R 7.91 3.89 0.00 2.04 1.76 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 22 M 7.77 4.06 0.00 2.10 1.60 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 23 A 7.21 4.54 1.35 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 0.00 0.00 24 T 7.37 4.42 4.22 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 0.00 0.00 0.00 1.26 0.00 0.00 25 K 8.89 3.85 0.00 1.88 1.82 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.62 7.81 26 N 7.76 4.47 0.00 2.67 2.83 0.00 0.00 7.02 7.50 0.00 0.00 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 G 7.98 4.38 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 0.00 28 R 8.34 3.89 0.00 2.04 1.98 0.00 3.10 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 1.57 1.76 0.00 29 Q 7.87 4.02 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 30 V 8.12 3.54 2.25 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 1.01 0.00 0.00 0.96 0.00 0.00 31 L 7.85 3.92 0.00 1.79 1.67 0.52 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.98 3.96 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 33 R 7.91 3.86 0.00 2.06 1.99 0.00 3.13 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.99 0.00 34 R 8.12 3.95 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 35 R 8.64 3.93 0.00 1.96 1.99 0.00 3.14 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 36 A 7.89 4.07 1.39 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 0.00 0.00 37 K 7.79 4.21 0.00 1.80 1.98 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 38 G 7.52 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 39 R 7.72 3.92 0.00 1.96 1.88 0.00 3.30 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 40 A 8.41 4.45 1.28 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 0.00 0.00 0.00 41 R 7.41 4.55 0.00 1.83 1.83 0.00 3.17 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 42 L 8.63 3.96 0.00 1.75 1.86 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.74 4.34 4.35 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 1.32 0.00 0.00 44 V 8.48 3.83 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 0.94 0.00 0.00 45 S 8.08 4.62 0.00 3.83 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.73 4.13 0.00 1.71 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81